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6P6C
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BU of 6p6c by Molmil
CS-Rosetta Model of PEA-15 Death Effector Domain in the Complex with ERK2
Descriptor: Astrocytic phosphoprotein PEA-15
Authors:Wei, Y, Crespo Flores, S, Cabezas, A, Hassan, S.
Deposit date:2019-06-03
Release date:2019-07-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:PEA-15 C-Terminal Tail Allosterically Modulates Death-Effector Domain Conformation and Facilitates Protein-Protein Interactions.
Int J Mol Sci, 20, 2019
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
7LQT
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BU of 7lqt by Molmil
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
4XO2
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BU of 4xo2 by Molmil
crystal structure of GnsA from E.coli
Descriptor: Protein GnsA
Authors:Zhan, L.H, Gao, Z.Q, Wei, Y, Dong, Y.H.
Deposit date:2015-01-16
Release date:2015-06-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Crystal structure of GnsA from Escherichia coli
Biochem.Biophys.Res.Commun., 462, 2015
1S16
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BU of 1s16 by Molmil
Crystal Structure of E. coli Topoisomerase IV ParE 43kDa subunit complexed with ADPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Wei, Y, Gross, C.H.
Deposit date:2004-01-05
Release date:2004-05-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of Escherichia coli topoisomerase IV ParE subunit (24 and 43 kilodaltons): a single residue dictates differences in novobiocin potency against topoisomerase IV and DNA gyrase.
Antimicrob.Agents Chemother., 48, 2004
1S14
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BU of 1s14 by Molmil
Crystal structure of Escherichia coli Topoisomerase IV ParE 24kDa subunit
Descriptor: NOVOBIOCIN, Topoisomerase IV subunit B
Authors:Wei, Y, Gross, C.H.
Deposit date:2004-01-05
Release date:2004-05-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of Escherichia coli topoisomerase IV ParE subunit (24 and 43 kilodaltons): a single residue dictates differences in novobiocin potency against topoisomerase IV and DNA gyrase.
Antimicrob.Agents Chemother., 48, 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
4EFB
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BU of 4efb by Molmil
Crystal structure of DNA ligase
Descriptor: 4-amino-2-(cyclopentyloxy)-6-{[(1R,2S)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ...
Authors:Wei, Y, Wang, T, Charifson, P, Xu, W.
Deposit date:2012-03-29
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of DNA ligase
To be Published
4F1R
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BU of 4f1r by Molmil
Structure analysis of the global metabolic regulator Crc from Pseudomonas aeruginos
Descriptor: Catabolite repression control protein
Authors:Zhang, H, Wei, Y, Gao, Z.Q, Dong, Y.H.
Deposit date:2012-05-07
Release date:2013-02-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structure analysis of the global metabolic regulator Crc from Pseudomonas aeruginosa.
Iubmb Life, 65, 2013
4EFE
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BU of 4efe by Molmil
crystal structure of DNA ligase
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, SULFATE ION, ...
Authors:Wei, Y, Wang, T, Charifson, P, Xu, W.
Deposit date:2012-03-29
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:crystal structure of DNA ligase
To be Published
3TKA
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BU of 3tka by Molmil
crystal structure and solution saxs of methyltransferase rsmh from E.coli
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, Ribosomal RNA small subunit methyltransferase H, S-ADENOSYLMETHIONINE, ...
Authors:Gao, Z.Q, Wei, Y, Zhang, H, Dong, Y.H.
Deposit date:2011-08-25
Release date:2012-05-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal and solution structures of methyltransferase RsmH provide basis for methylation of C1402 in 16S rRNA.
J.Struct.Biol., 179, 2012
3B92
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BU of 3b92 by Molmil
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:2024-10-16
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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BU of 3g75 by Molmil
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
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
3G7B
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BU of 3g7b by Molmil
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
7E7Y
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BU of 7e7y by Molmil
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:2024-10-09
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
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:2024-10-16
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
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
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
2P59
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BU of 2p59 by Molmil
Crystal Structure of Hepatitis C Virus NS3.4A protease
Descriptor: (2S,3AS,7AS)-1-[(2S)-2-{[(2S)-2-CYCLOHEXYL-2-({[(2R)-4-NITRO-2H-PYRROL-2-YL]CARBONYL}AMINO)ACETYL]AMINO}-3,3-DIMETHYLBUTANOYL]-N-{(1S)-1-[(1R)-2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXOETHYL]BUTYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, NS3, peptide
Authors:Perni, R.B, Wei, Y.
Deposit date:2007-03-14
Release date:2008-02-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics.
Bioorg.Med.Chem.Lett., 17, 2007
1TIB
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BU of 1tib by Molmil
CONFORMATIONAL LABILITY OF LIPASES OBSERVED IN THE ABSENCE OF AN OIL-WATER INTERFACE: CRYSTALLOGRAPHIC STUDIES OF ENZYMES FROM THE FUNGI HUMICOLA LANUGINOSA AND RHIZOPUS DELEMAR
Descriptor: LIPASE
Authors:Derewenda, U, Swenson, L, Wei, Y, Derewenda, Z.S.
Deposit date:1993-12-06
Release date:1995-01-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Conformational lability of lipases observed in the absence of an oil-water interface: crystallographic studies of enzymes from the fungi Humicola lanuginosa and Rhizopus delemar.
J.Lipid Res., 35, 1994
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
4LX3
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BU of 4lx3 by Molmil
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
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
1GG6
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BU of 1gg6 by Molmil
CRYSTAL STRUCTURE OF GAMMA CHYMOTRYPSIN WITH N-ACETYL-PHENYLALANINE TRIFLUOROMETHYL KETONE BOUND AT THE ACTIVE SITE
Descriptor: 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE), 1,2-ETHANEDIOL, GAMMA CHYMOTRYPSIN, ...
Authors:Neidhart, D, Wei, Y, Cassidy, C, Lin, J, Cleland, W.W, Frey, P.A.
Deposit date:2000-07-31
Release date:2000-09-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Correlation of low-barrier hydrogen bonding and oxyanion binding in transition state analogue complexes of chymotrypsin.
Biochemistry, 40, 2001

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