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4OEX
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BU of 4oex by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
Descriptor: 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Chen, T.T, Ren, J, Xu, Y.C.
Deposit date:2014-01-14
Release date:2015-04-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.
J.Med.Chem., 57, 2014
8XV2
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BU of 8xv2 by Molmil
Thiamine-bound human SLC19A3
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Soluble cytochrome b562,Thiamine transporter 2
Authors:Dang, Y, Wang, G.P, Zhang, Z.
Deposit date:2024-01-14
Release date:2024-03-27
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Substrate and drug recognition mechanisms of SLC19A3.
Cell Res., 34, 2024
8XV5
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BU of 8xv5 by Molmil
Pyridoxamine-bound human SLC19A3
Descriptor: 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL, Soluble cytochrome b562,Thiamine transporter 2
Authors:Dang, Y, Wang, G.P, Zhang, Z.
Deposit date:2024-01-14
Release date:2024-03-27
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Substrate and drug recognition mechanisms of SLC19A3.
Cell Res., 34, 2024
6K0Y
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BU of 6k0y by Molmil
Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor
Descriptor: 1,2-ETHANEDIOL, Antibody Heavy Chain, Antibody Light Chain, ...
Authors:Liu, J.X, Wang, G.Q.
Deposit date:2019-05-08
Release date:2019-12-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor.
Sci Rep, 9, 2019
3F9V
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BU of 3f9v by Molmil
Crystal Structure Of A Near Full-Length Archaeal MCM: Functional Insights For An AAA+ Hexameric Helicase
Descriptor: Minichromosome maintenance protein MCM
Authors:Chen, X.J, Brewster, A.S, Wang, G.G, Yu, X, Greenleaf, W, Tjajadi, M, Klein, M.
Deposit date:2008-11-14
Release date:2008-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (4.35 Å)
Cite:Crystal structure of a near-full-length archaeal MCM: Functional insights for an AAA+ hexameric helicase.
Proc.Natl.Acad.Sci.USA, 105, 2008
5DDV
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BU of 5ddv by Molmil
Crystal structure of IspD from Bacillus subtilis at 2.30 Angstroms resolution, crystal form II
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
Authors:Jin, Y, Liu, Z.C, Wang, G.G.
Deposit date:2015-08-25
Release date:2016-08-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
7KGY
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BU of 7kgy by Molmil
Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide
Descriptor: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL
Authors:Simpson, J.B, Redinbo, M.R.
Deposit date:2020-10-19
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
7KGZ
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BU of 7kgz by Molmil
FMN-binding beta-glucuronidase from Roseburia hominis
Descriptor: Beta-glucuronidase, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2020-10-19
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
5ZLM
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BU of 5zlm by Molmil
Mutation in the trinuclear site of CotA-laccase: H491C mutant, PH 8.0
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ...
Authors:Xie, T, Liu, Z.C, Wang, G.G.
Deposit date:2018-03-28
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insight into the Allosteric Coupling of Cu1 Site and Trinuclear Cu Cluster in CotA Laccase.
Chembiochem, 19, 2018
5ZLK
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BU of 5zlk by Molmil
Mutation in the trinuclear site of CotA-laccase: H493A mutant, PH 8.0
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ...
Authors:Xie, T, Liu, Z.C, Wang, G.G.
Deposit date:2018-03-28
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insight into the Allosteric Coupling of Cu1 Site and Trinuclear Cu Cluster in CotA Laccase.
Chembiochem, 19, 2018
5X8H
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BU of 5x8h by Molmil
Crystal structure of the ketone reductase ChKRED20 from the genome of Chryseobacterium sp. CA49
Descriptor: Short-chain dehydrogenase reductase
Authors:Zhao, F.J, Jin, Y, Liu, Z.C, Wang, G.G, Wu, Z.L.
Deposit date:2017-03-02
Release date:2017-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure and iterative saturation mutagenesis of ChKRED20 for expanded catalytic scope
Appl. Microbiol. Biotechnol., 101, 2017
5ZLL
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BU of 5zll by Molmil
Mutation in the trinuclear site of CotA-laccase: H493C mutant, PH 8.0
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ...
