6ITM
 
 | | Crystal structure of FXR in complex with agonist XJ034 | | Descriptor: | 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone, Bile acid receptor, HD3 Peptide from Nuclear receptor coactivator 1 | | Authors: | Zhang, H, Wang, Z. | | Deposit date: | 2018-11-23 | | Release date: | 2019-11-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists.
J.Chem.Inf.Model., 60, 2020
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6J22
 | | Crystal structure of Bi-functional enzyme | | Descriptor: | Histidine biosynthesis bifunctional protein HisIE | | Authors: | Zhang, H, Shang, G, Wang, Y. | | Deposit date: | 2018-12-30 | | Release date: | 2020-01-01 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural analysis of Shigella flexneri bi-functional enzyme HisIE in histidine biosynthesis.
Biochem.Biophys.Res.Commun., 516, 2019
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6J2L
 | | Crystal structure of Bi-functional enzyme | | Descriptor: | Histidine biosynthesis bifunctional protein HisIE, MAGNESIUM ION, ZINC ION | | Authors: | Zhang, H, Shang, G, Wang, Y. | | Deposit date: | 2019-01-01 | | Release date: | 2020-01-01 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structural analysis of Shigella flexneri bi-functional enzyme HisIE in histidine biosynthesis.
Biochem.Biophys.Res.Commun., 516, 2019
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7X7S
 | | Solution structure of human adenylate kinase 1 (hAK1) | | Descriptor: | Adenylate kinase isoenzyme 1 | | Authors: | Zhang, H. | | Deposit date: | 2022-03-10 | | Release date: | 2022-05-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | ADP-Induced Conformational Transition of Human Adenylate Kinase 1 Is Triggered by Suppressing Internal Motion of alpha 3 alpha 4 and alpha 7 alpha 8 Fragments on the ps-ns Timescale.
Biomolecules, 12, 2022
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6LJ1
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6LJ2
 | | Crystal structure of NDM-1 in complex with heterodimer of D-captopril derivative wss02127 stereoisomer | | Descriptor: | (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, (1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, HYDROXIDE ION, ... | | Authors: | Zhang, H, Ma, G. | | Deposit date: | 2019-12-13 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
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6LJ5
 | | Crystal structure of NDM-1 in complex with D-captopril derivative wss04145 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ... | | Authors: | Zhang, H, Ma, G. | | Deposit date: | 2019-12-13 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
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6LJ0
 | | Crystal structure of NDM-1 in complex with D-captopril derivative wss02122 | | Descriptor: | (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | | Authors: | Zhang, H, Ma, G. | | Deposit date: | 2019-12-13 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
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6LJ4
 | | Crystal structure of NDM-1 in complex with D-captopril derivative wss04146 | | Descriptor: | (3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | | Authors: | Zhang, H, Ma, G. | | Deposit date: | 2019-12-13 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
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6LJ8
 | | Crystal structure of NDM-1 in complex with D-captopril derivative wss04134 | | Descriptor: | 1,2-ETHANEDIOL, 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid, Metallo-beta-lactamase type 2, ... | | Authors: | Zhang, H, Ma, G. | | Deposit date: | 2019-12-13 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
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6LJ6
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6LIP
 | | Crystal structure of NDM-1 in complex with D-captopril derivative wss0218 | | Descriptor: | (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | | Authors: | Zhang, H, Ma, G. | | Deposit date: | 2019-12-12 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
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6LIZ
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6LJ7
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6LL9
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7X32
 | | Crystal structure of E. coli NfsB in complex with berberine | | Descriptor: | BERBERINE, DIMETHYL SULFOXIDE, Dihydropteridine reductase, ... | | Authors: | Zhang, H, Wen, H.Y. | | Deposit date: | 2022-02-27 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.829 Å) | | Cite: | Structural basis for the transformation of the traditional medicine berberine by bacterial nitroreductase.
Acta Crystallogr D Struct Biol, 78, 2022
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5XRQ
 | | Crystal structure of human monoclonal antibody H3v-47 | | Descriptor: | Fab H3v-47 heavy chain, Fab H3v-47 light chain | | Authors: | Zhang, H, Willson, I.A. | | Deposit date: | 2017-06-09 | | Release date: | 2018-07-25 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A multifunctional human monoclonal neutralizing antibody that targets a unique conserved epitope on influenza HA.
Nat Commun, 9, 2018
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5XOM
 | | Hydra Fam20 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosaminoglycan xylosylkinase | | Authors: | Xiao, J, Zhang, H. | | Deposit date: | 2017-05-29 | | Release date: | 2018-04-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and evolution of the Fam20 kinases
Nat Commun, 9, 2018
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5XRS
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5XRT
 | | Crystal structure of A/Minnesota/11/2010 (H3N2) influenza virus hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, H, Wilson, I.A. | | Deposit date: | 2017-06-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | A multifunctional human monoclonal neutralizing antibody that targets a unique conserved epitope on influenza HA.
Nat Commun, 9, 2018
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7JR7
 | | Cryo-EM structure of ABCG5/G8 in complex with Fab 2E10 and 11F4 | | Descriptor: | ATP-binding cassette sub-family G member 5, ATP-binding cassette sub-family G member 8, Fab 11F4 heavy chain, ... | | Authors: | Huang, C.S, Yu, X, Min, X, Wang, Z, Zhang, H. | | Deposit date: | 2020-08-11 | | Release date: | 2021-04-07 | | Last modified: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of ABCG5/G8 in complex with modulating antibodies
Commun Biol, 4, 2021
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6M10
 | | Crystal structure of PA4853 (Fis) from Pseudomonas aeruginosa | | Descriptor: | Putative Fis-like DNA-binding protein | | Authors: | Zhang, H, Gao, Z, Zhou, J, Dong, Y. | | Deposit date: | 2020-02-24 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.985 Å) | | Cite: | Crystal structure of the nucleoid-associated protein Fis (PA4853) from Pseudomonas aeruginosa.
Acta Crystallogr.,Sect.F, 76, 2020
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4W6Q
 | | Glycosyltransferase C from Streptococcus agalactiae | | Descriptor: | SERINE, URIDINE-5'-DIPHOSPHATE, glucosyltransferase | | Authors: | Zhu, F, Zhang, H, Wu, H. | | Deposit date: | 2014-08-20 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A conserved domain is crucial for acceptor substrate binding in a family of glucosyltransferases.
J.Bacteriol., 197, 2015
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1BVY
 | | COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3) | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, PROTEIN (CYTOCHROME P450 BM-3), ... | | Authors: | Sevrioukova, I.F, Li, H, Zhang, H, Peterson, J.A, Poulos, T.L. | | Deposit date: | 1998-09-21 | | Release date: | 1999-02-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure of a cytochrome P450-redox partner electron-transfer complex.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1AE3
 | | MUTANT R82C OF GENE V PROTEIN (SINGLE-STRANDED DNA BINDING PROTEIN) | | Descriptor: | GENE V PROTEIN | | Authors: | Su, S, Gao, Y.-G, Zhang, H, Terwilliger, T.C, Wang, A.H.-J. | | Deposit date: | 1997-03-04 | | Release date: | 1997-09-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Analyses of the stability and function of three surface mutants (R82C, K69H, and L32R) of the gene V protein from Ff phage by X-ray crystallography.
Protein Sci., 6, 1997
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