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(2)
New ligands in PDB
(2)
YAX : 2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[[2-[4-[2-(1~{H}-indol-2-ylmethylamino)ethanoylamino]cyclohexyl]-3~{H}-benzimidazol-5-yl]oxy]ethoxy]ethyl]ethanamide
(1)
YBI : ~{N}-[4-[6-[3-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoyl]piperazin-1-yl]propoxy]-1~{H}-benzimidazol-2-yl]cyclohexyl]-2-(1~{H}-indol-2-ylmethylamino)ethanamide
(1)
Entry Information
Entry status
(1)
REL
(597)
Experimental methods
(5)
X-ray diffraction
(581)
Solution NMR
(11)
Electron Microscopy
(5)
Hybrid
(1)
Neutron Diffraction
(1)
Authors
(2026)
Structural Genomics Consortium (SGC)
(62)
Arrowsmith CH
(61)
Schonbrunn E
(59)
Bountra C
(58)
Picaud S
(58)
von Delft F
(58)
Knapp S
(57)
Filippakopoulos P
(56)
Edwards AM
(51)
Xu Y
(48)
Chung CW
(47)
Schönbrunn E
(47)
Zhang Y
(47)
Chung C
(43)
Martin MP
(43)
Prinjha RK
(40)
Zhu JY
(39)
Berndt N
(36)
Bamborough P
(35)
Li Y
(33)
Park CH
(32)
Qi J
(31)
Waring MJ
(31)
Li J
(30)
Fedorov O
(29)
Felletar I
(29)
Zhu J-Y
(29)
Cano C
(28)
Endicott JA
(28)
Hardcastle IR
(28)
Heptinstall AB
(28)
Miller DC
(28)
Noble MEM
(28)
Davison G
(27)
Dormen S
(27)
Gunther S
(27)
Heath R
(27)
Hope I
(27)
Hugle M
(27)
Lawson M
(27)
Ng YM
(27)
Sanderson JN
(27)
Turberville S
(27)
Wood DJ
(27)
Xiong B
(27)
Einsle O
(26)
Günther S
(26)
Hügle M
(26)
Lucas X
(26)
Georg GI
(25)
Xiang Q
(25)
Huegle M
(24)
Wohlwend D
(24)
Cao D
(23)
Chan A
(23)
Zhang C
(23)
Zhou Y
(23)
Breit B
(22)
Ding K
(22)
Ember SW
(21)
Grandi P
(21)
Song M
(21)
Wang C
(21)
Xue X
(21)
Becker A
(20)
Wang J
(20)
Zhang H
(20)
Chen H
(19)
Wang X
(19)
Weigelt J
(19)
Bradner JE
(18)
Demont EH
(18)
Karim RM
(18)
Watson RJ
(18)
Zeng L
(18)
Gingras AC
(17)
Lambert JP
(17)
Liu Z
(17)
Wu X
(17)
Xu H
(17)
Zhou MM
(17)
Gerhardt S
(16)
Gordon L
(16)
Michon AM
(16)
Pomerantz WCK
(16)
Shen J
(16)
Wang Y
(16)
Zhu J
(16)
Balourdas DI
(15)
Cao DY
(15)
Chen TT
(15)
Humphreys PG
(15)
Joerger AC
(15)
Jung M
(15)
Mitchell DJ
(15)
Schmidtkunz K
(15)
Xu YC
(15)
Zhao L
(15)
Muller S
(14)
Olesen SH
(14)
More...
Homo / hetero assembly
(2)
homo
(529)
hetero
(68)
Assembly composition
(2)
protein structure
(529)
protein/protein complex
(68)
Assembly polymer count
(7)
monomer
(518)
dimer
(49)
trimer
(16)
tetramer
(11)
hexamer
(1)
nonamer
(1)
octamer
(1)
Resolution distribution
0.5 - 1
(6)
1.0 - 1.5
(248)
1.5 - 2
(248)
2.0 - 2.5
(47)
2.5 - 3
(24)
3.0 - 3.5
(6)
3.5 - 4
(5)
4.0 - 4.5
(1)
6.0 - 6.5
(1)
Release year distribution
2005 - 2010
(6)
2010 - 2015
(111)
2015 - 2020
(318)
2020 - 2025
(276)
2025 - 2030
(9)
Journal
(56)
J Med Chem
(204)
To be published
(108)
ACS Chem Biol
(35)
ACS Med Chem Lett
(18)
Proc Natl Acad Sci U S A
(18)
Angew Chem Int Ed Engl
(16)
Eur J Med Chem
(15)
Nat Chem Biol
(14)
Bioorg Med Chem Lett
(12)
Mol Cell
(12)
Bioorg Med Chem
(10)
ChemMedChem
(10)
Sci Rep
(9)
Structure
(7)
ACS Omega
(6)
Cell
(6)
FEBS J
(6)
Chemrxiv
(5)
Mol Cancer Ther
(5)
Molecules
(5)
Medchemcomm
(4)
Nature
(4)
Protein Sci
(4)
ACS Cent Sci
(3)
Acta Crystallogr D Biol Crystallogr
(3)
Acta Pharmacol Sin
(3)
Cancer Discov
(3)
Chem Commun (Camb)
(3)
Chemistry
(3)
Int J Cancer
(3)
Nat Commun
(3)
Oncogene
(3)
Oncogenesis
(3)
Sci Adv
(3)
Science
(3)
Biochem Biophys Res Commun
(2)
Chem Biol
(2)
J Biol Chem
(2)
J Control Release
(2)
J Enzyme Inhib Med Chem
(2)
J. Med. Chem.
(2)
PLoS One
(2)
Arch Pharm (Weinheim)
(1)
Biochem Pharmacol
(1)
Biochemistry
(1)
Bioorg Chem
(1)
Biorxiv
(1)
Cancer Cell
(1)
Cell Discov
(1)
Commun Chem
(1)
J Exp Med
(1)
J Virol
(1)
JACS Au
(1)
Not published
(1)
Org Biomol Chem
(1)
bioRxiv
(1)
Macromolecules
Organism superkingdom
(1)
Eukaryota
(597)
Organism name
(1)
Homo sapiens
(597)
Molecule name
(2)
Bromodomain-containing protein 4
(597)
Protein HUNK1
