7VX3
 
 | | OXA-58 crystal structure of acylated meropenem complex 2 | | Descriptor: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, ... | | Authors: | Saino, H, Sugiyabu, T, Miyano, M. | | Deposit date: | 2021-11-12 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | OXA-58 crystal structure of acylated meropenem complex 2
To be published
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4Q7E
 | | Non-phosphorylated HemR Receiver Domain from Leptospira biflexa | | Descriptor: | GLYCEROL, Response regulator of a two component regulatory system, SULFATE ION | | Authors: | Morero, N.R, Buschiazzo, A. | | Deposit date: | 2014-04-24 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.441 Å) | | Cite: | HemR is an OmpR/PhoB-like response regulator from Leptospira, which simultaneously effects transcriptional activation and repression of key haem metabolism genes.
Mol.Microbiol., 94, 2014
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7VX6
 | | OXA-58 crystal structure of acylated meropenem complex 2 | | Descriptor: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, ... | | Authors: | Saino, H, Sugiyabu, T, Miyano, M. | | Deposit date: | 2021-11-12 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | OXA-58 crystal structure of acylated meropenem complex 2
To be published
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7VRM
 | | crystal structure of BRD2-BD2 in complex with purine derivative | | Descriptor: | Bromodomain-containing protein 2, THEOPHYLLINE | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-23 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VRO
 | | crystal structure of BRD2-BD1 in complex with purine derivative | | Descriptor: | Bromodomain-containing protein 2, SULFATE ION, THEOBROMINE | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-23 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VRQ
 | | crystal structure of BRD2-BD2 in complex with purine derivative | | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, THEOBROMINE | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-23 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VSF
 | | crystal structure of BRD2-BD1 in complex with purine derivative | | Descriptor: | 3-methyl-7-propyl-purine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing protein 2, ... | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-26 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VS0
 | | crystal structure of BRD2-BD2 in complex with purine derivative | | Descriptor: | Bromodomain-containing protein 2, Doxofylline, GLYCEROL | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-25 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VRK
 | | crystal structure of BRD2-BD1 in complex with purine derivative | | Descriptor: | Bromodomain-containing protein 2, SULFATE ION, THEOPHYLLINE | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-23 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VRH
 | | crystal structure of BRD2-BD1 in complex with guanosine analog | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 9-HYROXYETHOXYMETHYLGUANINE, Bromodomain-containing protein 2, ... | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-22 | | Release date: | 2023-02-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VS1
 | | crystal structure of BRD2-BD2 in complex with purine derivative | | Descriptor: | 3-methyl-7-propyl-purine-2,6-dione, Bromodomain-containing protein 2, GLYCEROL | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-25 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VRI
 | | crystal structure of BRD2-BD2 in complex with guanosine analog | | Descriptor: | 9-HYROXYETHOXYMETHYLGUANINE, Bromodomain-containing protein 2 | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-23 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VRZ
 | | crystal structure of BRD2-BD1 in complex with purine derivative | | Descriptor: | Bromodomain-containing protein 2, Doxofylline, SULFATE ION | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-25 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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4Q2K
 | | Bovine alpha chymotrypsin bound to a cyclic peptide inhibitor, 5b | | Descriptor: | (11S)-4,9-dioxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide, Chymotrypsinogen A | | Authors: | Chan, H.Y, Bruning, J.B, Abell, A.D. | | Deposit date: | 2014-04-09 | | Release date: | 2014-07-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Macrocyclic protease inhibitors with reduced peptide character.
Angew.Chem.Int.Ed.Engl., 53, 2014
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7WKH
 | | the grass carp IFNa | | Descriptor: | Interferon | | Authors: | Zou, J, WANG, J, Wang, Z. | | Deposit date: | 2022-01-09 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural and Functional Analyses of Type I IFNa Shed Light Into Its Interaction With Multiple Receptors in Fish.
Front Immunol, 13, 2022
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4QHU
 | | Crystal Structure of IL-17A/Fab6785 complex | | Descriptor: | CHLORIDE ION, Fab6785 heavy chain, Fab6785 light chain, ... | | Authors: | Luo, J, Gilliland, G.L, Malia, T, Obmolova, G, Teplyakov, A. | | Deposit date: | 2014-05-29 | | Release date: | 2015-08-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | IL-17A Asymmetry in a Complex with a Neutralizing Antibody Fab6785 Reveals a Potential Mechanism of Receptor Differentiation
To be Published
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4Q67
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7WCE
 | | Crystal structure of HIV-1 integrase catalytic core domain in complex with (2S)-2-(tert-Butoxy)-2-(10-fluoro-2-(2-hydroxy-4-methylphenyl)-1,4-dimethyl-5-(methylsulfonyl)-5,6-dihydrophenanthridin-3-yl)acetic acid | | Descriptor: | (2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, GLYCEROL, Integrase catalytic, ... | | Authors: | Taoda, Y, Sekiguchi, Y. | | Deposit date: | 2021-12-20 | | Release date: | 2022-09-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of tricyclic HIV-1 integrase-LEDGF/p75 allosteric inhibitors by intramolecular direct arylation reaction.
Bioorg.Med.Chem.Lett., 64, 2022
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7WHU
 | | Human Neutrophil Elastase in-complex with Ecotin Peptide | | Descriptor: | 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, Ecotin Peptide, ... | | Authors: | Shankar, S, Jayaraman, S. | | Deposit date: | 2021-12-31 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Sequence preference and scaffolding requirement for the inhibition of human neutrophil elastase by ecotin peptide
Protein Sci., 31, 2022
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7WCQ
 | | Crystal structure of HIV-1 protease in complex with lactam derivative 1 | | Descriptor: | (3R,4R)-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(4-methylsulfonylphenyl)-4-oxidanyl-pyrrolidin-2-one, Protease | | Authors: | Kojima, E, Iimuro, A, Nakajima, M, Kinuta, H, Asada, N, Sako, Y, Nakata, Z, Uemura, K, Arita, S, Miki, S, Wakasa-Morimoto, C, Tachibana, Y, Fumoto, M. | | Deposit date: | 2021-12-20 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.011 Å) | | Cite: | Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template.
J.Med.Chem., 65, 2022
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7W3N
 | | Crystal structure of Ufm1 fused to UFBP1 UFIM | | Descriptor: | UFBP1 peptide,Ubiquitin-fold modifier 1 | | Authors: | Noda, N.N. | | Deposit date: | 2021-11-25 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The UFM1 system regulates ER-phagy through the ufmylation of CYB5R3.
Nat Commun, 13, 2022
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7WCY
 | | Crystal Structure of H-2Kb with Cryptosporidium parvum gp40/15 epitope | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ... | | Authors: | Wang, Y.L, Gao, M.H, Zhang, L.X, Fan, S.H. | | Deposit date: | 2021-12-20 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structural Analyses of a Dominant Cryptosporidium parvum Epitope Presented by H-2K b Offer New Options To Combat Cryptosporidiosis.
Mbio, 14, 2023
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4PH2
 | | mature N-terminal domain of capsid protein from bovine leukemia virus | | Descriptor: | BLV capsid - N-terminal domain, GLYCEROL, SULFATE ION | | Authors: | Trajtenberg, F, Obal, G, Pritsch, O, Buschiazzo, A. | | Deposit date: | 2014-05-03 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | STRUCTURAL VIROLOGY. Conformational plasticity of a native retroviral capsid revealed by x-ray crystallography.
Science, 349, 2015
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7WUO
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4RJF
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