Current Protein Identity：P29477
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Difference tags compare only the current result set; every original PDB and assembly record remains separate.
Related-Structure Differences
Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.
| PDB Entry | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Experimental Method | Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1DD7 MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) (N-[(1,3-BENZODIOXOL-5-YL)METHYL]-1-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]-4-(METHOXYCARBONYL)-PIPERAZINE-2-ACETAMIDE COMPLEX Deposited 1999-11-08 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
114–498（385 aa）
Fragment：OXYGENASE DOMAIN 114-498
|
Not recorded | SO3 SULFITE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 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 × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.7；298 K；Crystals of murine delta114 iNOS were prepared in the presence of
imidazole following the procedures of Crane et al. (reference 1) as follows:
The 6 uL crystallization drops contained 20 mg/ml murine delta114 iNOS,
20 mM HEPES pH 7.6, 5 % glycerol, 0.5 mM DTT,
6.8 % PEG-3350, 60 mM Na2SO3, and 50 mM imidazole/malate buffer pH 4.7 were
placed over a 1 ml reservoir containing 13.6 % PEG-3350, 120 mM Na2SO3, and
100 mM imidazole/malate buffer pH 4.7.
These crystals were soaked for 25 hours in 5 uM
N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-
4-(methoxycarbonyl)-piperazine-2-acetamide, 14 % PEG-3350, 1 mM NaN3,
50 mM MES pH 6.5 and 50 mM Na2SO3. The crystals were then rinsed in
33 % ethylene glycol, 9.3% PEG-3350, 0.7 mM NaN3, 33 mM MES pH 6.5 and
33 mM Na2SO3, and flash frozen in liquid nitrogen. , VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.25 Å R-free 0.284 |
| 1DF1 MURINE INOSOXY DIMER WITH ISOTHIOUREA BOUND IN THE ACTIVE SITE Deposited 1999-11-16 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
77–499（423 aa）
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ITU ETHYLISOTHIOUREA × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.3；277 K；LI2SO4, BOG, MES, pH 5.3, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.35 Å R-free 0.298 |
| 1DF1 MURINE INOSOXY DIMER WITH ISOTHIOUREA BOUND IN THE ACTIVE SITE Deposited 1999-11-16 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
77–499（423 aa）
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ITU ETHYLISOTHIOUREA × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.3；277 K；LI2SO4, BOG, MES, pH 5.3, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.35 Å R-free 0.298 |
| 1DWV MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and 4-amino tetrahydrobiopterin Deposited 1999-12-14 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
77–496（420 aa）
Fragment：OXYGENASE DOMAIN 65-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 4AB 2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE × 2 ZN ZINC ION × 2 SO4 SULFATE ION × 8 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6；pH 6.00
|
Resolution 2.35 Å R-free 0.286 |
| 1DWV MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and 4-amino tetrahydrobiopterin Deposited 1999-12-14 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
77–496（420 aa）
Fragment：OXYGENASE DOMAIN 65-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 4AB 2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE × 2 ZN ZINC ION × 2 SO4 SULFATE ION × 8 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6；pH 6.00
|
Resolution 2.35 Å R-free 0.286 |
| 1DWW MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and dihydrobiopterin Deposited 1999-12-14 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
77–496（420 aa）
Fragment：OXYGENASE DOMAIN 65-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H2B 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE × 2 ZN ZINC ION × 2 SO4 SULFATE ION × 8 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6；pH 6.00
|
Resolution 2.35 Å R-free 0.288 |
| 1DWW MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and dihydrobiopterin Deposited 1999-12-14 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
77–496（420 aa）
Fragment：OXYGENASE DOMAIN 65-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H2B 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE × 2 ZN ZINC ION × 2 SO4 SULFATE ION × 8 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6；pH 6.00
|
Resolution 2.35 Å R-free 0.288 |
| 1DWX MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and tetrahydrobiopterin Deposited 1999-12-14 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
77–496（420 aa）
Fragment：OXYGENASE DOMAIN 65-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 SO4 SULFATE ION × 2 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6；pH 6.00
|
Resolution 2.60 Å R-free 0.278 |
| 1DWX MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and tetrahydrobiopterin Deposited 1999-12-14 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
77–496（420 aa）
Fragment：OXYGENASE DOMAIN 65-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6；pH 6.00
|
Resolution 2.60 Å R-free 0.278 |
| 1JWJ Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457F Mutation at Tetrahydrobiopterin Binding Site Deposited 2001-09-04 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
Fragment：Oxygenase Domain 65-498
|