(597)
Molecule type
(1)
Protein
(597)
Gene names
(2)
BRD4
(597)
HUNK1
(597)
Interacting Molecules
(49)
Elongin-B
(13)
Elongin-C
(13)
von Hippel-Lindau disease tumor suppressor
(13)
DNA damage-binding protein 1
(7)
Histone H4
(6)
Protein cereblon
(6)
Cullin-2
(3)
Transcription factor p65
(3)
DDB1- and CUL4-associated factor 16
(2)
E3 ubiquitin-protein ligase RBX1, N-terminally processed
(2)
Envelope small membrane protein
(2)
Glucose-induced degradation protein 4 homolog
(2)
Histone H3.1
(2)
Histone-lysine N-methyltransferase NSD3
(2)
Transcription factor E2F1
(2)
Ubiquitin
(2)
3.1_2_AcK5toA
(1)
Bcl-2-associated transcription factor 1
(1)
Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6
(1)
Cyclic peptide 3.1_2
(1)
Cyclic peptide 4.2_3
(1)
DET1- and DDB1-associated protein 1
(1)
DNA topoisomerase 2-alpha
(1)
DNA-directed RNA polymerase II subunit RPB1
(1)
E3 ubiquitin-protein ligase RBX1
(1)
Erythroid transcription factor
(1)
Forkhead box protein O3
(1)
Heterogeneous nuclear ribonucleoprotein K
(1)
Histone H2A.Z
(1)
Interleukin enhancer-binding factor 3
(1)
MLV integrase
(1)
NAD-dependent protein deacetylase sirtuin-7
(1)
Peptide 4.2E
(1)
Peptide 4.2F
(1)
Protein LANA1
(1)
Regulatory protein E2
(1)
SRSF protein kinase 1
(1)
Serine hydroxymethyltransferase, cytosolic
(1)
Transcriptional regulator ATRX
(1)
Twist-related protein 1
(1)
Tyrosine-protein kinase BAZ1B
(1)
Ubiquitin-conjugating enzyme E2 R1
(1)
Ubiquitin-conjugating enzyme E2 R2
(1)
Ubiquitin-like protein NEDD8
(1)
cyclic peptide 3.1_2
(1)
cyclic peptide 3.1_2_AcK7toA
(1)
cyclic peptide 3.1_3
(1)
cyclic peptide 3.2_1
(1)
cyclic peptide 3.2_2
(1)
Interacting ligands
(538)
EDO : 1,2-ETHANEDIOL
(260)
GOL : GLYCEROL
(65)
DMS : DIMETHYL SULFOXIDE
(33)
NA : SODIUM ION
(30)
NO3 : NITRATE ION
(21)
FMT : FORMIC ACID
(15)
CL : CHLORIDE ION
(13)
BU3 : (R,R)-2,3-BUTANEDIOL
(9)
PEG : DI(HYDROXYETHYL)ETHER
(8)
IOD : IODIDE ION
(5)
759 : (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
(4)
0S6 : methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
(3)
1K0 : 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one
(3)
LOC : N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
(3)
SO4 : SULFATE ION
(3)
2TA : N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
(2)
4K4 : 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
(2)
4WG : 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
(2)
53W : 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole
(2)
5W2 : 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide
(2)
7QZ : N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide
(2)
82V : 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one
(2)
82Y : N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide
(2)
9BM : 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid
(2)
ACE : ACETYL GROUP
(2)
ACT : ACETATE ION
(2)
BMF : Bromosporine
(2)
CA : CALCIUM ION
(2)
E5Q : 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol
(2)
EAM : 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
(2)
HCC : 2',4,4'-TRIHYDROXYCHALCONE
(2)
JQ1 : (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium
(2)
K : POTASSIUM ION
(2)
LY2 : 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE
(2)
OWO : 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine
(2)
PGE : TRIETHYLENE GLYCOL
(2)
Q2F : ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide
(2)
QIY : (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
(2)
QYV : 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
(2)
R78 : 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
(2)
SQH : 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one
(2)
WSH : BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE
(2)
YF6 : N-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1H-indol-4-yl)ethanesulfonamide
