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Entry Information
Entry status
(1)
Experimental methods
(2)
X-ray diffraction
(62)
Solution NMR
(2)
Authors
(207)
Stuehr DJ
(35)
Getzoff ED
(34)
Tainer JA
(34)
Arvai AS
(29)
Crane BR
(26)
Rosenfeld RJ
(23)
Wallace AV
(22)
Aberg A
(21)
Andersson G
(20)
Garcin ED
(20)
Andrews G
(17)
Cheshire DR
(17)
Connolly S
(17)
Hamley PJ
(17)
Mete A
(17)
Nicholls DJ
(17)
St-Gallay SA
(17)
Gensmantel NP
(15)
Kroeger MD
(15)
Mallinder PR
(15)
Tinker AC
(15)
Ghosh DK
(12)
Whitlow M
(9)
Adler M
(7)
Devlin JJ
(7)
Erickson S
(7)
Ghosh S
(7)
Morrissey MM
(7)
Pan G
(7)
Stueh DJ
(7)
Vergona R
(7)
Arnaiz D
(6)
Davey DD
(6)
Eagen K
(6)
Guilford W
(6)
Kenrick M
(6)
Ohlmeyer M
(6)
Paradkar VM
(6)
Parkinson J
(6)
Phillips G
(6)
Polokoff M
(6)
Saionz K
(6)
Santos C
(6)
Subramanyam B
(6)
Wei RG
(6)
Wu C
(6)
Ye B
(6)
Zhao ZS
(6)
Morris GM
(5)
Olson AJ
(5)
Panda K
(5)
Arnaia D
(4)
Fedorov R
(4)
Kuang Z
(4)
Li H
(4)
Li K
(4)
Ohimeyer M
(4)
Salonz K
(4)
Schlichting I
(4)
Blasko E
(3)
Gachhui R
(3)
Glaser CB
(3)
Luo Y
(3)
Parkinson JF
(3)
Poulos TL
(3)
Young TA
(3)
Andersson GM
(2)
Aoyagi M
(2)
Beaton HG
(2)
Birkinshaw TN
(2)
Boughton-Smith N
(2)
Cook TR
(2)
Cooper A
(2)
Cooper SL
(2)
Cox D
(2)
Dieckmann T
(2)
Dixon J
(2)
Gensmantel N
(2)
Guillemette JG
(2)
Harrison R
(2)
Hartmann E
(2)
Hartopp P
(2)
Kack H
(2)
Käck H
(2)
Leeson PD
(2)
Luker T
(2)
Millichip I
(2)
Misra S
(2)
Page RC
(2)
Piazza M
(2)
Pimm AD
(2)
Raman CS
(2)
Wang Y
(2)
Wei H
(2)
You T
(2)
Zhang D
(2)
Åberg A
(2)
Alber T
(1)
Andersson GMK
(1)
Anezo C
(1)
More...
Homo / hetero assembly
(2)
homo
(55)
hetero
(9)
Assembly composition
(2)
protein structure
(55)
protein/protein complex
(9)
Assembly polymer count
(4)
dimer
(57)
monomer
(4)
tetramer
(2)
trimer
(1)
Resolution distribution
1.0 - 1.5
(4)
1.5 - 2
(7)
2.0 - 2.5
(25)
2.5 - 3
(24)
3.0 - 3.5
(2)
Release year distribution
1995 - 2000
(15)
2000 - 2005
(20)
2005 - 2010
(26)
2010 - 2015
(8)
2015 - 2020
(5)
2020 - 2025
(3)
Journal
(16)
Nat Chem Biol
(15)
Biochemistry
(13)
J Biol Chem
(6)
J Med Chem
(6)
Science
(6)
To be published
(4)
Bioorg Med Chem Lett
(3)
EMBO J
(2)
Proc Natl Acad Sci U S A
(2)
Arch Biochem Biophys
(1)
Biochem Biophys Res Commun
(1)
Bioorg Med Chem
(1)