Mutation：YES | BOG octyl beta-D-glucopyranoside × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 GOL GLYCEROL × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；Ammonium sulfate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.60 Å R-free 0.257 |
| 1JWJ Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457F Mutation at Tetrahydrobiopterin Binding Site Deposited 2001-09-04 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
Fragment：Oxygenase Domain 65-498
|
Mutation：YES | BOG octyl beta-D-glucopyranoside × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 GOL GLYCEROL × 12 EDO 1,2-ETHANEDIOL × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；Ammonium sulfate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.60 Å R-free 0.257 |
| 1JWK Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457A Mutation at Tetrahydrobiopterin Binding Site Deposited 2001-09-04 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
Fragment：Oxygenase domain 66-498
|
Mutation：YES | BOG octyl beta-D-glucopyranoside × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HBI 7,8-DIHYDROBIOPTERIN × 2 EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Ammonium sulfate, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.244 |
| 1JWK Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457A Mutation at Tetrahydrobiopterin Binding Site Deposited 2001-09-04 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
Fragment：Oxygenase domain 66-498
|
Mutation：YES | BOG octyl beta-D-glucopyranoside × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HBI 7,8-DIHYDROBIOPTERIN × 2 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Ammonium sulfate, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.244 |
| 1M8D inducible nitric oxide synthase with Chlorzoxazone bound Deposited 2002-07-24 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
65–498（434 aa）
Fragment：Oxygenase domain
|
Not recorded | SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 CLW CHLORZOXAZONE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.35 Å R-free 0.268 |
| 1M8D inducible nitric oxide synthase with Chlorzoxazone bound Deposited 2002-07-24 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
65–498（434 aa）
Fragment：Oxygenase domain
|
Not recorded | SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 CLW CHLORZOXAZONE × 2 BOG octyl beta-D-glucopyranoside × 2 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.35 Å R-free 0.268 |
| 1M8E inducible nitric oxide synthase with 7-nitroindazole bound Deposited 2002-07-24 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
65–498（434 aa）
Fragment：oxygenase domain
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 7NI 7-NITROINDAZOLE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.90 Å R-free 0.280 |
| 1M8E inducible nitric oxide synthase with 7-nitroindazole bound Deposited 2002-07-24 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
65–498（434 aa）
Fragment：oxygenase domain
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 7NI 7-NITROINDAZOLE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.90 Å R-free 0.280 |
| 1M8H inducible nitric oxide synthase with 6-nitroindazole bound Deposited 2002-07-24 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
65–498（434 aa）
Fragment：oxygenase domain
|
Not recorded | SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 6NI 6-NITROINDAZOLE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.85 Å R-free 0.294 |
| 1M8H inducible nitric oxide synthase with 6-nitroindazole bound Deposited 2002-07-24 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
65–498（434 aa）
Fragment：oxygenase domain
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 6NI 6-NITROINDAZOLE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.85 Å R-free 0.294 |
| 1M8I inducible nitric oxide synthase with 5-nitroindazole bound Deposited 2002-07-24 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
65–498（434 aa）
Fragment：oxygenase domain
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 5NI 5-NITROINDAZOLE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.70 Å R-free 0.283 |
| 1M8I inducible nitric oxide synthase with 5-nitroindazole bound Deposited 2002-07-24 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
65–498（434 aa）
Fragment：oxygenase domain
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 5NI 5-NITROINDAZOLE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.70 Å R-free 0.283 |
| 1M9T Inducible Nitric Oxide Synthase with 3-Bromo-7-Nitroindazole bound Deposited 2002-09-05 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
65–498（434 aa）
Fragment：oxygenase domain
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 INE 3-BROMO-7-NITROINDAZOLE × 2 EDO 1,2-ETHANEDIOL × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.284 |
| 1M9T Inducible Nitric Oxide Synthase with 3-Bromo-7-Nitroindazole bound Deposited 2002-09-05 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
65–498（434 aa）
Fragment：oxygenase domain
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 INE 3-BROMO-7-NITROINDAZOLE × 2 BOG octyl beta-D-glucopyranoside × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.284 |
| 1N2N Crystal structure of cyanide complex of the oxygenase domain of inducible nitric oxide synthase. Deposited 2002-10-23 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
77–495（419 aa）
Fragment：oxygenase domain
|