(2)
08H : 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
(1)
08J : 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
(1)
08K : 8-chloro-1,4-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine
(1)
0NS : 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide
(1)
0Q1 : (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol
(1)
13F : 3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
(1)
14X : 3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one
(1)
14Z : N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
(1)
15E : 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one
(1)
1A3 : N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide
(1)
1A4 : N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
(1)
1A5 : 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
(1)
1A6 : 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine
(1)
1A7 : 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one
(1)
1A8 : N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide
(1)
1A9 : 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide
(1)
1AJ : 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone
(1)
1GH : 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE
(1)
1H2 : 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol
(1)
1H3 : 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol
(1)
1M3 : N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide
(1)
1P8 : 6-bromo-1,3-dihydro-2H-indol-2-one
(1)
1PE : PENTAETHYLENE GLYCOL
(1)
1QK : 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium
(1)
1XA : 3-methyl-4-phenyl-1,2-oxazol-5-amine
(1)
1XB : 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide
(1)
21H : oxydimethanol
(1)
21Q : 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
(1)
24Y : 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one
(1)
25K : N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
(1)
25O : 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
(1)
25V : N-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide
(1)
2IR : N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine
(1)
2LL : 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole
(1)
2LO : 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole
(1)
2N0 : 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one
(1)
2NJ : (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
(1)
2R4 : 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one
(1)
2RC : [6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate
(1)
2RE : 4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol
(1)
2RF : 3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione
(1)
2RJ : 2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidine
(1)
2RK : 4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine
(1)
2RN : 3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol
(1)
2RQ : 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine
(1)
2SJ : N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
(1)
30M : N-[4-(1-oxo-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)butyl]acetamide
(1)
3OT : 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one
(1)
3P2 : N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine
(1)
3PF : 3-methyl-3,4-dihydroquinazolin-2(1H)-one
(1)
3X0 : (4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
(1)
3Z7 : 4-bromo-2-methoxyphenol
(1)
435 : 4-[(E)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide
(1)
43S : 6-(5-bromo-1-benzofuran-7-yl)-9H-purin-2-amine
(1)
43U : 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine
(1)
4JI : N-[2-[2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4,5-dimethoxy-phenyl]ethyl]ethanamide
(1)
4LD : 1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole
