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1VAX
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BU of 1vax by Molmil
Crystal Structure of Uricase from Arthrobacter globiformis
分子名称: Uric acid oxidase
著者Hossain, M.T, Suzuki, K, Yamamoto, T, Imamura, S, Sekiguchi, T, Takenaka, A.
登録日2004-02-19
公開日2005-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal Structure of Uricase from Arthrobacter globiformis
To be Published
1V5G
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BU of 1v5g by Molmil
Crystal Structure of the Reaction Intermediate between Pyruvate oxidase containing FAD and TPP, and Substrate Pyruvate
分子名称: 2-ACETYL-THIAMINE DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Hossain, M.T, Suzuki, K, Yamamoto, T, Imamura, S, Sekiguchi, T, Takenaka, A.
登録日2003-11-22
公開日2005-06-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The structures of pyruvate oxidase from Aerococcus viridans with cofactors and with a reaction intermediate reveal the flexibility of the active-site tunnel for catalysis.
Acta Crystallogr.,Sect.F, 63, 2007
1V5F
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BU of 1v5f by Molmil
Crystal Structure of Pyruvate oxidase complexed with FAD and TPP, from Aerococcus viridans
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, Pyruvate oxidase, ...
著者Hossain, M.T, Suzuki, K, Yamamoto, T, Imamura, S, Sekiguchi, T, Takenaka, A.
登録日2003-11-22
公開日2005-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structures of pyruvate oxidase from Aerococcus viridans with cofactors and with a reaction intermediate reveal the flexibility of the active-site tunnel for catalysis.
Acta Crystallogr.,Sect.F, 63, 2007
2DJI
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BU of 2dji by Molmil
Crystal Structure of Pyruvate Oxidase from Aerococcus viridans containing FAD
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Pyruvate oxidase, SULFATE ION
著者Juan, E.C.M, Hossain, M.T, Suzuki, K, Yamamoto, T, Imamura, S, Sekiguchi, T, Takenaka, A.
登録日2006-04-03
公開日2007-05-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structures of pyruvate oxidase from Aerococcus viridans with cofactors and with a reaction intermediate reveal the flexibility of the active-site tunnel for catalysis.
Acta Crystallogr.,Sect.F, 63, 2007
1V5E
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BU of 1v5e by Molmil
Crystal Structure of Pyruvate oxidase containing FAD, from Aerococcus viridans
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Pyruvate oxidase, SULFATE ION
著者Hossain, M.T, Suzuki, K, Yamamoto, T, Imamura, S, Sekiguchi, T, Takenaka, A.
登録日2003-11-22
公開日2005-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Pyruvate oxidase containing FAD, from Aerococcus viridans
To be Published
1VAY
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BU of 1vay by Molmil
Crystal Structure of Uricase from Arthrobacter globiformis with inhibitor 8-azaxanthine
分子名称: 8-AZAXANTHINE, Uric acid oxidase
著者Hossain, M.T, Suzuki, K, Yamamoto, T, Imamura, S, Sekiguchi, T, Takenaka, A.
登録日2004-02-19
公開日2005-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Crystal Structure of Uricase from Arthrobacter Globiformis Complexed with an inhibitor 8-Azaxanthine
To be Published
3VW8
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BU of 3vw8 by Molmil
Crystal structure of human c-Met kinase domain with its inhibitor
分子名称: CHLORIDE ION, Hepatocyte growth factor receptor, N-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacetamide
著者Matsumoto, S, Miyamoto, N, Hirayama, T, Oki, H, Okada, K, Tawada, M, Iwata, H, Miki, H, Nakamura, K, Hori, A, Imamura, S.
登録日2012-08-08
公開日2013-08-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design, synthesis, and evaluation of imidazo[1,2-b]pyridazine and imidazo[1,2-a]pyridine derivatives as novel dual c-Met and VEGFR2 kinase inhibitors.
Bioorg.Med.Chem., 21, 2013
3VDR
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BU of 3vdr by Molmil
Crystal structure of D-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate D-3-hydroxybutyrate and NAD(+)
分子名称: (3R)-3-hydroxybutanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ACETOACETIC ACID, ...
著者Hoque, M.M, Shimizu, S, Juan, E.C.M, Sato, Y, Hossain, M.T, Yamamoto, T, Imamura, S, Amano, H, Suzuki, K, Sekiguchi, T, Tsunoda, M, Takenaka, A.
登録日2012-01-06
公開日2012-02-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of D-3-hydroxybutyrate dehydrogenase prepared in the presence of the substrate D-3-hydroxybutyrate and NAD+.
Acta Crystallogr.,Sect.F, 65, 2009
3VHK
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BU of 3vhk by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a back pocket binder
分子名称: 1,2-ETHANEDIOL, Vascular endothelial growth factor receptor 2, {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol
著者Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H.
登録日2011-08-25
公開日2012-09-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
3VID
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BU of 3vid by Molmil
Crystal structure of human VEGFR2 kinase domain with Compound A.
分子名称: 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole, Vascular endothelial growth factor receptor 2
著者Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H.
登録日2011-09-29
公開日2012-08-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
4AOF
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BU of 4aof by Molmil
Selective small molecule inhibitor discovered by chemoproteomic assay platform reveals regulation of Th17 cell differentiation by PI3Kgamma
分子名称: N-[6-(5-methylsulfonylpyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
著者Bergamini, G, Bell, K, Shimamura, S, Werner, T, Cansfield, A, Muller, K, Perrin, J, Rau, C, Ellard, K, Hopf, C, Doce, C, Leggate, D, Mangano, R, Mathieson, T, OMahony, A, Plavec, I, Rharbaoui, F, Reinhard, F, Savitski, M.M, Ramsden, N, Hirsch, E, Drewes, G, Rausch, O, Bantscheff, M, Neubauer, G.
