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4LVA
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BU of 4lva by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ...
著者Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
7BU1
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BU of 7bu1 by Molmil
Crystal structure of TrmO from Pseudomonas aeruginosa
分子名称: Putative tRNA (Adenine(37)-N6)-methyltransferase, S-ADENOSYLMETHIONINE
著者Fan, C.P, Wang, L, Hu, W.H, Yang, C.W.
登録日2020-04-03
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Crystal structure of TrmO from Pseudomonas aeruginosa
To Be Published
7BTZ
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BU of 7btz by Molmil
Crystal structure of TrmO
分子名称: Putative tRNA (Adenine(37)-N6)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Fan, C.P, Wang, L, Hu, W.H, Yang, C.W.
登録日2020-04-03
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of TrmO from Pseudomonas aeruginosa
To Be Published
2B8T
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BU of 2b8t by Molmil
Crystal structure of Thymidine Kinase from U.urealyticum in complex with thymidine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, THYMIDINE, Thymidine kinase, ...
著者Kosinska, U, Carnrot, C, Eriksson, S, Wang, L, Eklund, H.
登録日2005-10-10
公開日2005-12-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the substrate complex of thymidine kinase from Ureaplasma urealyticum and investigations of possible drug targets for the enzyme
FEBS Lett., 272, 2005
1ZOL
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BU of 1zol by Molmil
native beta-PGM
分子名称: MAGNESIUM ION, beta-phosphoglucomutase
著者Zhang, G, Tremblay, L.W, Dai, J, Wang, L, Dunaway-Mariano, D, Allen, K.N.
登録日2005-05-13
公開日2005-08-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Catalytic cycling in beta-phosphoglucomutase: a kinetic and structural analysis
Biochemistry, 44, 2005
5GJU
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BU of 5gju by Molmil
DEAD-box RNA helicase
分子名称: ADENOSINE MONOPHOSPHATE, ATP-dependent RNA helicase DeaD
著者Xu, L, Li, F, Wang, L, Shi, Y.
登録日2016-07-02
公開日2017-05-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
5GI4
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BU of 5gi4 by Molmil
DEAD-box RNA helicase
分子名称: ATP-dependent RNA helicase DeaD
著者Xu, L, Wang, L, Li, F, Wu, L, Shi, Y.
登録日2016-06-22
公開日2017-05-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
2YNI
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BU of 2yni by Molmil
HIV-1 Reverse Transcriptase in complex with inhibitor GSK952
分子名称: 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ...
著者Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A.
登録日2012-10-15
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
2YNF
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BU of 2ynf by Molmil
HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560
分子名称: 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ...
著者Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A.
登録日2012-10-14
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
2YNH
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BU of 2ynh by Molmil
HIV-1 Reverse Transcriptase in complex with inhibitor GSK500
分子名称: 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, P51 RT, ...
著者Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A.
登録日2012-10-14
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
2YNG
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BU of 2yng by Molmil
HIV-1 Reverse Transcriptase in complex with inhibitor GSK560
分子名称: 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, MAGNESIUM ION, P51 RT, ...
著者Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A.
登録日2012-10-14
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
1XBT
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BU of 1xbt by Molmil
Crystal Structure of Human Thymidine Kinase 1
分子名称: MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE, Thymidine kinase, ...
著者Welin, M, Kosinska, U, Mikkelsen, N.E, Carnrot, C, Zhu, C, Wang, L, Eriksson, S, Munch-Petersen, B, Eklund, H.
登録日2004-08-31
公開日2004-12-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of thymidine kinase 1 of human and mycoplasmic origin
Proc.Natl.Acad.Sci.Usa, 101, 2004
1XR1
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BU of 1xr1 by Molmil
Crystal structure of hPim-1 kinase in complex with AMP-PNP at 2.1 A Resolution
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Qian, K.C, Wang, L, Hickey, E.R, Studts, J, Barringer, K, Peng, C, Kronkaitis, A, Li, J, White, A, Mische, S, Farmer, B.