(1)
More...
Sequence and Structure classification
CATH class
(1)
Mainly Alpha
(299)
CATH topology
(2)
Histone Acetyltransferase; Chain A
(294)
Substrate Binding Domain Of Dnak; Chain:A; Domain 2
(5)
Pfam accession / name
(3)
PF00439 : Bromodomain
(591)
PF17035 : BET
(5)
PF17105 : BRD4_CDT
(1)
Experimental Information
Diffraction protocol
(2)
Single wavelength
(578)
MAD
(1)
Diffraction radiation source type
(5)
Synchrotron
(493)
Rotating anode
(83)
Sealed tube
(2)
Liquid anode
(1)
Nuclear reactor
(1)
Diffraction source
(68)
DIAMOND BEAMLINE I04-1
(38)
RIGAKU MICROMAX-007 HF
(35)
APS BEAMLINE 22-ID
(32)
APS BEAMLINE 17-ID
(30)
SSRF BEAMLINE BL19U1
(30)
SLS BEAMLINE X06SA
(28)
SSRF BEAMLINE BL17U1
(28)
RIGAKU FR-E SUPERBRIGHT
(26)
SSRF BEAMLINE BL17U
(25)
APS BEAMLINE 22-BM
(20)
APS BEAMLINE 24-ID-E
(18)
DIAMOND BEAMLINE I03
(16)
ESRF BEAMLINE ID29
(16)
AUSTRALIAN SYNCHROTRON BEAMLINE MX2
(15)
SLS BEAMLINE X06DA
(14)
RIGAKU FR-E+ SUPERBRIGHT
(12)
SLS BEAMLINE X10SA
(11)
APS BEAMLINE 24-ID-C
(10)
DIAMOND BEAMLINE I04
(10)
APS BEAMLINE 21-ID-F
(8)
DIAMOND BEAMLINE I24
(8)
OTHER
(8)
PAL/PLS BEAMLINE 11C
(8)
APS BEAMLINE 21-ID-D
(7)
AUSTRALIAN SYNCHROTRON BEAMLINE MX1
(7)
NSLS BEAMLINE X6A
(7)
DIAMOND BEAMLINE I02
(6)
ESRF BEAMLINE ID23-1
(6)
ESRF BEAMLINE ID30B
(6)
NSLS BEAMLINE X29A
(6)
SSRF BEAMLINE BL02U1
(6)
SSRF BEAMLINE BL18U1
(6)
CLSI BEAMLINE 08ID-1
(5)
PHOTON FACTORY BEAMLINE BL-5A
(5)
SSRF BEAMLINE BL10U2
(5)
APS BEAMLINE 21-ID-G
(4)
ELETTRA BEAMLINE 11.2C
(4)
RIGAKU
(4)
SPRING-8 BEAMLINE BL45XU
(4)
BRUKER AXS MICROSTAR
(3)
ELETTRA BEAMLINE 5.2R
(3)
ESRF
(3)
ESRF BEAMLINE ID23-2
(3)
ESRF BEAMLINE MASSIF-1
(3)
APS BEAMLINE 14-BM-C
(2)
APS BEAMLINE 23-ID-D
(2)
APS BEAMLINE 31-ID
(2)
SSRL BEAMLINE BL14-1
(2)
SSRL BEAMLINE BL7-1
(2)
ALS BEAMLINE 4.2.2
(1)
ALS BEAMLINE 5.0.1
(1)
ALS BEAMLINE 5.0.2
(1)
ALS BEAMLINE 8.3.1
(1)
BESSY BEAMLINE 14.2
(1)
BRUKER METALJET
(1)
ESRF BEAMLINE ID14-4
(1)
FRM II BEAMLINE BIODIFF
(1)
NFPSS BEAMLINE BL19U1
(1)
NSLS-II BEAMLINE 17-ID-1
(1)
NSLS-II BEAMLINE 17-ID-2
(1)
PAL/PLS BEAMLINE 5C (4A)
(1)
PAL/PLS BEAMLINE 7A (6B, 6C1)
(1)
PHOTON FACTORY BEAMLINE AR-NW12A
(1)
PHOTON FACTORY BEAMLINE BL-17A
(1)
RIGAKU MICROMAX-002
(1)
RIGAKU MICROMAX-003
(1)
RIGAKU MICROMAX-007
(1)
SSRF BEAMLINE BL17B1
(1)
Synchrotron site
(18)
APS
(135)
SSRF
(101)
Diamond
(78)
SLS
(53)
ESRF
(38)
Australian Synchrotron
(22)
NSLS
(13)
PAL/PLS
(10)
ELETTRA
(7)
Photon Factory
(7)
CLSI
(5)
ALS
(4)
SPring-8
(4)
SSRL
(4)
NSLS-II
(2)
BESSY
(1)
FRM II
(1)
NFPSS
(1)
Diffraction detector type
(4)
Pixel
(351)
CCD
(179)
Image plate
(40)
CMOS
(2)
Refinement software
(5)
PHENIX
(279)
REFMAC
(255)
BUSTER
(50)
BUSTER-TNT
(2)
phenix.real_space_refine
(1)
EM microscope model
(2)
FEI TITAN KRIOS
(3)
TFS GLACIOS
(2)
EM detector name
(3)
GATAN K3 BIOQUANTUM (6k x 4k)
(3)
TFS FALCON 4i (4k x 4k)
(1)
TFS FALCON 4i (4k x 4x)
(1)
NMR
NMR software packages
(16)
CNS
(9)
NMRPipe
(9)
ARIA
(8)
NMRView
(8)
TopSpin
(7)
PROCHECK / PROCHECK-NMR
(4)
TALOS
(4)
CYANA
(2)
CSI
(1)
MOLMOL
(1)
NMRViewJ
(1)
PINE
(1)
PSVS
(1)
Sparky
(1)
TALOS-N
(1)
XwinNMR
(1)
NMR Field Strength
400.0 - 500
(5)
500.0 - 600
(9)
600.0 - 700
(9)
700.0 - 800
(10)
800.0 - 900
(10)
900.0 - 1000
(7)
Representative Structures
Representative Structures
Entries
Macromolecules
Compounds
Protein families
...
Entries 1 to 10 of 597
Select all entries on this page
Crystal structure of the first bromodomain (BD1) of human BRD4 (BRD4-1) in complex with bivalent inhibitor NC-III-49-1
Karim MR, Schonbrunn E
J Med Chem
(2022)
[PMID: 35867655 ]
Source organism: Homo sapiens
Assembly composition: protein only structure
Assembly name:
Bromodomain-containing protein 4
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130144 (Preferred)
search this ID

