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PDB: 854 件

1W7N
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Crystal structure of human kynurenine aminotransferase I in PMP form
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, KYNURENINE--OXOGLUTARATE TRANSAMINASE I
著者Rossi, F, Han, Q, Li, J, Li, J, Rizzi, M.
登録日2004-09-06
公開日2004-09-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of Human Kynurenine Aminotransferase I
J.Biol.Chem., 279, 2004
1W7M
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Crystal structure of human kynurenine aminotransferase I in complex with L-Phe
分子名称: KYNURENINE--OXOGLUTARATE TRANSAMINASE I, PHENYLALANINE, PYRIDOXAL-5'-PHOSPHATE
著者Rossi, F, Han, Q, Li, J, Li, J, Rizzi, M.
登録日2004-09-06
公開日2004-09-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of Human Kynurenine Aminotransferase I
J.Biol.Chem., 279, 2004
6BWI
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3.7 angstrom cryoEM structure of full length human TRPM4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
著者Zhang, J, Li, Z, Duan, J, Li, J, Clapham, D.E.
登録日2017-12-15
公開日2018-12-19
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of full-length human TRPM4.
Proc.Natl.Acad.Sci.USA, 115, 2018
5C1Y
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Crystal structure of EV71 3C Proteinase in complex with Compound 1
分子名称: 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
著者Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
登録日2015-06-15
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
1W7L
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Crystal structure of human kynurenine aminotransferase I
分子名称: KYNURENINE--OXOGLUTARATE TRANSAMINASE I, PYRIDOXAL-5'-PHOSPHATE
著者Rossi, F, Han, Q, Li, J, Li, J, Rizzi, M.
登録日2004-09-06
公開日2004-09-08
最終更新日2015-12-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Human Kynurenine Aminotransferase I
J.Biol.Chem., 279, 2004
6MS7
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Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selective PPAR-gamma modulator VSP-77
分子名称: PGC1 LXXLL motif, Peroxisome proliferator-activated receptor gamma, {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid
著者Yi, W, Jiang, H, Zhou, X.E, Shi, J, Zhao, G, Zhang, X, Sun, Y, Suino-Powell, K, Li, J, Li, J, Melcher, K, Xu, H.E.
登録日2018-10-16
公開日2019-10-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Identification and structural insight of an effective PPAR gamma modulator with improved therapeutic index for anti-diabetic drug discovery.
Chem Sci, 11, 2020
5DP4
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Crystal Structure of EV71 3C Proteinase in complex with compound 3
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP9
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Crystal Structure of EV71 3C Proteinase in complex with compound 9
分子名称: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP8
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Crystal Structure of EV71 3C Proteinase in complex with compound 8
分子名称: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DPA
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Crystal Structure of EV71 3C Proteinase in complex with compound 6
分子名称: 3C proteinase, ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP6
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Crystal Structure of EV71 3C Proteinase in complex with compound 7
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
7C2A
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Crystal structure of AlinE4, a SGNH-hydrolase family esterase
分子名称: ACETATE ION, CADMIUM ION, SGNH-hydrolase family esterase
著者Li, Z, Li, J.
登録日2020-05-07
公開日2020-05-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献C-terminal swapped dimers revealed a new catalytic mechanism of SGNH-hydrolase family esterases
To Be Published
5DP3
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Crystal Structure of EV71 3C Proteinase in complex with compound 2
分子名称: 3C proteinase, ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP5
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Crystal Structure of EV71 3C Proteinase in complex with compound 4
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2016-04-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP7
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Crystal Structure of EV71 3C Proteinase in complex with compound 5
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
4HJX
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Crystal structure of F2YRS complexed with F2Y
分子名称: 3,5-difluoro-L-tyrosine, Tyrosine-tRNA ligase
著者Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W.
登録日2012-10-14
公開日2013-03-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献A genetically encoded 19F NMR probe for tyrosine phosphorylation.
Angew.Chem.Int.Ed.Engl., 52, 2013
4HJR
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Crystal structure of F2YRS
分子名称: Tyrosine-tRNA ligase
著者Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W.
登録日2012-10-13
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A genetically encoded 19F NMR probe for tyrosine phosphorylation.
Angew.Chem.Int.Ed.Engl., 52, 2013
3DEH
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Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
分子名称: Caspase-3, isoquinoline-1,3,4(2H)-trione
著者Wu, J, Du, J, Li, J, Ding, J.
登録日2008-06-10
公開日2008-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
7Y0A
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Crystal structure of human short-chain acyl-CoA dehydrogenase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, Short-chain specific acyl-CoA dehydrogenase, ...
著者Huang, Y, Xu, Y, Li, J.
登録日2022-06-04
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.317 Å)
主引用文献Crystal structure of human short-chain acyl-CoA dehydrogenase
To Be Published
7Y0B
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Crystal structure of human short-chain acyl-CoA dehydrogenase
分子名称: (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Short-chain specific acyl-CoA dehydrogenase, ...
著者Huang, Y, Xu, Y, Li, J.
登録日2022-06-04
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.076 Å)
主引用文献Crystal structure of human short-chain acyl-coA dehydrogenase
To Be Published
3DEI
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Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
分子名称: (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3
著者Wu, J, Du, J, Li, J, Ding, J.
登録日2008-06-10
公開日2008-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
2K2G
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Solution structure of the wild-type catalytic domain of human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor
分子名称: Macrophage metalloelastase, N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine, ZINC ION
著者Markus, M.A, Dwyer, B, Wolfrom, S, Li, J, Li, W, Malakian, K, Wilhelm, J, Tsao, D.H.H.
登録日2008-04-01
公開日2008-05-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of wild-type human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor.
J.Biomol.Nmr, 41, 2008
3DEJ
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Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
分子名称: (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3
著者Wu, J, Du, J, Li, J, Ding, J.
登録日2008-06-10
公開日2008-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
3DEK
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Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
分子名称: Caspase-3, N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
著者Wu, J, Du, J, Li, J, Ding, J.
登録日2008-06-10
公開日2008-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
8K4Y
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Structure of a triple-helix region of human ReCol 3 from Trautec
分子名称: SULFATE ION, triple-helix region of human ReCol 3
著者Chu, Y, Zhai, Y, Fan, X, Li, J, Wang, L, Fu, S, Feng, P, Qian, S.
登録日2023-07-20
公開日2023-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of a triple-helix region of human ReCol 3 from Trautec.
To Be Published

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