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PDB: 1814 件
3LXN
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Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6
分子名称: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Non-receptor tyrosine-protein kinase TYK2
著者Chrencik, J.E, Benson, T.E.
登録日2010-02-25
公開日2010-06-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
3LXP
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Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6
分子名称: 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Non-receptor tyrosine-protein kinase TYK2
著者Chrencik, J.E, Benson, T.E.
登録日2010-02-25
公開日2010-06-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
3LXK
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Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6
分子名称: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase JAK3
著者Chrencik, J.E, Patny, A, Leung, I.K, Korniski, B, Emmons, T.L, Benson, T.E.
登録日2010-02-25
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
3LXL
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Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6
分子名称: 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Tyrosine-protein kinase JAK3
著者Chrencik, J.E, Benson, T.E.
登録日2010-02-25
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
4PAD
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Binding of chloromethyl ketone substrate analogues to crystalline papain
分子名称: N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide, PAPAIN
著者Drenth, J.
登録日1976-11-01
公開日1977-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding of chloromethyl ketone substrate analogues to crystalline papain.
Biochemistry, 15, 1976
4Z36
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Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-3080573
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid, Lysophosphatidic acid receptor 1,Soluble cytochrome b562
著者Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR)
登録日2015-03-30
公開日2015-06-03
最終更新日2015-07-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
4Z34
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Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO9780307
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, Lysophosphatidic acid receptor 1, Soluble cytochrome b562, ...
著者Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR)
登録日2015-03-30
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
3R8A
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X-ray crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a compound with dual PPAR gamma agonism and Angiotensin II Type I receptor antagonism activity
分子名称: 2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine, Peroxisome proliferator-activated receptor gamma
著者Ohren, J.F.
登録日2011-03-23
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Discovery of a Series of Imidazo[4,5-b]pyridines with Dual Activity at Angiotensin II Type 1 Receptor and Peroxisome Proliferator-Activated Receptor-gamma.
J.Med.Chem., 54, 2011
4HHW
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Crystal structure of the Pseudomonas aeruginosa azurin, H124NO YOH122
分子名称: Azurin, COPPER (II) ION
著者Warren, J.J, Herrera, N, Gray, H.B.
登録日2012-10-10
公開日2012-11-21
最終更新日2013-08-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Electron Flow through Nitrotyrosinate in Pseudomonas aeruginosa Azurin.
J.Am.Chem.Soc., 135, 2013
4FEQ
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Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky)
分子名称: 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase receptor TYRO3
著者Ohren, J.F, Powell, N.A, Kohrt, J.T, Perrin, L.A.
登録日2012-05-30
公開日2013-03-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase.
Bioorg.Med.Chem.Lett., 23, 2013
4BP1
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Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Methylthioadenosine and Putrescine
分子名称: 1,4-DIAMINOBUTANE, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
著者Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L.
登録日2013-05-23
公開日2014-06-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design
Acta Crystallogr.,Sect.D, 71, 2015
3QUP
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Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky)
分子名称: (5-fluoro-1H-indol-2-yl)[(3R)-1'-[(3R)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2H)-yl]methanone, Tyrosine-protein kinase receptor TYRO3
著者Ohren, J.F.
登録日2011-02-24
公開日2011-12-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel and selective spiroindoline-based inhibitors of sky kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3QW3
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Structure of Leishmania donovani OMP decarboxylase
分子名称: Orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative (Ompdcase-oprtase, putative), ...
著者French, J.B, Ealick, S.E.
登録日2011-02-26
公開日2011-04-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Leishmania donovani UMP synthase is essential for promastigote viability and has an unusual tetrameric structure that exhibits substrate-controlled oligomerization.
J.Biol.Chem., 286, 2011
3IA6
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X-ray Crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a PPAR gamma/alpha dual agonist
分子名称: (2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Ohren, J.F.
登録日2009-07-13
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Synthesis and evaluation of novel alpha-heteroaryl-phenylpropanoic acid derivatives as PPARalpha/gamma dual agonists.
