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7BZ8
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BU of 7bz8 by Molmil
Template lasso peptide C24 mutant V3A
Descriptor: lasso peptide
Authors:Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M.
Deposit date:2020-04-27
Release date:2021-04-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
7BZ7
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BU of 7bz7 by Molmil
Template lasso peptide C24 mutant F15Y
Descriptor: lasso peptide
Authors:Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M.
Deposit date:2020-04-27
Release date:2021-04-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
7CU6
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BU of 7cu6 by Molmil
lasso peptide C24 mutant - A11V2C
Descriptor: lasso peptide C24_A11V2C
Authors:Ma, M, Liu, X.H.
Deposit date:2020-08-21
Release date:2021-08-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
7DXL
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BU of 7dxl by Molmil
Fragment-based Lead Discovery of Indazole-based Compounds as AXL Kinase Inhibitors
Descriptor: 3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile, Tyrosine-protein kinase Mer
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-01-19
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.146 Å)
Cite:Fragment-based lead discovery of indazole-based compounds as AXL kinase inhibitors.
Bioorg.Med.Chem., 49, 2021
7VUN
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BU of 7vun by Molmil
Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction
Descriptor: (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B.
Deposit date:2021-11-03
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022
1O2F
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BU of 1o2f by Molmil
COMPLEX OF ENZYME IIAGLC AND IIBGLC PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE
Descriptor: PHOSPHITE ION, PTS system, glucose-specific IIA component, ...
Authors:Clore, G.M, Cai, M, Williams, D.C.
Deposit date:2003-03-11
Release date:2003-05-13
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution Structure of the Phosphoryl Transfer Complex between the Signal-transducing Protein IIAGlucose and the Cytoplasmic Domain of the Glucose Transporter IICBGlucose of the Escherichia coli Glucose Phosphotransferase System.
J.Biol.Chem., 278, 2003
7EP2
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BU of 7ep2 by Molmil
Crystal structure of ZYG11B bound to GGFN degron
Descriptor: Protein zyg-11 homolog B
Authors:Yan, X, Li, Y.
Deposit date:2021-04-26
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021
7EP5
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BU of 7ep5 by Molmil
Crystal structure of ZER1 bound to GKLH degron
Descriptor: Protein zer-1 homolog
Authors:Yan, X, Li, Y.
Deposit date:2021-04-26
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021
7EP1
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BU of 7ep1 by Molmil
Crystal structure of ZYG11B bound to GFLH degron
Descriptor: Protein zyg-11 homolog B
Authors:Yan, X, Li, Y.
Deposit date:2021-04-26
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021
7EP4
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BU of 7ep4 by Molmil
Crystal structure of ZER1 bound to GFLH degron
Descriptor: Protein zer-1 homolog
Authors:Yan, X, Li, Y.
Deposit date:2021-04-26
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021
7EP0
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BU of 7ep0 by Molmil
Crystal structure of ZYG11B bound to GSTE degron
Descriptor: Protein zyg-11 homolog B, sodium 3,3'-(1E,1'E)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)
Authors:Yan, X, Li, Y.
Deposit date:2021-04-26
Release date:2021-07-14
Last modified:2021-09-01
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021
7EP3
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BU of 7ep3 by Molmil
Crystal structure of ZER1 bound to GAGN degron
Descriptor: Protein zer-1 homolog
Authors:Yan, X, Li, Y.
Deposit date:2021-04-26
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.513 Å)
Cite:Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021
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
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
5ZLJ
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BU of 5zlj by Molmil
Crystal structure of CotA native enzyme, PH8.0
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 (1.96 Å)
Cite:Structural Insight into the Allosteric Coupling of Cu1 Site and Trinuclear Cu Cluster in CotA Laccase.
Chembiochem, 19, 2018
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
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
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
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
6DNV
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BU of 6dnv by Molmil
Crystal Structure of Neisseria meningitidis DsbD n-terminal domain in the reduced form
Descriptor: SULFATE ION, Thiol:disulfide interchange protein DsbD
Authors:Smith, R.P, Heras, B, Paxman, J.J.
Deposit date:2018-06-08
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens.
J. Biol. Chem., 293, 2018
6DPS
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BU of 6dps by Molmil
Crystal Structure of Neisseria meningitidis DsbD n-terminal domain in the oxidised form
Descriptor: Thiol:disulfide interchange protein DsbD, ZINC ION
Authors:Heras, B, Smith, R.P, Paxman, J.J.
Deposit date:2018-06-09
Release date:2018-09-12
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.556 Å)
Cite:Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens.
J. Biol. Chem., 293, 2018
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
7C6C
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BU of 7c6c by Molmil
Crystal structure of native chitosanase from Bacillus subtilis MY002
Descriptor: (2S)-2-hydroxybutanedioic acid, Chitosanase
Authors:Gou, Y, Liu, Z.C, Xie, T, Wang, G.G.
Deposit date:2020-05-21
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.258 Å)
Cite:Structure-based rational design of chitosanase CsnMY002 for high yields of chitobiose.
Colloids Surf B Biointerfaces, 202, 2021

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