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PDB: 86 results

8HMB
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Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 in complex with benidipine (BEN)
Descriptor: (3R)-1-benzylpiperidin-3-yl methyl (2R,3R,4R,5R,6S)-2,6-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wei, Y, Yu, Z, Zhao, Y.
Deposit date:2022-12-02
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors.
Nat Commun, 15, 2024
7E7Y
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Crystal structure of the SARS-CoV-2 S RBD in complex with BD-623 Fab
Descriptor: BD-623 Fab H, BD-623 Fab L, Spike protein S1
Authors:Wei, Y, Xiao, J.
Deposit date:2021-02-28
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
8HLP
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Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 (apo)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wei, Y, Yu, Z, Zhao, Y.
Deposit date:2022-11-30
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors.
Nat Commun, 15, 2024
8HMA
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Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 in complex with tetrandrine (TET)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6,6',7,12-tetramethoxy-2,2'-dimethyl-1beta-3,4-didehydroberbaman, ...
Authors:Wei, Y, Yu, Z, Zhao, Y.
Deposit date:2022-12-02
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors.
Nat Commun, 15, 2024
3G7E
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BU of 3g7e by Molmil
Crystal structure of E. coli Gyrase B co-complexed with PROP-2-YN-1-YL {[5-(4-PIPERIDIN-1-YL-2-PYRIDIN-3-YL-1,3-THIAZOL-5-YL)-1H-PYRAZOL-3-YL]METHYL}CARBAMATE inhibitor
Descriptor: DNA gyrase subunit B, prop-2-yn-1-yl {[5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methyl}carbamate
Authors:Wei, Y, Charifson, P.
Deposit date:2009-02-09
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.
Bioorg.Med.Chem.Lett., 20, 2010
2PP4
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BU of 2pp4 by Molmil
Solution Structure of ETO-TAFH refined in explicit solvent
Descriptor: Protein ETO
Authors:Wei, Y, Liu, S, Lausen, J, Woodrell, C, Cho, S, Biris, N, Kobayashi, N, Yokoyama, S, Werner, M.H.
Deposit date:2007-04-27
Release date:2007-06-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A TAF4-homology domain from the corepressor ETO is a docking platform for positive and negative regulators of transcription
Nat.Struct.Mol.Biol., 14, 2007
3B92
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Novel thio-based TACE inhibitors Part 2: Rational design, synthesis and SAR of thiol-contaning aryl sufones
Descriptor: 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol, ADAM 17, ZINC ION
Authors:Wei, Y.
Deposit date:2007-11-02
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel thiol-based TACE inhibitors. Part 2: Rational design, synthesis, and SAR of thiol-containing aryl sulfones.
Bioorg.Med.Chem.Lett., 18, 2008
3G75
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Crystal structure of Staphylococcus aureus Gyrase B co-complexed with 4-METHYL-5-[3-(METHYLSULFANYL)-1H-PYRAZOL-5-YL]-2-THIOPHEN-2-YL-1,3-THIAZOLE inhibitor
Descriptor: 4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole, DNA gyrase subunit B
Authors:Wei, Y, Charifson, P.
Deposit date:2009-02-09
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.
Bioorg.Med.Chem.Lett., 20, 2010
3G7B
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Staphylococcus aureus Gyrase B co-complex with METHYL ({5-[4-(4-HYDROXYPIPERIDIN-1-YL)-2-PHENYL-1,3-THIAZOL-5-YL]-1H-PYRAZOL-3-YL}METHYL)CARBAMATE inhibitor
Descriptor: DNA gyrase subunit B, methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl}methyl)carbamate
Authors:Wei, Y, Charisfon, P.
Deposit date:2009-02-09
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.
Bioorg.Med.Chem.Lett., 20, 2010
3FV5
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BU of 3fv5 by Molmil
Crystal Structure of E. coli Topoisomerase IV co-complexed with inhibitor
Descriptor: 1-(4-acetyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea, DNA topoisomerase 4 subunit B
Authors:Wei, Y, Charifson, P, LeTiran, A.