Not recorded | CYN CYANIDE ION × 2 ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARG ARGININE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；EPPS, NaCl, glycerol, H4B, beta-mercaptoethanol, beta-octylglycoside, L-Arg, Mes, dithioerithrol, Na-malonate, KCN, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.243 |
| 1N2N Crystal structure of cyanide complex of the oxygenase domain of inducible nitric oxide synthase. Deposited 2002-10-23 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
77–495（419 aa）
Fragment：oxygenase domain
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARG ARGININE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；EPPS, NaCl, glycerol, H4B, beta-mercaptoethanol, beta-octylglycoside, L-Arg, Mes, dithioerithrol, Na-malonate, KCN, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.243 |
| 1NOC MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) COMPLEXED WITH TYPE I E. COLI CHLORAMPHENICOL ACETYL TRANSFERASE AND IMIDAZOLE Deposited 1997-09-28 | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
115–498（384 aa）
Fragment：OXYGENASE DOMAIN 115-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 3 IMD IMIDAZOLE × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.60 Å R-free 0.257 |
| 1NOD MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND SUBSTRATE L-ARGININE Deposited 1998-03-05 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
77–499（423 aa）
Fragment：OXYGENASE DOMAIN 65-498
Chain B
77–499（423 aa）
Fragment：OXYGENASE DOMAIN 65-498
|
Not recorded | SO4 SULFATE ION × 1 ARG ARGININE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.60 Å R-free 0.288 |
| 1NOD MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND SUBSTRATE L-ARGININE Deposited 1998-03-05 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
77–499（423 aa）
Fragment：OXYGENASE DOMAIN 65-498
|
Not recorded | SO4 SULFATE ION × 2 ARG ARGININE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.60 Å R-free 0.288 |
| 1NOD MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND SUBSTRATE L-ARGININE Deposited 1998-03-05 | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
77–499（423 aa）
Fragment：OXYGENASE DOMAIN 65-498
|
Not recorded | ARG ARGININE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.60 Å R-free 0.288 |
| 1NOS MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114), IMIDAZOLE COMPLEX Deposited 1997-09-28 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
115–498（384 aa）
Fragment：OXYGENASE DOMAIN 115-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IMD IMIDAZOLE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.10 Å R-free 0.261 |
| 1QOM MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH SWAPPED N-TERMINAL HOOK Deposited 1999-11-15 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
77–498（422 aa）
Fragment：OXYGENASE DOMAIN, RESIDUES 65-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6；277 K；pH 6.00
|
Resolution 2.70 Å R-free 0.306 |
| 1QOM MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH SWAPPED N-TERMINAL HOOK Deposited 1999-11-15 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
77–498（422 aa）
Fragment：OXYGENASE DOMAIN, RESIDUES 65-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6；277 K；pH 6.00
|
Resolution 2.70 Å R-free 0.306 |
| 1QW4 Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in complex with N-omega-propyl-L-arginine. Deposited 2003-08-31 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
77–495（419 aa）
Fragment：inducible nitric oxide synthase oxygenase domain (residues 77-495)
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 3AR N-OMEGA-PROPYL-L-ARGININE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；MES, sodium malonate, EPPS, NaCl, glycerol, H4B, β-mercaptoethanol, N-omega-propyl-L-Arg., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.251 |
| 1QW4 Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in complex with N-omega-propyl-L-arginine. Deposited 2003-08-31 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
77–495（419 aa）
Fragment：inducible nitric oxide synthase oxygenase domain (residues 77-495)
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 3AR N-OMEGA-PROPYL-L-ARGININE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；MES, sodium malonate, EPPS, NaCl, glycerol, H4B, β-mercaptoethanol, N-omega-propyl-L-Arg., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.251 |
| 1QW5 Murine inducible nitric oxide synthase oxygenase domain in complex with W1400 inhibitor. Deposited 2003-08-31 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
77–495（419 aa）
Fragment：inducible nitric oxide synthase oxygenase domain (residues 77-495)
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 14W N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；MES, sodium-malonate, EPPS, NaCl, glycerol, H4B, β-mercaptoethanol, W1400., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.70 Å R-free 0.264 |
| 1QW5 Murine inducible nitric oxide synthase oxygenase domain in complex with W1400 inhibitor. Deposited 2003-08-31 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
77–495（419 aa）
Fragment：inducible nitric oxide synthase oxygenase domain (residues 77-495)
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 14W N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；MES, sodium-malonate, EPPS, NaCl, glycerol, H4B, β-mercaptoethanol, W1400., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.70 Å R-free 0.264 |