J. Biol. Chem.
(1)
Nat Struct Biol
(1)
Nitric Oxide
(1)
Org Biomol Chem
(1)
Macromolecules
Organism superkingdom
(1)
Eukaryota
(64)
Organism name
(2)
Mus musculus
(51)
Homo sapiens
(13)
Molecule name
(10)
Inducible NO synthase
(64)
Inducible NOS
(64)
NOS type II
(64)
Nitric oxide synthase, inducible
(64)
Peptidyl-cysteine S-nitrosylase NOS2
(64)
iNOS
(64)
MAC-NOS
(51)
Macrophage NOS
(51)
HEP-NOS
(13)
Hepatocyte NOS
(13)
Molecule type
(1)
Protein
(64)
Gene names
(4)
Inosl
(51)
Nos2
(51)
NOS2
(13)
NOS2A
(13)
Interacting Molecules
(4)
SPRY domain-containing SOCS box protein 2
(4)
Calmodulin-1
(3)
Calmodulin
(1)
Nitric oxide synthase, inducible
(1)
Interacting ligands
(56)
HEM : PROTOPORPHYRIN IX CONTAINING FE
(54)
H4B : 5,6,7,8-TETRAHYDROBIOPTERIN
(41)
SO4 : SULFATE ION
(24)
ZN : ZINC ION
(12)
EDO : 1,2-ETHANEDIOL
(9)
BOG : octyl beta-D-glucopyranoside
(7)
GOL : GLYCEROL
(6)
IMD : IMIDAZOLE
(4)
ARG : ARGININE
(3)
AT2 : ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE
(3)
HAR : N-OMEGA-HYDROXY-L-ARGININE
(3)
HBI : 7,8-DIHYDROBIOPTERIN
(3)
ITU : ETHYLISOTHIOUREA
(3)
H2B : 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE
(2)
SO3 : SULFITE ION
(2)
14W : N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE
(1)
1A2 : 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE
(1)
1PM : methyl (3S)-3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
(1)
228 : N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE
(1)
328 : 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile
(1)
329 : (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
(1)
332 : (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
(1)
333 : 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE
(1)
342 : (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE
(1)
391 : 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE
(1)
3AR : N-OMEGA-PROPYL-L-ARGININE
(1)
4AB : 2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE
(1)
5NI : 5-NITROINDAZOLE
(1)
6NI : 6-NITROINDAZOLE
(1)
7NI : 7-NITROINDAZOLE
(1)
A11 : ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE
(1)
A54 : 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile
(1)
A55 : N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE
(1)
AGU : AMINOGUANIDINE
(1)
ARR : N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE
(1)
AS3 : 4-METHYL-6-PROPYLPYRIDIN-2-AMINE
(1)
AT6 : N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE
(1)
B14 : 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE
(1)
B2 : (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE
(1)
BVF : 4-METHYLPYRIDIN-2-AMINE
(1)
CLW : CHLORZOXAZONE
(1)
FC1 : THIOCOUMARIN
(1)
FMN : FLAVIN MONONUCLEOTIDE
(1)
HEC : HEME C
(1)