登録日2004-10-13
公開日2004-11-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis of Constitutive Activity and a Unique Nucleotide Binding Mode of Human Pim-1 Kinase.
J.Biol.Chem., 280, 2005
1XQZ
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BU of 1xqz by Molmil
Crystal Structure of hPim-1 kinase at 2.1 A resolution
分子名称: Proto-oncogene serine/threonine-protein kinase Pim-1
著者Qian, K.C, Wang, L, Hickey, E.R, Studts, J, Barringer, K, Peng, C, Kronkaitis, A, Li, J, White, A, Mische, S, Farmer, B.
登録日2004-10-13
公開日2004-11-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis of Constitutive Activity and a Unique Nucleotide Binding Mode of Human Pim-1 Kinase.
J.Biol.Chem., 280, 2005
1Y6B
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BU of 1y6b by Molmil
Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor
分子名称: N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE, Vascular endothelial growth factor receptor 2
著者Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A.
登録日2004-12-05
公開日2005-06-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
1YGH
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BU of 1ygh by Molmil
HAT DOMAIN OF GCN5 FROM SACCHAROMYCES CEREVISIAE
分子名称: GLYCEROL, PROTEIN (TRANSCRIPTIONAL ACTIVATOR GCN5)
著者Trievel, R.C, Rojas, J.R, Sterner, D.E, Venkataramani, R, Wang, L, Zhou, J, Allis, C.D, Berger, S.L, Marmorstein, R.
登録日1999-05-27
公開日1999-08-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure and mechanism of histone acetylation of the yeast GCN5 transcriptional coactivator.
Proc.Natl.Acad.Sci.USA, 96, 1999
1Y6A
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BU of 1y6a by Molmil
Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor
分子名称: N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE, Vascular endothelial growth factor receptor 2
著者Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A.
登録日2004-12-05
公開日2005-06-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
7LJC
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Allosteric modulator LY3154207 binding to SKF-81297-bound dopamine receptor 1 in complex with miniGs protein
分子名称: (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, ...
著者Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E.
登録日2021-01-28
公開日2021-03-03
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
7LJD
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BU of 7ljd by Molmil
Allosteric modulator LY3154207 binding to dopamine-bound dopamine receptor 1 in complex with miniGs protein
分子名称: 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E.
登録日2021-01-28
公開日2021-03-03
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
1YWN
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BU of 1ywn by Molmil
Vegfr2 in complex with a novel 4-amino-furo[2,3-d]pyrimidine
分子名称: N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA, Vascular endothelial growth factor receptor 2
著者Miyazaki, Y, Matsunaga, S, Tang, J, Maeda, Y, Nakano, M, Philippe, R.J, Shibahara, M, Liu, W, Sato, H, Wang, L, Nolte, R.T.
登録日2005-02-18
公開日2005-08-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
2QWQ
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BU of 2qwq by Molmil
Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the AMPPNP hydrolyzed form
分子名称: ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R.
登録日2007-08-10
公開日2007-12-18
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
2QWO
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BU of 2qwo by Molmil
Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the ADP*Pi form #1
分子名称: ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R.
登録日2007-08-10
公開日2007-12-18
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
2QWR
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BU of 2qwr by Molmil
Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the AMPPNP intact form
分子名称: ACETIC ACID, GLYCEROL, Heat shock cognate 71 kDa protein, ...
著者Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R.
登録日2007-08-10
公開日2007-12-18
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
2QWP
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Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the ADP*Pi form #2
分子名称: ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R.
登録日2007-08-10
公開日2007-12-18
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
4YFI
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TNNI3K complexed with inhibitor 1
分子名称: N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K
著者Shewchuk, L.M, Wang, L, Lawhorn, B.G.
登録日2015-02-25
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K).
J.Med.Chem., 58, 2015

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