| 1R35 MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER, TETRAHYDROBIOPTERIN AND 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE Deposited 2003-09-30 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
Fragment：OXYGENASE DOMAIN (RESIDUES 66-498)
Chain B
66–498（433 aa）
Fragment：OXYGENASE DOMAIN (RESIDUES 66-498)
|
Not recorded | SO4 SULFATE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 I58 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE × 2 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.30 Å R-free 0.285 |
| 1R35 MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER, TETRAHYDROBIOPTERIN AND 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE Deposited 2003-09-30 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
Fragment：OXYGENASE DOMAIN (RESIDUES 66-498)
|
Not recorded | SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 I58 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE × 2 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.30 Å R-free 0.285 |
| 1R35 MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER, TETRAHYDROBIOPTERIN AND 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE Deposited 2003-09-30 | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
Fragment：OXYGENASE DOMAIN (RESIDUES 66-498)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 I58 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE × 2 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.30 Å R-free 0.285 |
| 1VAF Inducible nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 Deposited 2004-02-16 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
77–495（419 aa）
Fragment：Inducible Nitric Oxide Synthase Oxygenase Domain (residues 77-495)
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARR N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；MES, SODIUM-MALONATE, EPPS, NACL, GLYCEROL, H4B, beta-MERCAPTOETHANOL, AR-R17477, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.90 Å R-free 0.262 |
| 1VAF Inducible nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 Deposited 2004-02-16 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
77–495（419 aa）
Fragment：Inducible Nitric Oxide Synthase Oxygenase Domain (residues 77-495)
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARR N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；MES, SODIUM-MALONATE, EPPS, NACL, GLYCEROL, H4B, beta-MERCAPTOETHANOL, AR-R17477, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.90 Å R-free 0.262 |
| 2BHJ murine iNO synthase with coumarin inhibitor Deposited 2005-01-12 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
77–498（422 aa）
Fragment：RESIDUES 77-498, OXYGENASE DOMAIN
|
Not recorded | FC1 THIOCOUMARIN × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HBI 7,8-DIHYDROBIOPTERIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7；1.7 M AMMONIUM SULFATE - 50 MM HEPES PH 7 - 5 MM TCEP - 40 MM N-OCTYL BD-GLUCOPYRANOSIDE
|
Resolution 3.20 Å R-free 0.323 |
| 2NOD MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND WATER BOUND IN ACTIVE CENTER Deposited 1998-03-05 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
77–499（423 aa）
Fragment：OXYGENASE DOMAIN 65-498
|
Not recorded | SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.60 Å R-free 0.289 |
| 2NOD MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND WATER BOUND IN ACTIVE CENTER Deposited 1998-03-05 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
77–499（423 aa）
Fragment：OXYGENASE DOMAIN 65-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.60 Å R-free 0.289 |
| 2NOS MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114), AMINOGUANIDINE COMPLEX Deposited 1997-09-28 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
115–498（384 aa）
Fragment：OXYGENASE DOMAIN 115-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IMD IMIDAZOLE × 1 AGU AMINOGUANIDINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.30 Å R-free 0.267 |
| 2ORO Murine inducible nitric oxide synthase oxygenase domain (delta 114) (r)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidine-2-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-amide complex Deposited 2007-02-04 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
114–498（385 aa）
Fragment：OXYGENASE DOMAIN, RESIDUES 114-498
|
Not recorded | SO3 SULFITE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 228 N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.7；308 K；CRYSTALS OF MURINE DELTA114 INOS WERE PREPARED IN THE PRESENCE OF
IMIDAZOLE FOLLOWING THE PROCEDURES OF CRANE ET AL. (REFERENCE 1) AS
FOLLOWS: THE 6 UL CRYSTALLIZATION DROPS CONTAINED 20 MG/ML MURINE
DELTA114 INOS, 20 MM HEPES PH 7.6, 5 % GLYCEROL, 0.5 MM DTT, 6.8 %
PEG-3350, 60 MM NA2SO3, AND 50 MM IMIDAZOLE/ MALATE BUFFER PH 4.7 WERE
PLACED OVER A 1 ML RESERVOIR CONTAINING 13.6 % PEG-3350, 120 MM
NA2SO3, AND 100 MM IMIDAZOLE/MALATE BUFFER PH 4.7. THESE CRYSTALS WERE
SOAKED FOR 25 HOURS IN 5 UM (R)-1-(2-Imidazol-1-yl-6-
methyl-pyrimidin-4-yl)-pyrrolidine-2-carboxylic acid
(2-benzo[1,3]dioxol-5-yl-ethyl)-amide, 14 % PEG-3350, 1 MM NAN3, 50 MM
MES PH 6.5 AND 50 MM NA2SO3., pH 4.70, VAPOR DIFFUSION, HANGING DROP, temperature 308K
|
Resolution 2.00 Å R-free 0.244 |
| 2ORP Murine inducible nitric oxide synthase oxygenase domain (delta 114) 2-[4-(2-Imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide complex Deposited 2007-02-04 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
114–498（385 aa）