I58 : 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE
(1)
INE : 3-BROMO-7-NITROINDAZOLE
(1)
MH0 : Mesoheme
(1)
MPW : 2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine
(1)
MR1 : 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE
(1)
MSR : 4-(1H-IMIDAZOL-1-YL)PHENOL
(1)
NO : NITRIC OXIDE
(1)
R86 : 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE
(1)
S71 : (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine
(1)
SCI : L-THIOCITRULLINE
(1)
XXZ : 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE
(1)
YWO : O-(5-methyl-2-nitrophenyl)-D-tyrosinamide
(1)
Function and Biology
EC number / name
(1)
1.14.13.39 : Nitric-oxide synthase (NADPH)
(64)
Biological function
(3)
nitric-oxide synthase activity
(56)
heme binding
(18)
FMN binding
(1)
Biological process
(1)
nitric oxide biosynthetic process
(56)
Compound cofactor class
(2)
Heme
(56)
Flavin Mononucleotide
(1)
Sequence and Structure classification
SCOP fold
(1)
Nitric oxide (NO) synthase oxygenase domain
(42)
SCOP family
(1)
Nitric oxide (NO) synthase oxygenase domain
(42)
CATH class
(2)
Alpha Beta
(56)
Special
(1)
CATH topology
(5)
Bovine Endothelial Nitric Oxide Synthase Heme Domain; Chain: A,domain 3
(55)
Nitric Oxide Synthase; Chain A, domain 1
(55)
Nitric Oxide Synthase;Heme Domain; Chain A, domain 2
(55)
Rossmann fold
(1)
Single alpha-helices involved in coiled-coils or other helix-helix interfaces
(1)
Pfam accession / name
(2)
PF02898 : NO_synthase
(56)
PF00258 : Flavodoxin_1
(1)
Experimental Information
Diffraction protocol
(1)
Single wavelength
(56)
Diffraction radiation source type
(2)
Synchrotron
(60)
Rotating anode
(2)
Diffraction source
(22)
SSRL BEAMLINE BL9-1
(17)
SSRL BEAMLINE BL7-1
(15)
ALS BEAMLINE 5.0.2
(6)
APS BEAMLINE 14-BM-C
(2)
ESRF BEAMLINE ID14-1
(2)
MAX II BEAMLINE I711
(2)
NFPSS BEAMLINE BL19U1
(2)
SSRF BEAMLINE BL19U1
(2)
ALS BEAMLINE 4.2.2
(1)
ALS BEAMLINE 8.3.1
(1)
APS BEAMLINE 17-BM
(1)
APS BEAMLINE 17-ID
(1)
CHESS BEAMLINE F1
(1)
EMBL/DESY, HAMBURG BEAMLINE X13
(1)
EMBL/DESY, HAMBURG BEAMLINE X31
(1)
ESRF BEAMLINE ID14-3
(1)
ESRF BEAMLINE ID14-4
(1)
NSLS BEAMLINE X12C
(1)
RIGAKU MICROMAX-007
(1)
RIGAKU MICROMAX-007 HF
(1)
SSRL BEAMLINE BL11-1
(1)
SSRL BEAMLINE BL9-2
(1)
Synchrotron site
(10)
SSRL
(34)
ALS
(8)
APS
(4)
ESRF
(4)
EMBL/DESY, Hamburg
(2)
MAX II
(2)
NFPSS
(2)
SSRF
(2)
CHESS
(1)
NSLS
(1)
Diffraction detector type
(3)
CCD
(28)
Image plate
(28)
Pixel
(5)
Refinement software
(6)
CNS
(36)
X-PLOR
(17)
REFMAC
(6)
CNX
(4)
PHENIX
(2)
BUSTER
(1)
NMR
NMR software packages
(2)
CNS
(2)
CARA
(1)
NMR Field Strength
500.0 - 600
(2)
600.0 - 700
(2)
700.0 - 800
(1)
Representative Structures
Representative Structures
Entries
Macromolecules
Compounds
Protein families
...
