Uniprot accession / id : P03951  OR   Uniprot accession / id : Q5NTB3  OR   Uniprot accession / id : Q91Y47
 
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Entry Information
Entry status  (1)
REL
(114)
 
Experimental methods  (2)
X-ray diffraction
(112)
Solution NMR
(2)
 
Authors  (380)
Luettgen JM
(41)
Rossi KA
(41)
Wexler RR
(41)
Bozarth JM
(38)
Seiffert DA
(38)
Myers JE
(34)
Sheriff S
(34)
Corte JR
(31)
Quan ML
(31)
Fang T
(28)
Zheng JJ
(26)
Wu Y
(24)
Harper TW
(23)
Jin L
(23)
Lou Z
(21)
Lam PYS
(20)
Strickler JE
(19)
Babine RE
(18)
Ramamurthy V
(17)
Wei A
(17)
Wong PC
(17)
Abdel-Meguid SS
(16)
Bibbins F
(16)
Osuna H
(16)
Ewing WR
(15)
Rendina AR
(14)
Oster L
(13)
Pinto DJP
(13)
Crain EJ
(12)
Olsson T
(12)
Pinto DJ
(12)
Sandmark J
(12)
Wang C
(12)
Morin PE
(11)
Orwat MJ
(11)
Pandey P
(11)
Rynkiewicz M
(11)
Wang Y
(11)
Yang W
(11)
Bruinzeel W
(10)
Cedervall PE
(10)
Chintala M
(10)
DesJarlais RL
(10)
Devine ZH
(10)
Du F
(10)
Gaul MD
(10)
Gilligan PJ
(10)
Li Q
(10)
Liu Z
(10)
Lu T
(10)
Macielag MJ
(10)
Mathur A
(10)
Meyers HV
(10)
Milligan CM
(10)
Myers Jr JE
(10)
Nargund R
(10)
Pietrak B
(10)
Shaffer P
(10)
Shaffer PL
(10)
Silva J
(10)
Smallheer JM
(10)
Smith LM
(10)
Spurlino JC
(10)
Steele RA
(10)
Stratton CF
(10)
Szewczuk LM
(10)
Thieu T
(10)
Wang X
(10)
Wong V
(10)
Xu G
(10)
Zhang J
(10)
Akkaya S
(9)
Beisel H
(9)
Beisel HG
(9)
Eriksson P
(9)
Eriksson PO
(9)
Erixon K
(9)
Fjellstrom O
(9)
Fjellström O
(9)
Gustafsson D
(9)
Jurva U
(9)
Kang D
(9)
Karis D
(9)
Knecht W
(9)
Nerme V
(9)
Nilsson I
(9)
Quinn J
(9)
Redzic A
(9)
Roth R
(9)
Rynkiewicz MJ
(9)
Tigerstrom A
(9)
Tigerström A
(9)
Öster L
(9)
Gorga J
(8)
Gorga JC
(8)
Han W
(8)
Hu Z
(8)
Lai A
(8)
Nagafuji P
(8)
Xin B
(8)
 
More...
 
Homo / hetero assembly  (2)
homo
(95)
hetero
(19)
 
Assembly composition  (2)
protein structure
(95)
protein/protein complex
(19)
 
Assembly polymer count  (4)
monomer
(87)
dimer
(16)
trimer
(8)
tetramer
(3)
 
Resolution distribution
0.5 - 1
(1)
1.0 - 1.5
(9)
1.5 - 2
(38)
2.0 - 2.5
(41)
2.5 - 3
(21)
3.0 - 3.5
(2)
 
Release year distribution
2000 - 2005
(7)
2005 - 2010
(23)
2010 - 2015
(25)
2015 - 2020
(64)
2020 - 2025
(32)
 
Journal  (16)
J Med Chem
(37)
Bioorg Med Chem Lett
(27)
To be published
(12)
PLoS One
(9)
Blood
(4)
J Biol Chem
(4)
ACS Med Chem Lett
(3)
Acta Crystallogr D Biol Crystallogr
(3)
Bioorg Med Chem
(3)
Acta Crystallogr Sect F Struct Biol Cryst Commun
(2)
J Chem Inf Model
(2)
J Thromb Haemost
(2)
Nat Biomed Eng
(2)
Proc Natl Acad Sci U S A
(2)
J Mol Biol
(1)
Structure
(1)
 
Macromolecules
Organism superkingdom  (1)
Eukaryota
(114)
 
Organism name  (1)
Homo sapiens
(114)
 
Molecule name  (6)
Coagulation factor XI
(114)
Coagulation factor XIa heavy chain
(114)
Coagulation factor XIa light chain
(114)
FXI
(114)
PTA
(114)
Plasma thromboplastin antecedent
(114)
 