Fragment：OXYGENASE DOMAIN, RESIDUES 114-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 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 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.7；308 K；CRYSTALS OF MURINE DELTA114 INOS WERE PREPARED IN THE PRESENCE OF
IMIDAZOLE FOLLOWING THE PROCEDURES OF CRANE ET AL. (REFERENCE 1) AS
FOLLOWS: THE 6 UL CRYSTALLIZATION DROPS CONTAINED 20 MG/ML MURINE
DELTA114 INOS, 20 MM HEPES PH 7.6, 5 % GLYCEROL, 0.5 MM DTT, 6.8 %
PEG-3350, 60 MM NA2SO3, AND 50 MM IMIDAZOLE/ MALATE BUFFER PH 4.7 WERE
PLACED OVER A 1 ML RESERVOIR CONTAINING 13.6 % PEG-3350, 120 MM
NA2SO3, AND 100 MM IMIDAZOLE/MALATE BUFFER PH 4.7. THESE CRYSTALS WERE
SOAKED FOR 25 HOURS IN 5 UM 2-[4-(2-Imidazol-1-yl-6-
methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N-
[2-(4-methoxy-phenyl)-ethyl]-acetamide, 14 % PEG-3350, 1 MM NAN3, 50
MM MES PH 6.5 AND 50 MM NA2SO3. THE, pH 4.70, VAPOR DIFFUSION, HANGING DROP, temperature 308K
|
Resolution 1.97 Å R-free 0.252 |
| 2ORQ Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex Deposited 2007-02-04 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
114–498（385 aa）
Fragment：OXYGENASE DOMAIN 114-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 MSR 4-(1H-IMIDAZOL-1-YL)PHENOL × 2 MR1 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.7；308 K；CRYSTALS OF MURINE DELTA114 INOS WERE PREPARED IN THE PRESENCE OF IMIDAZOLE FOLLOWING THE PROCEDURES OF CRANE ET AL. (REFERENCE 3) AS FOLLOWS: THE 6 UL CRYSTALLIZATION DROPS CONTAINED 20 MG/ML MURINE DELTA114 INOS, 20 MM HEPES PH 7.6, 5 % GLYCEROL, 0.5 MM DTT, 6.8 % PEG-3350, 60 MM NA2SO3, AND 50 MM IMIDAZOLE/ MALATE BUFFER PH 4.7 WERE PLACED OVER A 1 ML RESERVOIR CONTAINING 13.6 % PEG-3350, 120 MM NA2SO3, AND 100 MM IMIDAZOLE/MALATE BUFFER PH 4.7. THESE CRYSTALS WERE SOAKED FOR 25 HOURS IN ?? UM 4-(imidazol-1-yl)phenol and ?? UM piperonylamine, 14 % PEG-3350, 1 MM NAN3, 50 MM MES PH 6.5 AND 50 MM NA2SO3. THE, pH 4.70, VAPOR DIFFUSION, HANGING DROP, temperature 308K
|
Resolution 2.10 Å R-free 0.243 |
| 2ORR Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-pyrimidine Complex Deposited 2007-02-04 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
114–498（385 aa）
Fragment：OXYGENASE DOMAIN 114-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 333 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE × 2 EDO 1,2-ETHANEDIOL × 8 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.7；308 K；CRYSTALS OF MURINE DELTA114 INOS WERE PREPARED IN THE PRESENCE OF IMIDAZOLE FOLLOWING THE PROCEDURES OF CRANE ET AL. (REFERENCE 3) AS FOLLOWS: THE 6 UL CRYSTALLIZATION DROPS CONTAINED 20 MG/ML MURINE DELTA114 INOS, 20 MM HEPES PH 7.6, 5 % GLYCEROL, 0.5 MM DTT, 6.8 % PEG-3350, 60 MM NA2SO3, AND 50 MM IMIDAZOLE/ MALATE BUFFER PH 4.7 WERE PLACED OVER A 1 ML RESERVOIR CONTAINING 13.6 % PEG-3350, 120 MM NA2SO3, AND 100 MM IMIDAZOLE/MALATE BUFFER PH 4.7. THESE CRYSTALS WERE SOAKED FOR 25 HOURS IN 5 UM 4-(Benzo[1,3]dioxol-5-yloxy)- 2-(4-imidazol-1-yl-phenoxy)-pyrimidine, 14 % PEG-3350, 1 MM NAN3, 50 MM MES PH 6.5 AND 50 MM NA2SO3. THE, pH 4.70, VAPOR DIFFUSION, HANGING DROP, temperature 308K
|
Resolution 2.00 Å R-free 0.252 |
| 2ORS Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex Deposited 2007-02-04 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
114–498（385 aa）
Fragment：OXYGENASE DOMAIN 114-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 391 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE × 2 EDO 1,2-ETHANEDIOL × 12 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.7；308 K；CRYSTALS OF MURINE DELTA114 INOS WERE PREPARED IN THE PRESENCE OF IMIDAZOLE FOLLOWING THE PROCEDURES OF CRANE ET AL. (REFERENCE 3) AS FOLLOWS: THE 6 UL CRYSTALLIZATION DROPS CONTAINED 20 MG/ML MURINE DELTA114 INOS, 20 MM HEPES PH 7.6, 5 % GLYCEROL, 0.5 MM DTT, 6.8 % PEG-3350, 60 MM NA2SO3, AND 50 MM IMIDAZOLE/ MALATE BUFFER PH 4.7 WERE PLACED OVER A 1 ML RESERVOIR CONTAINING 13.6 % PEG-3350, 120 MM NA2SO3, AND 100 MM IMIDAZOLE/MALATE BUFFER PH 4.7. THESE CRYSTALS WERE SOAKED FOR 25 HOURS IN 5 UM 4-(Benzo[1,3]dioxol-5-yloxy)- 2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine, 14 % PEG-3350, 1 MM NAN3, 50 MM MES PH 6.5 AND 50 MM NA2SO3. THE, pH 4.70, VAPOR DIFFUSION, HANGING DROP, temperature 308K
|
Resolution 2.00 Å R-free 0.237 |
| 2ORT Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 1-Benzo[1,3]dioxol-5-ylmethyl-3S-(4-imidazol-1-yl-phenoxy)-piperidine Complex Deposited 2007-02-04 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
114–498（385 aa）
Fragment：OXYGENASE DOMAIN 114-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 342 (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.7；308 K；CRYSTALS OF MURINE DELTA114 INOS WERE PREPARED IN THE PRESENCE OF IMIDAZOLE FOLLOWING THE PROCEDURES OF CRANE ET AL. (REFERENCE 4) AS FOLLOWS: THE 6 UL CRYSTALLIZATION DROPS CONTAINED 20 MG/ML MURINE DELTA114 INOS, 20 MM HEPES PH 7.6, 5 % GLYCEROL, 0.5 MM DTT, 6.8 % PEG-3350, 60 MM NA2SO3, AND 50 MM IMIDAZOLE/ MALATE BUFFER PH 4.7 WERE PLACED OVER A 1 ML RESERVOIR CONTAINING 13.6 % PEG-3350, 120 MM NA2SO3, AND 100 MM IMIDAZOLE/MALATE BUFFER PH 4.7. THESE CRYSTALS WERE SOAKED FOR 25 HOURS IN 5 UM 1-Benzo[1,3]dioxol-5-ylmethyl- 3-(4-imidazol-1-yl-phenoxy)-piperidine, 14 % PEG-3350, 1 MM NAN3, 50 MM MES PH 6.5 AND 50 MM NA2SO3. THE, pH 4.70, VAPOR DIFFUSION, HANGING DROP, temperature 308K
|
Resolution 1.87 Å R-free 0.240 |
| 2Y37 The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) Deposited 2010-12-19 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
