6TTQ
 
 | | PKM2 in complex with Compound 10 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 1-propan-2-yl-3-pyridin-4-yl-urea, Pyruvate kinase PKM | | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | | Deposit date: | 2019-12-30 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
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6WY4
 | | Crystal Structure of Wild Type Class D beta-lactamase from Clostridium difficile 630 | | Descriptor: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM ION | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-12 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Wild Type Class D beta-lactamase from Clostridium difficile 630
To Be Published
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3USZ
 | | Crystal structure of truncated exo-1,3/1,4-beta-glucanase (EXOP) from Pseudoalteromonas sp. BB1 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Exo-1,3/1,4-beta-glucanase, ... | | Authors: | Nakatani, Y, Cutfield, S.M, Cutfield, J.F. | | Deposit date: | 2011-11-24 | | Release date: | 2011-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and activity of exo-1,3/1,4-beta-glucanase from marine bacterium Pseudoalteromonas sp. BB1 showing a novel C-terminal domain
Febs J., 2011
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6WYW
 | | Crystal structure of Pseudomonas 7A Glutaminase-Asparaginase in complex with L-Asp at pH 4.5 | | Descriptor: | ASPARTIC ACID, Glutaminase-asparaginase | | Authors: | Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J. | | Deposit date: | 2020-05-13 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria.
Sci Rep, 10, 2020
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3GDS
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6WWZ
 | | Cryo-EM structure of the human chemokine receptor CCR6 in complex with CCL20 and a Go protein | | Descriptor: | C-C chemokine receptor type 6,C-C chemokine receptor type 6, C-C motif chemokine 20, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wasilko, D.J, Johnson, Z.L, Ammirati, M, Han, S, Wu, H. | | Deposit date: | 2020-05-09 | | Release date: | 2020-06-24 | | Last modified: | 2020-07-01 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Structural basis for chemokine receptor CCR6 activation by the endogenous protein ligand CCL20.
Nat Commun, 11, 2020
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4JSC
 | | The 2.5A crystal structure of humanized Xenopus MDM2 with RO5316533 - a pyrrolidine MDM2 inhibitor | | Descriptor: | (3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Janson, C.A, Lukacs, C, Graves, B. | | Deposit date: | 2013-03-22 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of RG7388, a Potent and Selective p53-MDM2 Inhibitor in Clinical Development.
J.Med.Chem., 56, 2013
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6WF6
 | | Streptomyces coelicolor methylmalonyl-CoA epimerase | | Descriptor: | COBALT (II) ION, DI(HYDROXYETHYL)ETHER, Methylmalonyl-CoA epimerase | | Authors: | Stunkard, L.M, Benjamin, A.B, Bower, J.B, Huth, T.J, Lohman, J.R. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase.
Chembiochem, 23, 2022
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6WFH
 | | Streptomyces coelicolor methylmalonyl-CoA epimerase substrate complex | | Descriptor: | (3S,5R,9R,19E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name), CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Stunkard, L.M, Benjamin, A.B, Bower, J.B, Huth, T.J, Lohman, J.R. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase.
Chembiochem, 23, 2022
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3DVC
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6WK8
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6TBT
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3UPK
 | | E. cloacae MURA in complex with UNAG | | Descriptor: | 1,2-ETHANEDIOL, TRIETHYLENE GLYCOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... | | Authors: | Zhu, J.-Y, Yang, Y, Schonbrunn, E. | | Deposit date: | 2011-11-18 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
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4JFG
 | | Crystal structure of sfGFP-66-HqAla | | Descriptor: | CESIUM ION, Green fluorescent protein, quinolin-8-ol | | Authors: | Wang, J, Liu, X, Li, J, Zhang, W, Hu, M, Zhou, J. | | Deposit date: | 2013-02-28 | | Release date: | 2013-10-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | Significant expansion of the fluorescent protein chromophore through the genetic incorporation of a metal-chelating unnatural amino acid.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4JSO
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6WYX
 | | Crystal structure of Pseudomonas 7A Glutaminase-Asparaginase in complex with L-Asp at pH 5.0 | | Descriptor: | ASPARTIC ACID, GLYCEROL, Glutaminase-asparaginase | | Authors: | Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J. | | Deposit date: | 2020-05-13 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria.
Sci Rep, 10, 2020
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6WZU
 | | The crystal structure of Papain-Like Protease of SARS CoV-2 , P3221 space group | | Descriptor: | CHLORIDE ION, GLYCEROL, Non-structural protein 3, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-14 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
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3HI4
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6X25
 | | CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 1-PHOSPHATASE INPP1 IN COMPLEX GADOLINIUM AFTER ADDITION OF INOSITOL 1,3,4-TRISPHOSPHATE AND LITHIUM AT 3.2 ANGSTROM RESOLUTION | | Descriptor: | GADOLINIUM ATOM, Inositol polyphosphate 1-phosphatase, SULFATE ION | | Authors: | Dollins, D.E, Endo-Streeter, S, Ren, Y, York, J.D. | | Deposit date: | 2020-05-20 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | A structural basis for lithium and substrate binding of an inositide phosphatase.
J.Biol.Chem., 296, 2020
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6WK5
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6WDY
 | | Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Indole Phenylhydroxamate Inhibitor | | Descriptor: | 1,2-ETHANEDIOL, N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide, PHOSPHATE ION, ... | | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | | Deposit date: | 2020-04-01 | | Release date: | 2020-07-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase.
Acs Chem.Biol., 15, 2020
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6WK9
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3DJ1
 | | crystal structure of TIP-1 wild type | | Descriptor: | SULFATE ION, Tax1-binding protein 3 | | Authors: | Shen, Y. | | Deposit date: | 2008-06-21 | | Release date: | 2008-10-21 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of beta-Catenin Recognition by Tax-interacting Protein-1.
J.Mol.Biol., 384, 2008
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3HHV
 | | The crystal structure of the Thioredoxin A2 from Sulfolobus solfataricus | | Descriptor: | Thioredoxin (TrxA-2) | | Authors: | Ruggiero, A, Masullo, M, Ruocco, M.R, Arcari, P, Zagari, A, Vitagliano, L. | | Deposit date: | 2009-05-18 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | The dimeric structure of Sulfolobus solfataricus thioredoxin A2 and the basis of its thermostability
Proteins, 77, 2009
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2WMW
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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