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6KJQ
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BU of 6kjq by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
Descriptor: (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase
Authors:Xiao, F, Dong, S, Feng, Y, Li, W.
Deposit date:2019-07-23
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJT
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BU of 6kjt by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
Descriptor: Putative beta-lactamase, SUCCINIC ACID
Authors:Xiao, F, Dong, S, Feng, Y, Li, W.
Deposit date:2019-07-23
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJJ
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BU of 6kjj by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
Descriptor: 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid, Putative beta-lactamase
Authors:Xiao, F, Dong, S, Feng, Y, Li, W.
Deposit date:2019-07-22
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.492 Å)
Cite:Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJR
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BU of 6kjr by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
Descriptor: 4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid, Putative beta-lactamase
Authors:Xiao, F, Dong, S, Feng, Y, Li, W.
Deposit date:2019-07-23
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.361 Å)
Cite:Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJP
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BU of 6kjp by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
Descriptor: (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase, SULFATE ION
Authors:Xiao, F, Dong, S, Feng, Y, Li, W.
Deposit date:2019-07-23
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
5XHC
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BU of 5xhc by Molmil
Crystal structure of T2R-TTL-PO10 complex
Descriptor: (3Z,6Z)-3-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]-6-[[3-(4-fluorophenyl)carbonylphenyl]methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Chu, Y, Wang, Y, Yang, J, Li, W.
Deposit date:2017-04-20
Release date:2017-10-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Synthesis, biological evaluation and X-ray structure of anti-microtubule agents
To Be Published
5XI5
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BU of 5xi5 by Molmil
Crystal structure of T2R-TTL-PO5 complex
Descriptor: (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Chu, Y, Wang, Y, Yang, J, Li, W.
Deposit date:2017-04-26
Release date:2017-10-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Synthesis, biological evaluation and X-ray structure of anti-microtubule agents
To Be Published
6BFU
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BU of 6bfu by Molmil
Glycan shield and fusion activation of a deltacoronavirus spike glycoprotein fine-tuned for enteric infections
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein, ...
Authors:Xiong, X, Tortorici, M.A, Snijder, S, Yoshioka, C, Walls, A.C, Li, W, Seattle Structural Genomics Center for Infectious Disease (SSGCID), McGuire, A.T, Rey, F.A, Bosch, B.J, Veesler, D.
Deposit date:2017-10-27
Release date:2017-11-22
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Glycan Shield and Fusion Activation of a Deltacoronavirus Spike Glycoprotein Fine-Tuned for Enteric Infections.
J. Virol., 92, 2018
6BGN
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BU of 6bgn by Molmil
Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate
Descriptor: 2-hydroxymuconate tautomerase, 5-fluoranyl-2-oxidanylidene-pentanoic acid, GLYCEROL, ...
Authors:Zhang, Y, Li, W, Stack, T.
Deposit date:2017-10-29
Release date:2018-02-21
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Inactivation of 4-Oxalocrotonate Tautomerase by 5-Halo-2-hydroxy-2,4-pentadienoates.
Biochemistry, 57, 2018
7E4P
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BU of 7e4p by Molmil
Crystal structure of tubulin in complex with Ansamitocin P3
Descriptor: (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Li, W.
Deposit date:2021-02-14
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:C3 Ester Side Chain Plays a Pivotal Role in the Antitumor Activity of Maytansinoids
To Be Published
7E4Y
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BU of 7e4y by Molmil
Crystal structure of tubulin in complex with L-DM4-SMe
Descriptor: (1S,2S,3S,5R,6S,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Li, W.
Deposit date:2021-02-16
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.708 Å)
Cite:C3 Ester Side Chain Plays a Pivotal Role in the Antitumor Activity of Maytansinoids
To Be Published
6KMJ
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BU of 6kmj by Molmil
Crystal structure of Sth1 bromodomain in complex with H3K14Ac
Descriptor: GLYCEROL, Histone H3, Nuclear protein STH1/NPS1
Authors:Chen, G, Li, W, Yan, F, Wang, D, Chen, Y.
Deposit date:2019-07-31
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Structural Basis for Specific Recognition of H3K14 Acetylation by Sth1 in the RSC Chromatin Remodeling Complex.
Structure, 28, 2020
6KMB
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BU of 6kmb by Molmil
Crystal structure of Sth1 bromodomain
Descriptor: GLYCEROL, Nuclear protein STH1/NPS1
Authors:Chen, G, Li, W, Yan, F, Wang, D, Chen, Y.
Deposit date:2019-07-31
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structural Basis for Specific Recognition of H3K14 Acetylation by Sth1 in the RSC Chromatin Remodeling Complex.
Structure, 28, 2020
4ZM9
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BU of 4zm9 by Molmil
Crystal structure of circularly permuted human asparaginase-like protein 1
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CITRATE ANION, ...
Authors:Li, W.Z, Zhang, Y.
Deposit date:2015-05-02
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Intramolecular Cleavage of the hASRGL1 Homodimer Occurs in Two Stages.
