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5DP4
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BU of 5dp4 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 3
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP9
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BU of 5dp9 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 9
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
7F42
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BU of 7f42 by Molmil
PARP15 catalytic domain in complex with Iniparib
Descriptor: 4-iodo-3-nitrobenzamide, Protein mono-ADP-ribosyltransferase PARP15
Authors:Zhou, X.L, Zhou, H, Li, J, Zhang, J.
Deposit date:2021-06-17
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:PARP15 catalytic domain in complex with Iniparib
To Be Published
5DP6
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BU of 5dp6 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 7
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
4Y07
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BU of 4y07 by Molmil
Crystal structure of the HECT domain of human WWP2
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2
Authors:Gong, W, Li, J, Li, Z, Xu, Y.
Deposit date:2015-02-05
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.507 Å)
Cite:Structure of the HECT domain of human WWP2
Acta Crystallogr.,Sect.F, 71, 2015
6BWI
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BU of 6bwi by Molmil
3.7 angstrom cryoEM structure of full length human TRPM4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
Authors:Zhang, J, Li, Z, Duan, J, Li, J, Clapham, D.E.
Deposit date:2017-12-15
Release date:2018-12-19
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of full-length human TRPM4.
Proc.Natl.Acad.Sci.USA, 115, 2018
2K2G
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BU of 2k2g by Molmil
Solution structure of the wild-type catalytic domain of human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor
Descriptor: Macrophage metalloelastase, N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine, ZINC ION
Authors:Markus, M.A, Dwyer, B, Wolfrom, S, Li, J, Li, W, Malakian, K, Wilhelm, J, Tsao, D.H.H.
Deposit date:2008-04-01
Release date:2008-05-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of wild-type human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor.
J.Biomol.Nmr, 41, 2008
5DP8
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BU of 5dp8 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 8
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DPA
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BU of 5dpa by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 6
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP5
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BU of 5dp5 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 4
Descriptor: 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
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP7
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BU of 5dp7 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 5
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP3
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BU of 5dp3 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 2
Descriptor: 3C proteinase, ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
4HJR
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BU of 4hjr by Molmil
Crystal structure of F2YRS
Descriptor: Tyrosine-tRNA ligase
Authors:Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W.
Deposit date:2012-10-13
Release date:2013-03-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A genetically encoded 19F NMR probe for tyrosine phosphorylation.
Angew.Chem.Int.Ed.Engl., 52, 2013
6LR6
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BU of 6lr6 by Molmil
The crystal structure of human cytoplasmic LRS
Descriptor: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, 5'-O-(L-leucylsulfamoyl)adenosine, Leucine--tRNA ligase, ...
Authors:Liu, R.J, Long, T, Li, H, Li, J, Zhao, J.H, Lin, J.Z, Palencia, A, Wang, M.Z, Cusack, S, Wang, E.D.
Deposit date:2020-01-15
Release date:2020-03-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.009 Å)
Cite:Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond.
Nucleic Acids Res., 48, 2020
4HJX
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BU of 4hjx by Molmil
Crystal structure of F2YRS complexed with F2Y
Descriptor: 3,5-difluoro-L-tyrosine, Tyrosine-tRNA ligase
Authors:Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W.
Deposit date:2012-10-14
Release date:2013-03-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:A genetically encoded 19F NMR probe for tyrosine phosphorylation.
Angew.Chem.Int.Ed.Engl., 52, 2013
6MS7
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BU of 6ms7 by Molmil
Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selective PPAR-gamma modulator VSP-77
Descriptor: PGC1 LXXLL motif, Peroxisome proliferator-activated receptor gamma, {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid
Authors: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.
Deposit date:2018-10-16
Release date:2019-10-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Identification and structural insight of an effective PPAR gamma modulator with improved therapeutic index for anti-diabetic drug discovery.
Chem Sci, 11, 2020
1X7Z
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BU of 1x7z by Molmil
Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase
Descriptor: 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ...
Authors:Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T.
Deposit date:2004-08-16
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation
Structure, 12, 2004
1X7Y
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BU of 1x7y by Molmil
Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase
Descriptor: 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ...
Authors:Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T.
Deposit date:2004-08-16
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation
Structure, 12, 2004
1X80
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BU of 1x80 by Molmil
Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase
Descriptor: 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ...
Authors:Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T.
Deposit date:2004-08-16
Release date:2004-11-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation
Structure, 12, 2004
1X7W
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BU of 1x7w by Molmil
Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase
Descriptor: 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ...
Authors:Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T.
Deposit date:2004-08-16
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation
Structure, 12, 2004
7P8W
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BU of 7p8w by Molmil
Human erythrocyte catalase cryoEM
Descriptor: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Chen, S, Li, J, Vinothkumar, K.R, Henderson, R.
Deposit date:2021-07-23
Release date:2021-08-25
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Interaction of human erythrocyte catalase with air-water interface in cryoEM.
Microscopy (Oxf), 71, 2022
5TPV
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BU of 5tpv by Molmil
X-ray structure of WlaRA (TDP-fucose-3,4-ketoisomerase) from Campylobacter jejuni
Descriptor: PHOSPHATE ION, THYMIDINE-5'-DIPHOSPHATE, WlaRA, ...
Authors:Holden, H.M, Thoden, J.B, Li, Z.A, Riegert, A.S, Goneau, M.-F, Cunningham, A.M, Vinograd, E, Schoenhofen, I.C, Gilbert, M, Li, J.
Deposit date:2016-10-21
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Characterization of the dTDP-Fuc3N and dTDP-Qui3N biosynthetic pathways in Campylobacter jejuni 81116.
Glycobiology, 27, 2017
1X7X
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BU of 1x7x by Molmil
Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase
Descriptor: 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ...
Authors:Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T.
Deposit date:2004-08-16
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation
Structure, 12, 2004
5JI8
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BU of 5ji8 by Molmil
Crystal structure of the BRD9 bromodomain and hit 1
Descriptor: 2-amino-1,3-benzothiazole-6-carboxamide, Bromodomain-containing protein 9
Authors:Wang, N, Li, F, Bao, H, Li, J, Wu, J, Ruan, K.
Deposit date:2016-04-22
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:NMR Fragment Screening Hit Induces Plasticity of BRD7/9 Bromodomains
Chembiochem, 17, 2016
3CW1
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BU of 3cw1 by Molmil
Crystal Structure of Human Spliceosomal U1 snRNP
Descriptor: Small nuclear ribonucleoprotein E, Small nuclear ribonucleoprotein F, Small nuclear ribonucleoprotein G, ...
Authors:Pomeranz Krummel, D.A, Oubridge, C, Leung, A.K, Li, J, Nagai, K.
Deposit date:2008-04-21
Release date:2009-03-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (5.493 Å)
Cite:Crystal structure of human spliceosomal U1 snRNP at 5.5 A resolution.
Nature, 458, 2009

238582

数据于2025-07-09公开中

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