Entries 1 to 10 of 64
Select all entries on this page
Structure of human iNOS heme domain in complex with (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE
Li H, Poulos TL
Biochemistry
(2014)
[PMID: 25089924 ]
Source organism: Homo sapiens
Assembly composition: protein only structure
Assembly name:
Nitric oxide synthase, inducible
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-152859 (Preferred)
search this ID

The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Cheshire DR, Andrews G, Beaton HG, Birkinshaw TN, Boughton-Smith N, Connolly S, Cook TR, Cooper A, Cooper SL, Cox D, Dixon J, Gensmantel N, Hamley PJ, Harrison R, Hartopp P, Kack H, Luker T, Mete A, Millichip I, Nicholls DJ, Pimm AD, St-Gallay SA, Wallace AV
Bioorg Med Chem Lett
(2011)
[PMID: 21398123 ]
Source organism: Mus musculus
Assembly composition: protein only structure
Assembly name:
Nitric oxide synthase, inducible
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-151523 (Preferred)
search this ID

Structural Characterization of Inducible Nitric Oxide Synthase Substituted With Mesoheme
Hannibal L, Page RC, Bolisetty K, Yu Z, Misra S, Stuehr DJ
To be published
Source organism: Mus musculus
Assembly composition: protein only structure
Assembly name:
Nitric oxide synthase, inducible
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-151523 (Preferred)
search this ID

HUMAN INDUCIBLE NITRIC OXIDE SYNTHASE WITH INHIBITOR
Fischmann TO, Weber PC
Nat Struct Biol
(1999)
[PMID: 10074942 ]
Source organism: Homo sapiens
Assembly composition: protein only structure
Assembly name:
Nitric oxide synthase, inducible
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-152858 (Preferred)
search this ID

The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Cheshire DR, Andrews G, Beaton HG, Birkinshaw T, Boughton-Smith N, Connolly S, Cook TR, Cooper A, Cooper SL, Cox D, Dixon J, Gensmantel N, Hamley PJ, Harrison R, Hartopp P, Kack H, Luker T, Mete A, Millichip I, Nicholls DJ, Pimm AD, St-Gallay SA, Wallace AV
Bioorg Med Chem Lett
(2011)
[PMID: 21398123 ]
Source organism: Mus musculus
Assembly composition: protein/protein complex
Assembly name:
Nitric oxide synthase, inducible
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-151524 (Preferred)
search this ID

Crystal structure of the SPRY domain of SPSB2 in complex with cR7, a potent cyclic peptide inhibitor of SPSB2-iNOS interaction
Li K, Kuang Z
To be published
Source organism: Homo sapiens
Assembly composition: protein/protein complex
Assembly name:
Nitric oxide synthase, inducible and SPRY domain-containing SOCS box protein 2
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-152857 (Preferred)
search this ID
Solution structure of the CaM34 with the iNOS CaM binding domain peptide
Piazza M, Dieckmann T, Guillemette JG
Biochemistry
(2017)
[PMID: 28121131 ]
Source organism: Homo sapiens
Assembly composition: protein/protein complex
Assembly name:
Nitric oxide synthase, inducible and Calmodulin-1
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-143921 (Preferred)
search this ID
Crystal structure of SPSB2 in complex with a rational designed RGD containing cyclic peptide inhibitor of SPSB2-iNOS interaction
You T, Kuang Z
Biochem Biophys Res Commun
(2017)
[PMID: 28549582 ]
Source organism: Homo sapiens
Assembly composition: protein/protein complex
Assembly name:
Nitric oxide synthase, inducible and SPRY domain-containing SOCS box protein 2
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-152857 (Preferred)
search this ID
Crystal structure of the SPRY domain of SPSB2 in complex with cR9, a cyclic peptide inhibitor of SPSB-iNOS interaction
Li K, Kuang Z
To be published
Source organism: Homo sapiens
Assembly composition: protein/protein complex
Assembly name:
Nitric oxide synthase, inducible and SPRY domain-containing SOCS box protein 2
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-152857 (Preferred)
search this ID
Structural basis for the regulation of inducible nitric oxide synthase (iNOS) by the SPRY domain-containing SOCS box protein 2 (SPSB2)
Li K, Kuang Z
Nitric Oxide
(2021)
[PMID: 33862200 ]
Source organism: Homo sapiens
Assembly composition: protein/protein complex
Assembly name:
Nitric oxide synthase, inducible and SPRY domain-containing SOCS box protein 2
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-152857 (Preferred)
search this ID
...
Entries 1 to 10 of 64