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PDB: 133 results

6M2B
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BU of 6m2b by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416
Descriptor: 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Zhu, L, Li, H.
Deposit date:2020-02-27
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2.
Protein Cell, 11, 2020
6U4N
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BU of 6u4n by Molmil
Solution structure of paxillin LIM4 in complex with kindlin-2 F0
Descriptor: Fermitin family homolog 2, Paxillin, ZINC ION
Authors:Zhu, L, Qin, J.
Deposit date:2019-08-26
Release date:2019-10-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Basis of Paxillin Recruitment by Kindlin-2 in Regulating Cell Adhesion.
Structure, 27, 2019
6U4M
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BU of 6u4m by Molmil
Solution structure of paxillin LIM4
Descriptor: Paxillin, ZINC ION
Authors:Zhu, L, Qin, J.
Deposit date:2019-08-26
Release date:2019-10-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis of Paxillin Recruitment by Kindlin-2 in Regulating Cell Adhesion.
Structure, 27, 2019
104D
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BU of 104d by Molmil
DNA DUPLEXES FLANKED BY HYBRID DUPLEXES: THE SOLUTION STRUCTURE OF CHIMERIC JUNCTIONS IN
Descriptor: DNA/RNA (5'-R(*CP*GP*CP*G)-D(P*TP*AP*TP*AP*CP*GP*CP*G)-3')
Authors:Zhu, L, Salazar, M, Reid, B.R.
Deposit date:1994-12-16
Release date:1995-03-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:DNA duplexes flanked by hybrid duplexes: the solution structure of chimeric junctions in [r(cgcg)d(TATACGCG)]2.
Biochemistry, 34, 1995
1DDP
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BU of 1ddp by Molmil
Solution structure of a CISPLATIN-INDUCED [CATAGCTATG]2 Interstrand cross-link
Descriptor: Cisplatin, DNA (5'-D(*CP*AP*TP*AP*GP*CP*TP*AP*TP*G)-3')
Authors:Zhu, L, Huang, H, Reid, B.R, Drobny, G.P, Hopkins, P.B.
Deposit date:1995-10-26
Release date:1996-03-08
Last modified:2024-03-13
Method:SOLUTION NMR
Cite:Solution structure of a cisplatin-induced DNA interstrand cross-link.
Science, 270, 1995
7KXT
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Crystal structure of human EED
Descriptor: 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine, Polycomb protein EED, UNKNOWN ATOM OR ION
Authors:Zhu, L, Dong, A, Du, D, Liu, Y, Luo, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2020-12-04
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Development of Small-Molecule PRC2 Inhibitors Targeting EZH2-EED Interaction.
J.Med.Chem., 64, 2021
5GKA
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BU of 5gka by Molmil
cryo-EM structure of human Aichi virus
Descriptor: Genome polyprotein, capsid protein VP0, capsid protein VP1
Authors:Zhu, L, Wang, X.X, Ren, J.S, Tuthill, T.J, Fry, E.E, Rao, Z.H, Stuart, D.I.
Deposit date:2016-07-04
Release date:2016-09-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of human Aichi virus and implications for receptor binding
Nat Microbiol, 1, 2016
6M6F
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BU of 6m6f by Molmil
Solution structure of disulfide bond mutaion of the core domain of Fibroblast growth factor 21 (FGF21)
Descriptor: Fibroblast growth factor 21
Authors:Zhu, L, Zhao, H, Wang, J.
Deposit date:2020-03-14
Release date:2021-01-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Dynamic folding modulation generates FGF21 variant against diabetes.
Embo Rep., 22, 2021
6M6E
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BU of 6m6e by Molmil
Solution structure of the core domain of Fibroblast growth factor 21 (FGF21)
Descriptor: Fibroblast growth factor 21
Authors:Zhu, L, Zhao, H, Wang, J.
Deposit date:2020-03-14
Release date:2021-01-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Dynamic folding modulation generates FGF21 variant against diabetes.
Embo Rep., 22, 2021
6BA6
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BU of 6ba6 by Molmil
Solution structure of Rap1b/talin complex
Descriptor: Ras-related protein Rap-1b, Talin-1
Authors:Zhu, L, Yang, J, Qin, J.
Deposit date:2017-10-12
Release date:2017-12-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of Rap1b bound to talin reveals a pathway for triggering integrin activation.
Nat Commun, 8, 2017
3SN8
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BU of 3sn8 by Molmil
Crystal structure of SARS coronavirus main protease complexed with Cm-FF-H (soaking)
Descriptor: 3C-like proteinase, N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-06-29
Release date:2011-09-07
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3SNC
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BU of 3snc by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-NSTSQ-H (soaking)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, Peptide aldehyde inhibitor Ac-NSTSQ-H
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-06-29
Release date:2011-09-07
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3SNB
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BU of 3snb by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-DSFDQ-H (soaking)
Descriptor: 3C-like proteinase, Peptide aldehyde inhibitor Ac-DSFDQ-H
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-06-29
Release date:2011-09-07
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3SNA
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BU of 3sna by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-NSFSQ-H (soaking)