Fragment：OXYGENASE DOMAIN, RESIDUES 66-498
|
Not recorded | SO4 SULFATE ION × 4 GOL GLYCEROL × 2 A54 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.4；pH 6.4
|
Resolution 2.60 Å R-free 0.242 |
| 2Y37 The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) Deposited 2010-12-19 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
Fragment：OXYGENASE DOMAIN, RESIDUES 66-498
|
Not recorded | SO4 SULFATE ION × 2 GOL GLYCEROL × 2 A54 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.4；pH 6.4
|
Resolution 2.60 Å R-free 0.242 |
| 3DWJ Heme-proximal W188H mutant of inducible nitric oxide synthase Deposited 2008-07-22 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–496（431 aa）
Fragment：OXYGENASE DOMAIN 66-496
|
Mutation：W188H | SO4 SULFATE ION × 2 NH4 AMMONIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 5.3；277 K；0.7-1.2M (NH4)2SO4, 0.1M MES, pH 4.9-5.7, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.75 Å R-free 0.294 |
| 3DWJ Heme-proximal W188H mutant of inducible nitric oxide synthase Deposited 2008-07-22 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–496（431 aa）
Fragment：OXYGENASE DOMAIN 66-496
|
Mutation：W188H | NH4 AMMONIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 5.3；277 K；0.7-1.2M (NH4)2SO4, 0.1M MES, pH 4.9-5.7, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.75 Å R-free 0.294 |
| 3E65 Murine INOS dimer with HEME, pterin and inhibitor AR-C120011 Deposited 2008-08-14 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
Fragment：oxygenase domain (UNP residues 77-496)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XXZ 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；50 MM MES, 5% BOG, 25% LI2SO4, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.05 Å R-free 0.271 |
| 3E65 Murine INOS dimer with HEME, pterin and inhibitor AR-C120011 Deposited 2008-08-14 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
Fragment：oxygenase domain (UNP residues 77-496)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XXZ 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；50 MM MES, 5% BOG, 25% LI2SO4, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.05 Å R-free 0.271 |
| 3E67 Murine inos dimer with inhibitor 4-MAP bound Deposited 2008-08-14 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
Fragment：oxygenase domain (UNP residues 77-496)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 BVF 4-METHYLPYRIDIN-2-AMINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；50 mM MES pH 5.3, 25% LITHIUM SULFATE, 5% B-OCTYL-GLUCODISE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.60 Å R-free 0.268 |
| 3E67 Murine inos dimer with inhibitor 4-MAP bound Deposited 2008-08-14 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
Fragment：oxygenase domain (UNP residues 77-496)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 BVF 4-METHYLPYRIDIN-2-AMINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；50 mM MES pH 5.3, 25% LITHIUM SULFATE, 5% B-OCTYL-GLUCODISE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.60 Å R-free 0.268 |
| 3E68 Structure of murine INOS oxygenase domain with inhibitor AR-C130232 Deposited 2008-08-14 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
Fragment：UNP residues 66-498
|
Not recorded | BOG octyl beta-D-glucopyranoside × 2 SO4 SULFATE ION × 6 AT6 N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 EDO 1,2-ETHANEDIOL × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；Lithium Sulfate, MES, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.20 Å R-free 0.275 |
| 3E68 Structure of murine INOS oxygenase domain with inhibitor AR-C130232 Deposited 2008-08-14 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
Fragment：UNP residues 66-498
|
Not recorded | BOG octyl beta-D-glucopyranoside × 2 SO4 SULFATE ION × 4 AT6 N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 EDO 1,2-ETHANEDIOL × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；Lithium Sulfate, MES, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.20 Å R-free 0.275 |
| 3E6L Structure of murine INOS oxygenase domain with inhibitor AR-C132283 Deposited 2008-08-15 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
Fragment：UNP residues 66-498
|
Not recorded | BOG octyl beta-D-glucopyranoside × 2 SO4 SULFATE ION × 12 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A11 ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；lithium sulfate, hepes, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.244 |
| 3E6L Structure of murine INOS oxygenase domain with inhibitor AR-C132283 Deposited 2008-08-15 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
Fragment：UNP residues 66-498
|
Not recorded | BOG octyl beta-D-glucopyranoside × 2 SO4 SULFATE ION × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A11 ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；lithium sulfate, hepes, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.244 |
| 3E6N Structure of murine INOS oxygenase domain with inhibitor AR-C125813 Deposited 2008-08-15 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
Fragment：UNP residues 66-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 AS3 4-METHYL-6-PROPYLPYRIDIN-2-AMINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；LITHIUM SULFATE, MES, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.40 Å R-free 0.270 |