Deposit date:2009-01-15
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and syntheses of novel C7-derived-aminobenzimidazole ureas: bacterial gyrase/topoisomerase IV inhibitors with potent Gram-positve antibacterial activity
To be Published
2OIN
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BU of 2oin by Molmil
crystal structure of HCV NS3-4A R155K mutant
Descriptor: NS4A peptide, Polyprotein, ZINC ION
Authors:Wei, Y.
Deposit date:2007-01-11
Release date:2007-06-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Phenotypic and structural analyses of hepatitis C virus NS3 protease Arg155 variants: sensitivity to telaprevir (VX-950) and interferon alpha.
J.Biol.Chem., 282, 2007
2QV1
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BU of 2qv1 by Molmil
Crystal structure of HCV NS3-4A V36M mutant
Descriptor: NS3, ZINC ION, peptide
Authors:Wei, Y.
Deposit date:2007-08-07
Release date:2008-08-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Phenotypic and Structural Analyses of HCV NS3 Protease Val36 Variants
To be Published
2OI0
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BU of 2oi0 by Molmil
Crystal structure analysis 0f the TNF-a Coverting Enzyme (TACE) in complexed with Aryl-sulfonamide
Descriptor: (3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-3-THIOL, TNF- a Converting Enzyme (TACE), ZINC ION
Authors:Wei, Y, Rao, G.B, Bandarage, U.K.
Deposit date:2007-01-10
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel thiol-based TACE inhibitors: rational design, synthesis, and SAR of thiol-containing aryl sulfonamides
Bioorg.Med.Chem.Lett., 17, 2007
5MV2
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BU of 5mv2 by Molmil
Crystal structure of the E protein of the Japanese encephalitis live attenuated vaccine virus
Descriptor: E protein
Authors:Liu, X, Zhao, X, Na, R, Li, L, Warkentin, E, Witt, J, Lu, X, Wei, Y, Peng, G, Li, Y, Wang, J.
Deposit date:2017-01-14
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure differences of Japanese encephalitis virus SA14 and SA14-14-2 E proteins elucidate the virulence attenuation mechanism.
Protein Cell, 10, 2019
4LX3
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Conserved Residues that Modulate Protein trans-Splicing of Npu DnaE Split Intein
Descriptor: DNA polymerase III, alpha subunit, Nucleic acid binding, ...
Authors:Wu, Q, Gao, Z, Wei, Y, Ma, G, Zheng, Y, Dong, Y, Liu, Y.
Deposit date:2013-07-29
Release date:2014-06-25
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conserved residues that modulate protein trans-splicing of Npu DnaE split intein.
Biochem.J., 461, 2014
1TIA
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BU of 1tia by Molmil
AN UNUSUAL BURIED POLAR CLUSTER IN A FAMILY OF FUNGAL LIPASES
Descriptor: LIPASE
Authors:Derewenda, U, Swenson, L, Yamaguchi, S, Wei, Y, Derewenda, Z.S.
Deposit date:1993-12-06
Release date:1995-01-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An unusual buried polar cluster in a family of fungal lipases.
Nat.Struct.Biol., 1, 1994
1TTY
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BU of 1tty by Molmil
Solution structure of sigma A region 4 from Thermotoga maritima
Descriptor: RNA polymerase sigma factor rpoD
Authors:Lambert, L.J, Wei, Y, Schirf, V, Demeler, B, Werner, M.H.
Deposit date:2004-06-23
Release date:2004-11-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:T4 AsiA blocks DNA recognition by remodeling sigma(70) region 4
Embo J., 23, 2004
6BY9
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BU of 6by9 by Molmil
Crystal structure of EHMT1
Descriptor: Histone-lysine N-methyltransferase EHMT1, UNKNOWN ATOM OR ION
Authors:Dong, A, Wei, Y, Li, A, Tempel, W, Han, S, Sunnerhagen, M, Penn, L, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2017-12-20
Release date:2018-01-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of EHMT1
to be published
1JXZ
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BU of 1jxz by Molmil
Structure of the H90Q mutant of 4-Chlorobenzoyl-Coenzyme A Dehalogenase complexed with 4-hydroxybenzoyl-Coenzyme A (product)
Descriptor: 4-HYDROXYBENZOYL COENZYME A, 4-chlorobenzoyl Coenzyme A dehalogenase, CALCIUM ION, ...
