6MG0
| Crystal structure of a 5-domain construct of LgrA in the thiolation state | Descriptor: | 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine, Linear gramicidin synthase subunit A | Authors: | Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M. | Deposit date: | 2018-09-12 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (6 Å) | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility. Science, 366, 2019
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5EF1
| RADIATION DAMAGE TO THE TRAP-RNA COMPLEX: DOSE (DWD) 19.3 MGy | Descriptor: | (GAGUU)10GAG 53-NUCLEOTIDE RNA, TRYPTOPHAN, Transcription attenuation protein MtrB | Authors: | Bury, C.S, McGeehan, J.E, Garman, E.F, Shevtsov, M.B. | Deposit date: | 2015-10-23 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | RNA protects a nucleoprotein complex against radiation damage. Acta Crystallogr D Struct Biol, 72, 2016
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5M48
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8Q3H
| Capra hircus reactive intermediate deaminase A mutant - A108D | Descriptor: | 1,2-ETHANEDIOL, 2-iminobutanoate/2-iminopropanoate deaminase, GLYCEROL | Authors: | Rizzi, G, Visentin, C, Di Pisa, F, Ricagno, S. | Deposit date: | 2023-08-04 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Capra hircus reactive intermediate deaminase A mutant - A108D To Be Published
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8PA5
| Crystal structure of the metallo-beta-lactamase VIM1 with 2540 | Descriptor: | 3-(3-ethoxy-5-methyl-pyridin-4-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-07 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2540 To Be Published
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8PA3
| Crystal structure of the metallo-beta-lactamase VIM1 with 2500 | Descriptor: | 7-[(1~{S})-1-[4-(2-azanylethyl)phenoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-07 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2500 To Be Published
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5WMU
| Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase I | Descriptor: | CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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8PAM
| Crystal structure of the metallo-beta-lactamase VIM1 with 2652 | Descriptor: | 7-[(1~{R})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-08 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2652 To Be Published
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5X1N
| Vanillate/3-O-methylgallate O-demethylase, LigM, protocatechuate-tetrahydrofolate complex form | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Harada, A, Senda, T. | Deposit date: | 2017-01-26 | Release date: | 2017-05-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6 FEBS J., 284, 2017
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5LOH
| Kinase domain of human Greatwall | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, STAUROSPORINE, ... | Authors: | Rajasekaran, M.B, Pearl, L.H, Oliver, A.W. | Deposit date: | 2016-08-09 | Release date: | 2016-09-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A first generation inhibitor of human Greatwall kinase, enabled by structural and functional characterisation of a minimal kinase domain construct. Oncotarget, 7, 2016
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5WN8
| Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lewis-Ballester, A, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L, Yeh, S.R. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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6LRZ
| Crystal structure of Keap1 in complex with dimethyl fumarate (DMF) | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETATE ION, Keap1-DC, ... | Authors: | Padmanabhan, B, Unni, S, Deshmukh, P. | Deposit date: | 2020-01-16 | Release date: | 2020-08-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1. Febs J., 288, 2021
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7X68
| CYS179 and CYS504 of CRMP2 were covalently binded by a Sesquiterpene lactone | Descriptor: | (3aR,5S,8R,8aR,9aR)-5,8a-dimethyl-3-methylidene-8-oxidanyl-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one, Dihydropyrimidinase-related protein 2, SODIUM ION | Authors: | Zhang, S.D, Ma, Y.F, Zhang, J. | Deposit date: | 2022-03-06 | Release date: | 2022-05-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CYS179 and CYS504 of CRMP2 were covalently binded by a Sesquiterpene lactone To Be Published
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5ESE
| Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73R mutant complexed with fluconazole | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-11-16 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
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6MAA
| WFIKKN2 Follistatin Domain | Descriptor: | NITRATE ION, WAP, Kazal, ... | Authors: | McCoy, J.C, Walker, R.G, Thomas, T.B. | Deposit date: | 2018-08-27 | Release date: | 2019-03-06 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.394 Å) | Cite: | Crystal structure of the WFIKKN2 follistatin domain reveals insight into how it inhibits growth differentiation factor 8 (GDF8) and GDF11. J.Biol.Chem., 294, 2019
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6MAE
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5LPE
| Kallikrein-related peptidase 10 complex with Zn2+ | Descriptor: | Kallikrein-10, SULFATE ION, ZINC ION | Authors: | Goettig, P, Debela, M, Magdolen, V, Bode, W, Brandstetter, H. | Deposit date: | 2016-08-12 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for the Zn2+ inhibition of the zymogen-like kallikrein-related peptidase 10. Biol.Chem., 397, 2016
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6MC3
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8PAH
| Crystal structure of the metallo-beta-lactamase VIM1 with 2596 | Descriptor: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-07 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2596 To Be Published
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8DGZ
| Caspase-7 bound to substrate mimic and allosteric inhibitor | Descriptor: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid, Ac-Asp-Glu-Val-Asp-Aldehyde, Caspase-7 | Authors: | Propp, J, Kalenkiewicz, A, Kathryn, F.H, Spies, M.A. | Deposit date: | 2022-06-24 | Release date: | 2023-07-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power. Chemistry, 29, 2023
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8PY3
| Crystal structure of human Sirt2 in complex with a 1,2,4-oxadiazole based inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-chloranyl-~{N}-[4-[5-[[(3~{S})-1-[(3-fluoranyl-2-methyl-phenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzamide, ... | Authors: | Friedrich, F, Colcerasa, A, Einsle, O, Jung, M. | Deposit date: | 2023-07-24 | Release date: | 2024-06-19 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-Activity Studies of 1,2,4-Oxadiazoles for the Inhibition of the NAD + -Dependent Lysine Deacylase Sirtuin 2. J.Med.Chem., 67, 2024
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8PBW
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8DJ3
| Caspase-7 bound to novel allosteric inhibitor | Descriptor: | 2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid, Caspase-7 | Authors: | Propp, J, Kalenkiewicz, A, Kathryn, F.H, Spies, M.A. | Deposit date: | 2022-06-29 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power. Chemistry, 29, 2023
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8PA8
| Crystal structure of the metallo-beta-lactamase VIM1 with 2551 | Descriptor: | 7-[(1~{S})-1-[4-(3-azanylpropyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-07 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2551 To Be Published
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7XAY
| Crystal structure of Hat1-Hat2-Asf1-H3-H4 | Descriptor: | COENZYME A, Histone H3, Histone H4, ... | Authors: | Yue, Y, Yang, W.S, Xu, R.M. | Deposit date: | 2022-03-19 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Topography of histone H3-H4 interaction with the Hat1-Hat2 acetyltransferase complex. Genes Dev., 36, 2022
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