| 3E6N Structure of murine INOS oxygenase domain with inhibitor AR-C125813 Deposited 2008-08-15 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
Fragment：UNP residues 66-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 AS3 4-METHYL-6-PROPYLPYRIDIN-2-AMINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；LITHIUM SULFATE, MES, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.40 Å R-free 0.270 |
| 3E6O Structure of murine INOS oxygenase domain with inhibitor AR-C124355 Deposited 2008-08-15 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
Fragment：UNP residues 66-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A55 N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6；277 K；Lithium sulfate, MES, BOG, pH 6.0, VAPOR DIFFUSION, temperature 277K
|
Resolution 2.60 Å R-free 0.262 |
| 3E6O Structure of murine INOS oxygenase domain with inhibitor AR-C124355 Deposited 2008-08-15 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
Fragment：UNP residues 66-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A55 N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6；277 K；Lithium sulfate, MES, BOG, pH 6.0, VAPOR DIFFUSION, temperature 277K
|
Resolution 2.60 Å R-free 0.262 |
| 3E6T Structure of murine INOS oxygenase domain with inhibitor AR-C118901 Deposited 2008-08-15 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
Fragment：UNP residues 66-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 1A2 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；Lithium Sulfate, MES, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.267 |
| 3E6T Structure of murine INOS oxygenase domain with inhibitor AR-C118901 Deposited 2008-08-15 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
Fragment：UNP residues 66-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 1A2 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；Lithium Sulfate, MES, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.267 |
| 3E7I Structure of murine inos oxygenase domain with inhibitor AR-C94864 Deposited 2008-08-18 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
|
Not recorded | SO4 SULFATE ION × 2 ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 B2 (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；LITHIUM SULFATE, MES, BOG, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
|
Resolution 2.90 Å R-free 0.295 |
| 3E7I Structure of murine inos oxygenase domain with inhibitor AR-C94864 Deposited 2008-08-18 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 B2 (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；LITHIUM SULFATE, MES, BOG, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
|
Resolution 2.90 Å R-free 0.295 |
| 3E7M Structure of murine iNOS oxygenase domain with inhibitor AR-C95791 Deposited 2008-08-18 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 AT2 ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE × 2 EDO 1,2-ETHANEDIOL × 4 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.237 |
| 3E7M Structure of murine iNOS oxygenase domain with inhibitor AR-C95791 Deposited 2008-08-18 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 AT2 ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE × 2 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.237 |
| 3E7T Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 Deposited 2008-08-18 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
|
Not recorded | SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HBI 7,8-DIHYDROBIOPTERIN × 2 B14 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；LITHIUM SULFATE, MES, BOG, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
|
Resolution 2.60 Å R-free 0.263 |
| 3E7T Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 Deposited 2008-08-18 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HBI 7,8-DIHYDROBIOPTERIN × 2 B14 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；LITHIUM SULFATE, MES, BOG, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
|
Resolution 2.60 Å R-free 0.263 |
| 3EAI Structure of inhibited murine iNOS oxygenase domain Deposited 2008-08-25 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 328 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile × 2 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.20 Å |
| 3EAI Structure of inhibited murine iNOS oxygenase domain Deposited 2008-08-25 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 328 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile × 2 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.20 Å |
| 3EBD Structure of inhibited murine iNOS oxygenase domain Deposited 2008-08-27 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 329 (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine × 2 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.40 Å R-free 0.248 |
| 3EBD Structure of inhibited murine iNOS oxygenase domain Deposited 2008-08-27 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 329 (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine × 2 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.40 Å R-free 0.248 |
| 3EBF Structure of inhibited murine iNOS oxygenase domain Deposited 2008-08-27 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 332 (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine × 2 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.29 Å R-free 0.242 |
| 3EBF Structure of inhibited murine iNOS oxygenase domain Deposited 2008-08-27 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 332 (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine × 2 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.29 Å R-free 0.242 |