Biochemistry, 55, 2016
3DPC
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BU of 3dpc by Molmil
Structure of E.coli Alkaline Phosphatase Mutant in Complex with a Phosphorylated Peptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkaline phosphatase, PHOSPHATE ION, ...
Authors:Wang, W.H, Jiang, T.
Deposit date:2008-07-07
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of a universal phosphorylated peptide-binding protein for simultaneous assay of kinases
Biosens.Bioelectron., 24, 2009
7NAB
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BU of 7nab by Molmil
Crystal structure of human neutralizing mAb CV3-25 binding to SARS-CoV-2 S MPER peptide 1140-1165
Descriptor: CITRIC ACID, CV3-25 Fab Heavy Chain, CV3-25 Fab Light Chain, ...
Authors:Chen, Y, Tolbert, W.D, Pazgier, M.
Deposit date:2021-06-21
Release date:2021-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis and mode of action for two broadly neutralizing antibodies against SARS-CoV-2 emerging variants of concern.
Cell Rep, 38, 2022
5I3L
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BU of 5i3l by Molmil
DPF3b in complex with H3K14ac peptide
Descriptor: 1,2-ETHANEDIOL, H3K14ac peptide, SODIUM ION, ...
Authors:Tempel, W, Liu, Y, Walker, J.R, Zhao, A, Qin, S, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-02-10
Release date:2016-02-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of DPF3b in complex with an acetylated histone peptide.
J.Struct.Biol., 195, 2016
4ET0
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BU of 4et0 by Molmil
Crystal structure of circularly permuted human asparaginase-like protein 1
Descriptor: L-asparaginase, SODIUM ION
Authors:Li, W.Z, Yogesha, S.D, Zhang, Y.
Deposit date:2012-04-23
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Uncoupling Intramolecular Processing and Substrate Hydrolysis in the N-Terminal Nucleophile Hydrolase hASRGL1 by Circular Permutation.
Acs Chem.Biol., 7, 2012
3FSH
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BU of 3fsh by Molmil
Crystal structure of the ubiquitin conjugating enzyme Ube2g2 bound to the G2BR domain of ubiquitin ligase gp78
Descriptor: Autocrine motility factor receptor, isoform 2, Ubiquitin-conjugating enzyme E2 G2
Authors:Tu, D, Brunger, A.T.
Deposit date:2009-01-09
Release date:2009-02-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Mechanistic insights into active site-associated polyubiquitination by the ubiquitin-conjugating enzyme Ube2g2.
Proc.Natl.Acad.Sci.USA, 106, 2009
4LGI
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BU of 4lgi by Molmil
N-terminal truncated NleC structure
Descriptor: Uncharacterized protein
Authors:Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W.
Deposit date:2013-06-28
Release date:2014-01-15
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structure and mechanism of a type III secretion protease, NleC
Acta Crystallogr.,Sect.D, 70, 2014
4LGJ
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BU of 4lgj by Molmil
Crystal structure and mechanism of a type III secretion protease
Descriptor: Uncharacterized protein, ZINC ION
Authors:Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W.
Deposit date:2013-06-28
Release date:2014-01-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure and mechanism of a type III secretion protease, NleC
Acta Crystallogr.,Sect.D, 70, 2014
5D6J
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BU of 5d6j by Molmil
Crystal structure of a mycobacterial protein
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Acyl-CoA synthase, MAGNESIUM ION, ...
Authors:Li, W.J, Bi, L.J.
Deposit date:2015-08-12
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of FadD32, an enzyme essential for mycolic acid biosynthesis in mycobacteria.
Sci Rep, 5, 2015
5D6N
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BU of 5d6n by Molmil
Crystal structure of a mycobacterial protein
Descriptor: Acyl-CoA synthase
Authors:Li, W.J, Bi, L.J.
Deposit date:2015-08-12
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Crystal structure of FadD32, an enzyme essential for mycolic acid biosynthesis in mycobacteria.
Sci Rep, 5, 2015
6LOI
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BU of 6loi by Molmil
Crystal structure of Enterococcus faecalis Undecaprenyl pyrophosphate synthase(EfaUPPS)
Descriptor: Isoprenyl transferase
Authors:Lin, W, Wang, C.Y, Li, W.J, Wang, F.L.
Deposit date:2020-01-05
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Investigations into the Antibacterial Mechanism of Action of Viridicatumtoxins.
Acs Infect Dis., 6, 2020
3TKJ
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BU of 3tkj by Molmil
Crystal Structure of Human Asparaginase-like Protein 1 Thr168Ala
Descriptor: L-asparaginase, SODIUM ION, SULFATE ION, ...
Authors:Li, W.Z, Yogesha, S.D, Liu, J, Zhang, Y.
Deposit date:2011-08-26
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Uncoupling Intramolecular Processing and Substrate Hydrolysis in the N-Terminal Nucleophile Hydrolase hASRGL1 by Circular Permutation.
Acs Chem.Biol., 7, 2012

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