登録日2012-03-26
公開日2012-05-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A Selective Inhibitor Reveals Pi3Kgamma Dependence of T(H)17 Cell Differentiation.
Nat.Chem.Biol., 8, 2012
6WL6
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BU of 6wl6 by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(2R)-1-AMINO-4-METHYLPENTAN-2-YL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE
分子名称: 6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2020-04-18
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
6P4V
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BU of 6p4v by Molmil
1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, ...
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2019-05-28
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
6PGR
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BU of 6pgr by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-BROMO-N-(1H-INDOL-4-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE
分子名称: 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide, Deoxyhypusine synthase
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2019-06-24
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
6WKZ
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BU of 6wkz by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(1R)-2-AMINO-1-PHENYLETHYL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE
分子名称: 6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2020-04-17
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
1LWB
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BU of 1lwb by Molmil
Crystal structure of prokaryotic phospholipase A2 at atomic resolution
分子名称: putative secreted protein
著者Matoba, Y, Sugiyama, M.
登録日2002-05-31
公開日2003-06-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Atomic resolution structure of prokaryotic phospholipase A2: Analysis of internal motion and implication for a catalytic mechanism.
PROTEINS: STRUCT.,FUNCT.,GENET., 51, 2003
4HY4
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BU of 4hy4 by Molmil
Crystal structure of cIAP1 BIR3 bound to T3170284
分子名称: (3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Dougan, D.R, Mol, C.D, Snell, G.P.
登録日2012-11-12
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.249 Å)
主引用文献Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic.
J.Med.Chem., 56, 2013
4HY5
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BU of 4hy5 by Molmil
Crystal structure of cIAP1 BIR3 bound to T3256336
分子名称: (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Dougan, D.R, Snell, G.P.
登録日2012-11-13
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic.
J.Med.Chem., 56, 2013
4HY0
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BU of 4hy0 by Molmil
Crystal structure of XIAP BIR3 with T3256336
分子名称: (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Snell, G.S, Dougan, D.R.
登録日2012-11-12
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic.
J.Med.Chem., 56, 2013
1IT4
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BU of 1it4 by Molmil
Solution structure of the prokaryotic Phospholipase A2 from Streptomyces violaceoruber
分子名称: CALCIUM ION, phospholipase A2
著者Ohtani, K, Sugiyama, M, Izuhara, M, Koike, T.
登録日2002-01-08
公開日2002-09-04
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献A novel prokaryotic phospholipase A2. Characterization, gene cloning, and solution structure.
J.BIOL.CHEM., 277, 2002
1IT5
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BU of 1it5 by Molmil
Solution structure of apo-type PLA2 from Streptomyces violaceruber A-2688.
分子名称: Phospholipase A2
著者Sugiyama, M, Ohtani, K, Izuhara, M, Koike, T.
登録日2002-01-09
公開日2002-09-04
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献A novel prokaryotic phospholipase A2. Characterization, gene cloning, and solution structure.
J.Biol.Chem., 277, 2002
2YZ7
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BU of 2yz7 by Molmil
X-ray analyses of 3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis
分子名称: CALCIUM ION, CHLORIDE ION, D-3-hydroxybutyrate dehydrogenase
著者Hoque, M.M, Juan, E.C.M, Shimizu, S, Hossain, M.T, Takenaka, A.
登録日2007-05-04
公開日2008-04-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The structures of Alcaligenes faecalisD-3-hydroxybutyrate dehydrogenase before and after NAD(+) and acetate binding suggest a dynamical reaction mechanism as a member of the SDR family.
Acta Crystallogr.,Sect.D, 64, 2008
3VDQ
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BU of 3vdq by Molmil
Crystal structure of alcaligenes faecalis D-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate
分子名称: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
著者Hoque, M.M, Shimizu, S, Hossain, M.T, Yamamoto, T, Suzuki, K, Takenaka, A.
登録日2012-01-06
公開日2012-02-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structures of Alcaligenes faecalis D-3-hydroxybutyrate dehydrogenase before and after NAD+ and acetate binding suggest a dynamical reaction mechanism as a member of the SDR family.
Acta Crystallogr.,Sect.D, 64, 2008
3VO3
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BU of 3vo3 by Molmil
Crystal Structure of the Kinase domain of Human VEGFR2 with imidazo[1,2-b]pyridazine derivative
分子名称: 1,2-ETHANEDIOL, N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide, Vascular endothelial growth factor receptor 2
著者Oki, H, Okada, K.
登録日2012-01-19
公開日2013-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide (TAK-593), a highly potent VEGFR2 kinase inhibitor
Bioorg.Med.Chem., 21, 2013
3VHE
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Crystal structure of human VEGFR2 kinase domain with a novel pyrrolopyrimidine inhibitor.
分子名称: 1-{2-fluoro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(trifluoromethyl)phenyl]urea, Vascular endothelial growth factor receptor 2
著者Oguro, Y, Miyamoto, N, Okada, K, Takagi, T, Iwata, H, Awazu, Y, Miki, H, Hori, A, Kamiyama, K, Imanura, S.
登録日2011-08-24
公開日2011-11-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design, synthesis, and evaluation of 5-methyl-4-phenoxy-5H-pyrrolo[3,2-d]pyrimidine derivatives: novel VEGFR2 kinase inhibitors binding to inactive kinase conformation.
Bioorg.Med.Chem., 18, 2010

 

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