Authors:Xie, T, Liu, Z.C, Wang, G.G.
Deposit date:2018-03-28
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insight into the Allosteric Coupling of Cu1 Site and Trinuclear Cu Cluster in CotA Laccase.
Chembiochem, 19, 2018
7CHF
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BU of 7chf by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with BD-604 Fab and BD-368-2 Fab
Descriptor: BD-368-2 Fab heavy chain, BD-368-2 Fab light chain, BD-604 Fab heavy chain, ...
Authors:Xiao, J, Zhu, Q.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.674 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CHE
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BU of 7che by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with BD-236 Fab and BD-368-2 Fab
Descriptor: BD-236 Fab heavy chain, BD-236 Fab light chain, BD-368-2 Fab heavy chain, ...
Authors:Xiao, J, Zhu, Q.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.416 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CH4
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BU of 7ch4 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-604 Fab
Descriptor: BD-604 Fab H, BD-604 Fab L, Spike protein S1
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CHB
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BU of 7chb by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with BD-236 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD-236 Fab heavy chain, BD-236 Fab light chain, ...
Authors:Xiao, J, Zhu, Q.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
8HGH
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BU of 8hgh by Molmil
Structure of 2:2 PAPP-A.STC2 complex
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION
Authors:Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
Deposit date:2022-11-14
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
8HGG
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BU of 8hgg by Molmil
Structure of 2:2 PAPP-A.ProMBP complex
Descriptor: Bone marrow proteoglycan, Pappalysin-1, ZINC ION
Authors:Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
Deposit date:2022-11-14
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
6IXM
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BU of 6ixm by Molmil
Crystal structure of the ketone reductase ChKRED20 from the genome of Chryseobacterium sp. CA49 complexed with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Short-chain dehydrogenase reductase
Authors:Zhao, F.J, Jin, Y, Liu, Z.C, Wang, G.G, Wu, Z.L.
Deposit date:2018-12-11
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structure-guided engineering of ChKRED20 from Chryseobacterium sp. CA49 for asymmetric reduction of aryl ketoesters.
Enzyme Microb. Technol., 125, 2019
7CHC
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BU of 7chc by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab and BD-368-2 Fab
Descriptor: BD-368-2 Fab H, BD-368-2 Fab L, BD-629 Fab H, ...
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CH5
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BU of 7ch5 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab
Descriptor: BD-629 Fab H, BD-629 Fab L, Spike protein S1
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
6KLI
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BU of 6kli by Molmil
Crystal Structure of the Zea Mays laccase 3 complexed with sinapyl
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol, ...
Authors:Xie, T, Liu, Z.C, Wang, G.G.
Deposit date:2019-07-30
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for monolignol oxidation by a maize laccase.
Nat.Plants, 6, 2020
6KLJ
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BU of 6klj by Molmil
Crystal Structure of the Zea Mays laccase 3 complexed with coniferyl
Descriptor: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xie, T, Liu, Z.C, Wang, G.G.
Deposit date:2019-07-30
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural basis for monolignol oxidation by a maize laccase.
Nat.Plants, 6, 2020
6DNU
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BU of 6dnu by Molmil
Crystal Structure of Neisseria meningitidis DsbD c-terminal domain in the oxidised form
Descriptor: HEXAETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbD
Authors:Heras, B, Smith, R.P, Paxman, J.J.
Deposit date:2018-06-07
Release date:2018-09-12
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.283 Å)
Cite:Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens.
J. Biol. Chem., 293, 2018
6DNL
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BU of 6dnl by Molmil
Crystal Structure of Neisseria meningitidis DsbD c-terminal domain in the reduced form
Descriptor: ACETATE ION, Thiol:disulfide interchange protein DsbD, ZINC ION
Authors:Smith, R.P, Heras, B, Paxman, J.J.
Deposit date:2018-06-06
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens.
J. Biol. Chem., 293, 2018

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數據於2024-07-10公開中

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