Molecule type  (1)
Protein
(114)
 
Gene names  (1)
F11
(114)
 
Interacting Molecules  (15)
Coagulation factor XIa heavy chain
(7)
Coagulation factor XIa light chain
(7)
Ecotin
(3)
Kininogen-1 light chain
(2)
Double Bridged Peptide F19
(1)
Double Bridged Peptide F21
(1)
FXIA ANTIBODY FAB HEAVY CHAIN
(1)
FXIA ANTIBODY FAB LIGHT CHAIN
(1)
FXIa Antibody FAB Heavy Chain
(1)
FXIa Antibody FAB Light Chain
(1)
LP2
(1)
P39
(1)
Soluble APP-beta
(1)
anti-Factor-XI Fab fragment heavy chain MAA868
(1)
anti-Factor-XI Fab fragment light chain MAA868
(1)
 
Interacting ligands  (112)
SO4 : SULFATE ION
(72)
EDO : 1,2-ETHANEDIOL
(37)
CIT : CITRIC ACID
(17)
GOL : GLYCEROL
(13)
NAG : 2-acetamido-2-deoxy-beta-D-glucopyranose
(9)
BCT : BICARBONATE ION
(5)
BEN : BENZAMIDINE
(5)
DMS : DIMETHYL SULFOXIDE
(3)
TRS : 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
(3)
7P0 : N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
(2)
CL : CHLORIDE ION
(2)
GSH : GLUTATHIONE
(2)
0TU : 6-chloroquinolin-2(1H)-one
(1)
1T5 : 3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid
(1)
1T6 : 5-aminocarbonyl-2-[3-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl]phenyl]benzoic acid
(1)
339 : (S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL)UREIDO)-N-((S)-1-((S)-5-GUANIDINO-1-OXO-1-(THIAZOL-2-YL)PENTAN-2-YLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)-5-UREIDOPENTANAMIDE
(1)
367 : 3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE
(1)
368 : (1R)-2-{[AMINO(IMINO)METHYL]AMINO}-1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
(1)
39D : 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide
(1)
39F : trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexane-1-carboxamide
(1)
3VM : trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide
(1)
3Y3 : 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea
(1)
3Y4 : methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
(1)
3Y5 : 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea
(1)
3YU : (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide
(1)
412 : (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
(1)
421 : 6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER
(1)
427 : (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
(1)
4CE : (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide
(1)
4D5 : methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1H-imidazol-5-yl}phenyl)carbamate
(1)
4GR : methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
(1)
5JM : 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid
(1)
5SS : 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide
(1)
5ST : methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
(1)
5SU : methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
(1)
624 : 2-(2-(3,4-DICHLOROPHENYL)-5-(ISOPROPYLAMINO)-6-OXOPYRIMIDIN-1(6H)-YL)-N-((S)-1-OXO-1-(THIAZOL-2-YL)-5-GUANIDINOPENTAN-2-YL)ACETAMIDE
(1)
62A : 2-(5-AMINO-6-OXO-2-M-TOLYL-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE
(1)
632 : 2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE
(1)
682 : N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE
(1)
709 : N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE
(1)
716 : 2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE
(1)
737 : N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-1-YL}-ACETAMIDE
(1)
7DK : METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]N ONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE
(1)
7DL : ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE
(1)
7DS : METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2, 7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE
(1)
995 : 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE
(1)
9EY : methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
(1)
9F1 : methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
(1)
9F7 : methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
(1)
9FA : methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
(1)
9FD : methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
(1)
9ZM : methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate
(1)
ACN : ACETONE
(1)
BUK : N~2~-({[(1R)-1-(4-BROMOPHENYL)ETHYL]AMINO}CARBONYL)ASPARAGINYL-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[2,3-DIHYDRO-1,3-THIAZOL-2-YL(HYDROXY)METHYL]BUTYL}VALINAMIDE
(1)
BUV : 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid
(1)
BUY : 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid
(1)
BVJ : methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate
(1)
BVM : 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid
(1)
E6U : N-[(1S)-1-benzyl-2-(3-guanidinopropylamino)-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
(1)
EEJ : methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate
(1)
FLC : CITRATE ANION
(1)
FUC : alpha-L-fucopyranose
(1)
G0R : N-(4-carbamimidamidobutyl)ethanamide
(1)
HDB : (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
(1)
IXA : N-[(2S)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide
(1)
J1J : N-[(2S)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide
(1)
J4X : 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide
(1)
J7B : 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
(1)
MVN : 6-chloro-4-methyl-1H-quinolin-2-one
(1)
NA : SODIUM ION
(1)
NH4 : AMMONIUM ION
(1)
NR7 : methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
(1)
NRJ : methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
(1)
NW2 : 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid
(1)
NW5 : 2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid
(1)
NWE : 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid
(1)
O58 : {4-[(N-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}acetic acid
(1)
O61 : N-[(2S)-1-({2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxamide
(1)
OQ6 : methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
(1)
OQI : methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
(1)
OQO : 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-methyl-pyridin-2-amine
(1)
OR0 : 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine
(1)
ORF : 3-chloranyl-4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-5-fluoranyl-pyridine
(1)
ORU : 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-1,3-thiazole
(1)
OSX : 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-4-methyl-1,3-thiazole
(1)
OT7 : 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine
(1)
OTJ : Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate
(1)
OTL : 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine
(1)
OTM : (2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide
(1)
OTW : 4-methylquinoline-2,6-diamine
(1)
OTX : 2-[(1~{R})-3-[bis(fluoranyl)methoxy]-1-[4-(3-methyl-1,2,3-triazol-4-yl)pyrazol-1-yl]propyl]-5-[3-chloranyl-6-(4-chloranyl-1,2,3-triazol-1-yl)-2-fluoranyl-phenyl]-1-oxidanyl-pyridine
(1)
PEG : DI(HYDROXYETHYL)ETHER
(1)
PO4 : PHOSPHATE ION
(1)
PRD_001115 : N-[(2S)-1-({2-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]ETHYL}AMINO)-1-OXO-3-PHENYLPROPAN-2-YL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-7-CARBOXAMIDE
(1)
QEV : methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
(1)
QEY : methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
(1)
QGS : 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid
(1)
QLD : ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate
(1)
QLJ : ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate
(1)
QLM : methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate
(1)
 