First bromodomain of BRD4 liganded with CCS-1477
Schonbrunn E, Bikowitz M
Nat Commun
(2024)
[PMID: 38664416 ]
Source organism: Homo sapiens
Assembly composition: protein only structure
Assembly name:
Bromodomain-containing protein 4
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130112 (Preferred)
search this ID

BRD4-BD1 in complex with N-cyclohexyl-1-methyl-6-{[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxo-pyrazolo[4,3-c]pyridin-2-yl]methyl}azepan-1-ium-4-carboxamide 2,2,2-trifluoroacetate
Sasaki C, Miyaguchi I, Hagihara S, Ishizawa K, Endo J
To be published
Source organism: Homo sapiens
Assembly composition: protein only structure
Assembly name:
Bromodomain-containing protein 4
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130112 (Preferred)
search this ID

Crystal structure of the first bromodomain (BD1) of human BRD4 bound to XMD8-92
Karim MR, Zhu JY, Schonbrunn E
J Med Chem
(2021)
[PMID: 34710325 ]
Source organism: Homo sapiens
Assembly composition: protein only structure
Assembly name:
Bromodomain-containing protein 4
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130112 (Preferred)
search this ID

Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161
Balourdas DI, Bauer N, Knapp S, Joerger AC, Structural Genomics Consortium (SGC)
ACS Chem Biol
(2024)
[PMID: 38291964 ]
Source organism: Homo sapiens
Assembly composition: protein only structure
Assembly name:
Bromodomain-containing protein 4
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130112 (Preferred)
search this ID

Open non-crosslinked structure Brd4BD2-MZ1-(NEDD8)-CRL2VHL
Crowe C, Nakasone MA, Ciulli A
Sci Adv
(2024)
[PMID: 39392888 ]
Source organism: Homo sapiens
Assembly composition: protein/protein complex
Assembly name:
VHL-Elongin C-Elongin B E3 ubiquitin ligase complex and Bromodomain-containing protein 4
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-271785 (Preferred)
search this ID
Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with ZN1-99
Ratia KM, Xiong R, Li Y, Shen Z, Zhao J, Huang F, Dubrovyskyii O, Thatcher GR
J Med Chem
(2020)
[PMID: 32453591 ]
Source organism: Homo sapiens
Assembly composition: protein only structure
Assembly name:
Bromodomain-containing protein 4
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130112 (Preferred)
search this ID

Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB503
Balourdas DI, Bauer N, Knapp S, Joerger AC, Structural Genomics Consortium (SGC)
ACS Chem Biol
(2024)
[PMID: 38291964 ]
Source organism: Homo sapiens
Assembly composition: protein only structure
Assembly name:
Bromodomain-containing protein 4
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130112 (Preferred)
search this ID

Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with YF3-126
Ratia KM, Xiong R, Li Y, Shen Z, Zhao J, Huang F, Dubrovyskyii O, Thatcher GR
J Med Chem
(2020)
[PMID: 32453591 ]
Source organism: Homo sapiens
Assembly composition: protein only structure
Assembly name:
Bromodomain-containing protein 4
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130112 (Preferred)
search this ID

Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with YF3-126
Ratia KM, Xiong R, Li Y, Shen Z, Zhao J, Huang F, Dubrovyskyii O, Thatcher GR
J Med Chem
(2020)
[PMID: 32453591 ]
Source organism: Homo sapiens
Assembly composition: protein only structure
Assembly name:
Bromodomain-containing protein 4
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130112 (Preferred)
search this ID

...
Entries 1 to 10 of 597