Descriptor: 3C-like proteinase, Peptide aldehyde inhibitor Ac-NSFSQ-H
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-06-29
Release date:2011-09-07
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3SZN
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BU of 3szn by Molmil
Crystal structure of SARS coronavirus main protease complexed with an alpha, beta-unsaturated ethyl ester SG75
Descriptor: 3C-like proteinase, ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-07-19
Release date:2012-07-25
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structures of SARS-Cov main protease complexed with a series of unsaturated esters
To be Published
3SND
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BU of 3snd by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-ESTLQ-H (cocrystallization)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 3C-like proteinase, Peptide aldehyde inhibitor Ac-ESTLQ-H
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-06-29
Release date:2011-09-07
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3SNE
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BU of 3sne by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-ESTLQ-H (Soaking)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase, Peptide aldehyde inhibitor Ac-ESTLQ-H
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-06-29
Release date:2011-09-07
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3TIU
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BU of 3tiu by Molmil
Crystal structure of SARS coronavirus main protease complexed with an alpha,beta-unsaturated ethyl ester inhibitor SG82
Descriptor: DIMETHYL SULFOXIDE, ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE, SARS coronavirus main protease
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-08-22
Release date:2012-08-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structures of SARS-Cov main protease complexed with a series of peptidic unsaturated esters
To be Published
3TIT
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BU of 3tit by Molmil
Crystal structure of SARS coronavirus main protease complexed with an alpha, beta-unsaturated ethyl ester SG81
Descriptor: ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL]AMINO}-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE, SARS coronavirus main protease
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-08-21
Release date:2012-08-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structures of SARS-Cov main protease complexed with a series of unsaturated esters
To be Published
3TNT
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BU of 3tnt by Molmil
Crystal structure of SARS coronavirus main protease complexed with an alpha, beta-unsaturated ethyl ester inhibitor SG85
Descriptor: N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide, SARS coronavirus main protease
Authors:Zhu, L, Hilgenfeld, R.
Deposit date:2011-09-02
Release date:2012-09-05
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structures of SARS-Cov main protease complexed with a series of peptidic unsaturated esters
To be Published
5ZID
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BU of 5zid by Molmil
Crystal Structure of human DPP-IV in complex with HL2
Descriptor: (2S,3R)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-naphtho[2,1-b]pyran-8-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Zhu, L, Li, H, Wu, F.
Deposit date:2018-03-14
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of human DPP-IV in complex with HL2
To Be Published
6KU8
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BU of 6ku8 by Molmil
structure of HRV-C 3C protein with rupintrivir
Descriptor: 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, Genome polyprotein
Authors:Zhu, L, Yuan, S.
Deposit date:2019-08-31
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the HRV-C 3C-Rupintrivir Complex Provides New Insights for Inhibitor Design.
Virol Sin, 35, 2020
7WYF
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BU of 7wyf by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with its inhibitor 50
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Zhu, L, Li, H.
Deposit date:2022-02-16
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with its inhibitor 50
To Be Published
5J3J
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BU of 5j3j by Molmil
Crystal Structure of human DPP-IV in complex with HL1
Descriptor: (2~{S},3~{R})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{H}-benzo[f]chromen-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Wu, F, Li, H, Zhao, Z, Zhu, L, Xu, H, Li, S.
Deposit date:2016-03-31
Release date:2017-04-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structure of human DPP-IV in complex with HL1
To Be Published
6DXK
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Glucocorticoid Receptor in complex with Compound 11
Descriptor: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name), Glucocorticoid receptor
Authors:Rew, Y, Du, X, Eksterowicz, J, Zhou, H, Jahchan, N, Zhu, L, Yan, X, Kawai, H, McGee, L.R, Medina, J.C, Huang, T, Chen, C, Zavorotinskaya, T, Sutimantanapi, D, Waszczuk, J, Jackson, E, Huang, E, Ye, Q, Fantin, V.R, Daqing, S.
Deposit date:2018-06-29
Release date:2018-10-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101).
J. Med. Chem., 61, 2018

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數據於2024-06-12公開中

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