More...
 
Function and Biology
EC number / name  (1)
3.4.21.27 : Coagulation factor XIa
(114)
 
Biological function  (7)
serine-type endopeptidase activity
(111)
heparin binding
(4)
hydrolase activity
(4)
peptidase activity
(4)
protein binding
(4)
serine-type aminopeptidase activity
(4)
serine-type peptidase activity
(4)
 
Biological process  (6)
proteolysis
(114)
blood coagulation
(4)
hemostasis
(4)
plasminogen activation
(4)
positive regulation of fibrinolysis
(4)
regulation of blood coagulation
(4)
 
Biological cell component  (5)
extracellular region
(7)
extracellular exosome
(4)
extracellular space
(4)
membrane
(4)
plasma membrane
(4)
 
Sequence and Structure classification
SCOP fold  (1)
Trypsin-like serine proteases
(4)
 
Representative Structures
Representative Structures
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Entries 1 to 10 of 114
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FXIa antibody complex
Lolicato M, Minor DL
Structure (2018) [PMID: 29336885  ]
Source organism: Homo sapiens  
Assembly composition: protein/protein complex
Bound ligands: CO    GOL    CO    SO4    PO4   
Assembly name: Coagulation factor XIa light chain and IG-light kappa chain and IG-heavy chain (Preferred)   search this complex
PDBe complex ID: PDB-CPX-230780 (Preferred)   search this ID
PDBe-KB: P03951   
X-ray diffraction
1.8Å resolution
Released: 14 Mar 2018
Model geometry
Fit model/data
6aod
6aod
6aod
Factor XIa in complex with the inhibitor 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide
Wei A
J Med Chem (2014) [PMID: 25405503  ]
Source organism: Homo sapiens  
Assembly composition: protein/protein complex
Bound ligands: 39D    SO4    39D    EDO   
Assembly name: Coagulation factor XIa complex (Preferred)   search this complex
PDBe complex ID: PDB-CPX-137279 (Preferred)   search this ID
PDBe-KB: P03951   
X-ray diffraction
1.85Å resolution
Released: 3 Dec 2014
Model geometry
Fit model/data
4ty6
4ty6
4ty6
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Sandmark J, Oster L, Fjellstrom O, Akkaya S, Beisel HG, Eriksson PO, Erixon K, Gustafsson D, Jurva U, Kang D, Karis D, Knecht W, Nerme V, Nilsson I, Olsson T, Redzic A, Roth R, Tigerstrom A
PLoS One (2015) [PMID: 25629509  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: OTJ    SO4    OTJ   
Assembly name: Coagulation factor XIa light chain (Preferred)   search this complex
PDBe complex ID: PDB-CPX-137290 (Preferred)   search this ID
PDBe-KB: P03951   
X-ray diffraction
2.1Å resolution
Released: 11 Feb 2015
Model geometry
Fit model/data
4crd
4crd
4crd
Factor XIa in complex with the inhibitor (2S)-6-amino-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-2-ethylhexanamide
Wei A
J Med Chem (2014) [PMID: 25405503  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: 39F    SO4    39F    EDO   
Assembly name: Coagulation factor XIa light chain (Preferred)   search this complex
PDBe complex ID: PDB-CPX-137278 (Preferred)   search this ID
PDBe-KB: P03951   
X-ray diffraction
2.09Å resolution
Released: 3 Dec 2014
Model geometry
Fit model/data
4ty7
4ty7
4ty7
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Sandmark J, Oster L, Fjellstrom O, Akkaya S, Beisel HG, Eriksson PO, Erixon K, Gustafsson D, Jurva U, Kang D, Karis D, Knecht W, Nerme V, Nilsson I, Olsson T, Redzic A, Roth R, Tigerstrom A
PLoS One (2015) [PMID: 25629509  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: GOL    XJ8    SO4    XJ8   
