6R6J
| Crystal structure of human carbonic anhydrase isozyme II with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2019-03-27 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
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7S7M
| Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/M66D/T98G/P131S/Q153N) with matrix metalloproteinase-3 catalytic domain (MMP-3cd) | Descriptor: | CALCIUM ION, Metalloproteinase inhibitor 1, Stromelysin-1, ... | Authors: | Coban, M, Raeeszadeh-Sarmazdeh, M, Sankaran, B, Hockla, A, Radisky, E.S. | Deposit date: | 2021-09-16 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Engineering of tissue inhibitor of metalloproteinases TIMP-1 for fine discrimination between closely related stromelysins MMP-3 and MMP-10. J.Biol.Chem., 298, 2022
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4ZOR
| The structure of the S37P MS2 viral capsid assembly. | Descriptor: | Coat protein, PHOSPHATE ION | Authors: | Asensio, M.A, Sankaran, B, Zwart, P.H, Tullman-Ercek, D. | Deposit date: | 2015-05-06 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Selection for Assembly Reveals That a Single Amino Acid Mutant of the Bacteriophage MS2 Coat Protein Forms a Smaller Virus-like Particle. Nano Lett., 16, 2016
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3NBW
| X-ray structure of ketohexokinase in complex with a pyrazole compound | Descriptor: | 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile, GLYCEROL, Ketohexokinase, ... | Authors: | Abad, M.C, Gibbs, A.C, Spurlino, J.C. | Deposit date: | 2010-06-04 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.341 Å) | Cite: | Electron density guided fragment-based lead discovery of ketohexokinase inhibitors. J.Med.Chem., 53, 2010
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6GB1
| Crystal structure of the GLP1 receptor ECD with Peptide 11 | Descriptor: | Glucagon-like peptide 1 receptor, HEXANE-1,6-DIOL, Peptide 11, ... | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2018-04-13 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations. J. Med. Chem., 61, 2018
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3N39
| Ribonucleotide Reductase Dimanganese(II)-NrdF from Escherichia coli in Complex with NrdI | Descriptor: | FLAVIN MONONUCLEOTIDE, MANGANESE (II) ION, Protein nrdI, ... | Authors: | Boal, A.K, Cotruvo Jr, J.A, Stubbe, J, Rosenzweig, A.C. | Deposit date: | 2010-05-19 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for activation of class Ib ribonucleotide reductase. Science, 329, 2010
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3NC2
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7RWH
| Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ... | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7RNH
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-45 | Descriptor: | 3C-like proteinase, 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-07-29 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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3N5N
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7RLS
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-68 | Descriptor: | 3C-like proteinase, 6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-07-26 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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5HPO
| Cycloalternan-forming enzyme from Listeria monocytogenes in complex with maltopentaose | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Winsor, J, Grimshaw, S, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-20 | Release date: | 2017-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
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8V5K
| Structure of the Human Respirovirus 3 Fusion Protein Bound to Camelid Nanobodies 4C03 and 4C06 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Camelid Nanobody 4C03, Camelid Nanobody 4C06, ... | Authors: | Johnson, N.V, Ramamohan, A.R, McLellan, J.S. | Deposit date: | 2023-11-30 | Release date: | 2024-05-22 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis for potent neutralization of human respirovirus type 3 by protective single-domain camelid antibodies. Nat Commun, 15, 2024
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5HR7
| X-ray crystal structure of C118A RlmN from Escherichia coli with cross-linked in vitro transcribed tRNA | Descriptor: | 5'-DEOXYADENOSINE, Dual-specificity RNA methyltransferase RlmN, IRON/SULFUR CLUSTER, ... | Authors: | Schwalm, E.L, Grove, T.L, Booker, S.J, Boal, A.K. | Deposit date: | 2016-01-22 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic capture of a radical S-adenosylmethionine enzyme in the act of modifying tRNA. Science, 352, 2016
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7RNK
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-71 | Descriptor: | 3C-like proteinase, 6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3H,5H)-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-07-29 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7RM2
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule-CSR-494190-S1 | Descriptor: | 3C-like proteinase, 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-07-26 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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6R8N
| STRUCTURE DETERMINATION OF THE TETRAHEDRAL AMINOPEPTIDASE TET2 FROM P. HORIKOSHII BY USE OF COMBINED SOLID-STATE NMR, SOLUTION-STATE NMR AND EM DATA 4.1 A, FOLLOWED BY REAL_SPACE_REFINEMENT AT 4.1 A | Descriptor: | Tetrahedral aminopeptidase, ZINC ION | Authors: | Colletier, J.-P, Gauto, D, Estrozi, L, Favier, A, Effantin, G, Schoehn, G, Boisbouvier, J, Schanda, P. | Deposit date: | 2019-04-02 | Release date: | 2019-08-14 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (4.1 Å), SOLUTION NMR | Cite: | Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex. Nat Commun, 10, 2019
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7RME
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-52 | Descriptor: | 3C-like proteinase, 6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-07-27 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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5KUS
| Human cyclophilin A at 100K, Data set 6 | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-13 | Release date: | 2016-08-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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7RDM
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5KV1
| Human cyclophilin A at 278K, Data set 3 | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-13 | Release date: | 2016-08-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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7Z1S
| X-ray crystal structure of SLPYL1-NIO complex | Descriptor: | GLYCEROL, NICOTINIC ACID, SlPYL1-NIO | Authors: | Infantes, L, Albert, A. | Deposit date: | 2022-02-25 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-Based Modulation of the Ligand Sensitivity of a Tomato Dimeric Abscisic Acid Receptor Through a Glu to Asp Mutation in the Latch Loop. Front Plant Sci, 13, 2022
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8OG5
| Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 | Descriptor: | 1,2-ETHANEDIOL, 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, ... | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | Deposit date: | 2023-03-19 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OG6
| Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 | Descriptor: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, DDB1- and CUL4-associated factor 1 | Authors: | Schroeder, M, Vulpetti, A, Renatus, M. | Deposit date: | 2023-03-19 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.245 Å) | Cite: | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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7QVM
| Human Oxytocin receptor (OTR) oxytocin Gq chimera (mGoqi) complex | Descriptor: | Antibody fragment scFv16, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Waltenspuhl, Y, Ehrenmann, J, Vacca, S, Thom, C, Medalia, O, Pluckthun, A. | Deposit date: | 2022-01-21 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural basis for the activation and ligand recognition of the human oxytocin receptor. Nat Commun, 13, 2022
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