Bioorg.Med.Chem., 17, 2009
4GH8
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Crystal structure of a 'humanized' E. coli dihydrofolate reductase
分子名称: CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ...
著者French, J.B, Liu, C.T, Hanoian, P, Pringle, T.H, Hammes-Schiffer, S, Benkovic, S.J.
登録日2012-08-07
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans.
Proc.Natl.Acad.Sci.USA, 110, 2013
4BP3
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Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with DECARBOXYLATED S-ADENOSYLMETHIONINE5' AND 4- METHYLANILINE
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-METHYLANILINE, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, ...
著者Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L.
登録日2013-05-23
公開日2014-06-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design
Acta Crystallogr.,Sect.D, 71, 2015
3U25
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Crystal structure of P. aeruginoas azurin containing a Tyr-His hydrogen bonded pair
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
著者Warren, J.J, Winkler, J.R, Gray, H.B.
登録日2011-09-30
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Redox properties of tyrosine and related molecules.
Febs Lett., 586, 2012
4CWA
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Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 1H-Benzimidazole-2-pentanamine
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5-(1H-benzimidazol-2-yl)pentan-1-amine, SPERMIDINE SYNTHASE
著者Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L.
登録日2014-04-01
公開日2014-10-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design.
Acta Crystallogr.,Sect.D, 71, 2015
4CXM
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Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with METHYLTHIOADENOSIN AND SPERMIDINE after catalysis in crystal
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMIDINE, SPERMIDINE SYNTHASE
著者Sprenger, J, Svensson, B, Al-Karadaghi, S, Persson, L.
登録日2014-04-07
公開日2014-10-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design.
Acta Crystallogr.,Sect.D, 71, 2015
5PAD
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BU of 5pad by Molmil
BINDING OF CHLOROMETHYL KETONE SUBSTRATE ANALOGUES TO CRYSTALLINE PAPAIN
分子名称: PAPAIN, PHQ-GLY-PHE-GLY-CHLOROMETHYLKETONE INHIBITOR
著者Drenth, J, Kalk, K.H, Swen, H.M.
登録日1976-11-01
公開日1977-04-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding of chloromethyl ketone substrate analogues to crystalline papain.
Biochemistry, 15, 1976
3QW4
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Structure of Leishmania donovani UMP synthase
分子名称: CHLORIDE ION, UMP synthase, URIDINE-5'-MONOPHOSPHATE
著者French, J.B, Ealick, S.E.
登録日2011-02-26
公開日2011-04-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Leishmania donovani UMP synthase is essential for promastigote viability and has an unusual tetrameric structure that exhibits substrate-controlled oligomerization.
J.Biol.Chem., 286, 2011
3O7I
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Crystal structure of 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase from Klebsiella pneumoniae
分子名称: OHCU decarboxylase
著者French, J.B, Ealick, S.E.
登録日2010-07-30
公開日2010-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Mechanistic Studies on Klebsiella pneumoniae 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline Decarboxylase.
J.Biol.Chem., 285, 2010
3O7H
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Crystal structure of 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase from Klebsiella pneumoniae
分子名称: OHCU decarboxylase
著者French, J.B, Ealick, S.E.
登録日2010-07-30
公開日2010-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural and Mechanistic Studies on Klebsiella pneumoniae 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline Decarboxylase.
J.Biol.Chem., 285, 2010
4L28
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Crystal structure of delta516-525 human cystathionine beta-synthase D444N mutant containing C-terminal 6xHis tag
分子名称: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE
著者Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez, L.A.
登録日2013-06-04
公開日2013-09-18
最終更新日2013-10-16
実験手法X-RAY DIFFRACTION (2.626 Å)
主引用文献Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013
4L0D
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Crystal structure of delta516-525 human cystathionine beta-synthase containing C-terminal 6xHis-tag
分子名称: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE
著者Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez-Cruz, L.A.
登録日2013-05-31
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013

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