| 3GOF Calmodulin bound to peptide from macrophage nitric oxide synthase Deposited 2009-03-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
503–518（16 aa）
Fragment：Calcium binding domain
|
Not recorded | CA CALCIUM ION × 4 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.6；298 K；0.2 M ammonium sulfate, 0.1 M sodium acetate pH 4.6, 20% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.45 Å R-free 0.208 |
| 3GOF Calmodulin bound to peptide from macrophage nitric oxide synthase Deposited 2009-03-19 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
503–518（16 aa）
Fragment：Calcium binding domain
|
Not recorded | CA CALCIUM ION × 4 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.6；298 K；0.2 M ammonium sulfate, 0.1 M sodium acetate pH 4.6, 20% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.45 Å R-free 0.208 |
| 3NOD MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND PRODUCT ANALOGUE L-THIOCITRULLINE Deposited 1998-03-06 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
77–499（423 aa）
Fragment：OXYGENASE DOMAIN 65-498
|
Not recorded | SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 SCI L-THIOCITRULLINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.70 Å R-free 0.286 |
| 3NOD MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND PRODUCT ANALOGUE L-THIOCITRULLINE Deposited 1998-03-06 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
77–499（423 aa）
Fragment：OXYGENASE DOMAIN 65-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 SCI L-THIOCITRULLINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.70 Å R-free 0.286 |
| 3NQS Crystal Structure of Inducible Nitric Oxide Synthase with N-Nitrosated-pterin Deposited 2010-06-29 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–498（433 aa）
Fragment：UNP residues 66-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 NO NITRIC OXIDE × 2 AT2 ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE × 2 GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 4 SO4 SULFATE ION × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.3；278 K；25% Li2SO4, 5% BOG, 50 mM MES, 50 mM CysNO, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.20 Å R-free 0.229 |
| 3NQS Crystal Structure of Inducible Nitric Oxide Synthase with N-Nitrosated-pterin Deposited 2010-06-29 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–498（433 aa）
Fragment：UNP residues 66-498
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 NO NITRIC OXIDE × 2 AT2 ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE × 2 EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 4 BOG octyl beta-D-glucopyranoside × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.3；278 K；25% Li2SO4, 5% BOG, 50 mM MES, 50 mM CysNO, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.20 Å R-free 0.229 |
| 3NW2 Novel nanomolar Imidazopyridines as selective Nitric Oxide Synthase (iNOS) inhibitors: SAR and structural insights Deposited 2010-07-09 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
77–499（423 aa）
Fragment：RESIDUES 77-499
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 SO4 SULFATE ION × 2 MPW 2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；1M ammonium sulfate, 33.3mM Mes buffer pH 6.0, 6.7mM DTT, 6.7mM BH4, 5% beta-octyl glycoside, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.80 Å R-free 0.323 |
| 3NW2 Novel nanomolar Imidazopyridines as selective Nitric Oxide Synthase (iNOS) inhibitors: SAR and structural insights Deposited 2010-07-09 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
77–499（423 aa）
Fragment：RESIDUES 77-499
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 MPW 2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；1M ammonium sulfate, 33.3mM Mes buffer pH 6.0, 6.7mM DTT, 6.7mM BH4, 5% beta-octyl glycoside, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.80 Å R-free 0.323 |
| 4JS9 Structural Characterization of Inducible Nitric Oxide Synthase Substituted With Mesoheme Deposited 2013-03-22 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
66–496（431 aa）
Fragment：OXYGENASE DOMAIN 66-496
|
Not recorded | MH0 Mesoheme × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.3；277 K；3.5% octyl-glucoside, 20% glycerol, 0.7M ammonium sulfate, 0.1M 2-(N-morpholino)ethanesulfonic acid, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
|
Resolution 2.78 Å R-free 0.290 |
| 4JS9 Structural Characterization of Inducible Nitric Oxide Synthase Substituted With Mesoheme Deposited 2013-03-22 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
66–496（431 aa）
Fragment：OXYGENASE DOMAIN 66-496
|
Not recorded | MH0 Mesoheme × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.3；277 K；3.5% octyl-glucoside, 20% glycerol, 0.7M ammonium sulfate, 0.1M 2-(N-morpholino)ethanesulfonic acid, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
|
Resolution 2.78 Å R-free 0.290 |
| 4UX6 The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) Deposited 2014-08-19 | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain A
77–100（24 aa）
Fragment：OXYGENASE DOMAIN, UNP RESIDUES 77-100
Chain B
108–496（389 aa）
Fragment：UNP RESIDUES 108-496
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 YWO O-(5-methyl-2-nitrophenyl)-D-tyrosinamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.4；pH 6.4
|
Resolution 3.00 Å |