Authors:Thoden, J.B, Zhang, W, Wei, Y, Luo, L, Taylor, K.L, Yang, G, Dunaway-Mariano, D, Benning, M.M, Holden, H.M.
Deposit date:2001-09-10
Release date:2001-10-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Histidine 90 Function in 4-chlorobenzoyl-coenzyme A Dehalogenase Catalysis
Biochemistry, 40, 2001
1WAB
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BU of 1wab by Molmil
PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE
Descriptor: ACETATE ION, PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE
Authors:Ho, Y.S, Swenson, L, Derewenda, U, Serre, L, Wei, Y, Dauter, Z, Hattori, M, Aoki, J, Arai, H, Adachi, T, Inoue, K, Derewenda, Z.S.
Deposit date:1996-10-30
Release date:1997-11-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Brain acetylhydrolase that inactivates platelet-activating factor is a G-protein-like trimer.
Nature, 385, 1997
7LQT
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Solution NMR structure of the PNUTS amino-terminal Domain fused to Myc Homology Box 0
Descriptor: Serine/threonine-protein phosphatase 1 regulatory subunit 10,Myc proto-oncogene protein fusion
Authors:Lemak, A, Wei, Y, Duan, S, Houliston, S, Penn, L.Z, Arrowsmith, C.H.
Deposit date:2021-02-15
Release date:2021-03-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The MYC oncoprotein directly interacts with its chromatin cofactor PNUTS to recruit PP1 phosphatase.
Nucleic Acids Res., 50, 2022
1GGD
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BU of 1ggd by Molmil
CRYSTAL STRUCTURE OF GAMMA CHYMOTRYPSIN WITH N-ACETYL-LEUCIL-PHENYLALANINE ALDEHYDE BOUND AT THE ACTIVE SITE
Descriptor: 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE, GAMMA CHYMOTRYPSIN, SULFATE ION
Authors:Neidhart, D, Wei, Y, Cassidy, C, Lin, J, Cleland, W.W, Frey, P.A.
Deposit date:2000-08-14
Release date:2000-09-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Correlation of low-barrier hydrogen bonding and oxyanion binding in transition state analogue complexes of chymotrypsin.
Biochemistry, 40, 2000
5GTW
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The N253R mutant structures of trehalose synthase from Deinococcus radiodurans display two different active-site conformations
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, MAGNESIUM ION, ...
Authors:Chow, S.Y, Wei, Y.J, Liaw, S.H.
Deposit date:2016-08-23
Release date:2017-08-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:The N253R mutant structures of trehalose synthase from Deinococcus radiodurans display two different active-site conformations
To Be Published
6VTI
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BU of 6vti by Molmil
Solution NMR structure of the N-terminal domain of the Serine/threonine-protein phosphatase 1 regulatory subunit 10, PPP1R10
Descriptor: Serine/threonine-protein phosphatase 1 regulatory subunit 10
Authors:Lemak, A, Wei, Y, Duan, S, Houliston, S, Penn, L.Z, Arrowsmith, C.H.
Deposit date:2020-02-12
Release date:2020-02-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The MYC oncoprotein directly interacts with its chromatin cofactor PNUTS to recruit PP1 phosphatase.
Nucleic Acids Res., 50, 2022
5X8I
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Crystal structure of human CLK1 in complex with compound 25
Descriptor: 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole, Dual specificity protein kinase CLK1
Authors:Sun, Q.Z, Lin, G.F, Li, L.L, Jin, X.T, Huang, L.Y, Zhang, G, Wei, Y.Q, Lu, G.W, Yang, S.Y.
Deposit date:2017-03-02
Release date:2017-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Discovery of Potent and Selective Inhibitors of Cdc2-Like Kinase 1 (CLK1) as a New Class of Autophagy Inducers
J. Med. Chem., 60, 2017

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数据于2024-06-26公开中

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