Assembly name: Coagulation factor XIa light chain (Preferred)   search this complex
PDBe complex ID: PDB-CPX-137278 (Preferred)   search this ID
PDBe-KB: P03951   
X-ray diffraction
1.8Å resolution
Released: 11 Feb 2015
Model geometry
Fit model/data
4cra
4cra
4cra
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Sandmark J, Oster L, Fjellstrom O, Akkaya S, Beisel HG, Eriksson PO, Erixon K, Gustafsson D, Jurva U, Kang D, Karis D, Knecht W, Nerme V, Nilsson I, Olsson T, Redzic A, Roth R, Tigerstrom A
PLoS One (2015) [PMID: 25629509  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: GOL    SO4    J4X   
Assembly name: Coagulation factor XIa light chain (Preferred)   search this complex
PDBe complex ID: PDB-CPX-137290 (Preferred)   search this ID
PDBe-KB: P03951   
X-ray diffraction
1.25Å resolution
Released: 11 Feb 2015
Model geometry
Fit model/data
4crg
4crg
4crg
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Sandmark J, Oster L, Fjellstrom O, Akkaya S, Beisel HG, Eriksson PO, Erixon K, Gustafsson D, Jurva U, Kang D, Karis D, Knecht W, Nerme V, Nilsson I, Olsson T, Redzic A, Roth R, Tigerstrom A
PLoS One (2015) [PMID: 25629509  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: OTM    SO4    OTM   
Assembly name: Coagulation factor XIa light chain (Preferred)   search this complex
PDBe complex ID: PDB-CPX-137278 (Preferred)   search this ID
PDBe-KB: P03951   
X-ray diffraction
1.6Å resolution
Released: 11 Feb 2015
Model geometry
Fit model/data
4crc
4crc
4crc
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Sandmark J, Oster L, Fjellstrom O, Akkaya S, Beisel HG, Eriksson PO, Erixon K, Gustafsson D, Jurva U, Kang D, Karis D, Knecht W, Nerme V, Nilsson I, Olsson T, Redzic A, Roth R, Tigerstrom A
PLoS One (2015) [PMID: 25629509  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: OTW    SO4   
Assembly name: Coagulation factor XIa light chain (Preferred)   search this complex
PDBe complex ID: PDB-CPX-137287 (Preferred)   search this ID
PDBe-KB: P03951   
X-ray diffraction
1.7Å resolution
Released: 11 Feb 2015
Model geometry
Fit model/data
4cr9
4cr9
4cr9
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Sandmark J, Oster L, Fjellstrom O, Akkaya S, Beisel HG, Eriksson PO, Erixon K, Gustafsson D, Jurva U, Kang D, Karis D, Knecht W, Nerme V, Nilsson I, Olsson T, Redzic A, Roth R, Tigerstrom A
PLoS One (2015) [PMID: 25629509  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: 0TU    0TU    SO4   
Assembly name: Coagulation factor XIa light chain (Preferred)   search this complex
PDBe complex ID: PDB-CPX-137287 (Preferred)   search this ID
PDBe-KB: P03951   
X-ray diffraction
2Å resolution
Released: 11 Feb 2015
Model geometry
Fit model/data
4cr5
4cr5
4cr5
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Sandmark J, Oster L, Fjellstrom O, Akkaya S, Beisel HG, Eriksson PO, Erixon K, Gustafsson D, Jurva U, Kang D, Karis D, Knecht W, Nerme V, Nilsson I, Olsson T, Redzic A, Roth R, Tigerstrom A
PLoS One (2015) [PMID: 25629509  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: 7P0    GOL    7P0    SO4   
Assembly name: Coagulation factor XIa light chain (Preferred)   search this complex
PDBe complex ID: PDB-CPX-137278 (Preferred)   search this ID
PDBe-KB: P03951   
X-ray diffraction
1.85Å resolution
Released: 11 Feb 2015
Model geometry
Fit model/data
4crb
4crb
4crb
...
Entries 1 to 10 of 114
Entries 1 to 10 of 114