4RSD
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![BU of 4rsd by Molmil](/molmil-images/mine/4rsd) | STRUCTURE OF THE D121A VARIANT OF RIBONUCLEASE A | Descriptor: | ACETATE ION, CHLORIDE ION, RIBONUCLEASE A | Authors: | Schultz, L.W, Quirk, D.J, Raines, R.T. | Deposit date: | 1998-02-05 | Release date: | 1998-07-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | His...Asp catalytic dyad of ribonuclease A: structure and function of the wild-type, D121N, and D121A enzymes. Biochemistry, 37, 1998
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5VQT
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![BU of 5vqt by Molmil](/molmil-images/mine/5vqt) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor | Descriptor: | 2-chloro-N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | Authors: | Chan, A.H, Czyzyk, D.J, Anderson, K.S. | Deposit date: | 2017-05-09 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.556 Å) | Cite: | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5OO1
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5W5A
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![BU of 5w5a by Molmil](/molmil-images/mine/5w5a) | Crystal structure of Mycobacterium tuberculosis CRP-FNR family transcription factor Cmr (Rv1675c) | Descriptor: | CHLORIDE ION, HTH-type transcriptional regulator Cmr, SULFATE ION | Authors: | Cheung, J, Cassidy, M, Ginter, C, Ranganathan, S, Pata, D.J, McDonough, K.A. | Deposit date: | 2017-06-14 | Release date: | 2017-12-13 | Last modified: | 2019-01-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Novel structural features drive DNA binding properties of Cmr, a CRP family protein in TB complex mycobacteria. Nucleic Acids Res., 46, 2018
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6Q4B
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![BU of 6q4b by Molmil](/molmil-images/mine/6q4b) | CDK2 in complex with FragLite13 | Descriptor: | 5-bromanylpyrimidine, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4J
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![BU of 6q4j by Molmil](/molmil-images/mine/6q4j) | CDK2 in complex with FragLite34 | Descriptor: | 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6PSZ
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![BU of 6psz by Molmil](/molmil-images/mine/6psz) | Poliovirus (Type 1 Mahoney), heat-catalysed 135S particle | Descriptor: | VP1, VP2, VP3 | Authors: | Hogle, J.M, Filman, D.J, Shah, P.N.M. | Deposit date: | 2019-07-14 | Release date: | 2020-07-15 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate. Plos Pathog., 16, 2020
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4TTL
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5W5B
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![BU of 5w5b by Molmil](/molmil-images/mine/5w5b) | Crystal structure of Mycobacterium tuberculosis CRP-FNR family transcription factor Cmr (Rv1675c), truncated construct | Descriptor: | CHLORIDE ION, HTH-type transcriptional regulator Cmr | Authors: | Cheung, J, Cassidy, M, Ginter, C, Ranganathan, S, Pata, D.J, McDonough, K.A. | Deposit date: | 2017-06-14 | Release date: | 2017-12-13 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel structural features drive DNA binding properties of Cmr, a CRP family protein in TB complex mycobacteria. Nucleic Acids Res., 46, 2018
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4RWN
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![BU of 4rwn by Molmil](/molmil-images/mine/4rwn) | Crystal structure of the pre-reactive state of porcine OAS1 | Descriptor: | 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity. Structure, 23, 2015
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4TTK
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4TTN
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![BU of 4ttn by Molmil](/molmil-images/mine/4ttn) | Quasi-racemic structure of [G6A]kalata B1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, D-kalata B1, Kalata-B1 | Authors: | Wang, C.K, King, G.J, Craik, D.J. | Deposit date: | 2014-06-22 | Release date: | 2014-09-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.2507 Å) | Cite: | Racemic and Quasi-Racemic X-ray Structures of Cyclic Disulfide-Rich Peptide Drug Scaffolds. Angew.Chem.Int.Ed.Engl., 53, 2014
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8CVN
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![BU of 8cvn by Molmil](/molmil-images/mine/8cvn) | Cryo-EM Structure of Human 15-PGDH in Complex with Small Molecule SW209415 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-[butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine | Authors: | Huang, W, Taylor, D.J. | Deposit date: | 2022-05-18 | Release date: | 2023-03-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system. Nat Commun, 14, 2023
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5W93
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![BU of 5w93 by Molmil](/molmil-images/mine/5w93) | p130Cas complex with paxillin LD1 | Descriptor: | Breast cancer anti-estrogen resistance protein 1, Paxillin | Authors: | Miller, D.J, Zheng, J.J. | Deposit date: | 2017-06-22 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural and functional insights into the interaction between the Cas family scaffolding protein p130Cas and the focal adhesion-associated protein paxillin. J. Biol. Chem., 292, 2017
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4RWO
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![BU of 4rwo by Molmil](/molmil-images/mine/4rwo) | Crystal structure of the porcine OAS1 L149R mutant in complex with dsRNA and ApCpp in the AMP donor position | Descriptor: | 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity. Structure, 23, 2015
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8CWL
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![BU of 8cwl by Molmil](/molmil-images/mine/8cwl) | Cryo-EM structure of Human 15-PGDH in complex with small molecule SW222746 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one | Authors: | Huang, W, Taylor, D.J. | Deposit date: | 2022-05-19 | Release date: | 2023-03-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system. Nat Commun, 14, 2023
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5OSJ
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![BU of 5osj by Molmil](/molmil-images/mine/5osj) | Cdk2(WT) with covalent adduct at C177 | Descriptor: | Cyclin-dependent kinase 2, ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | Deposit date: | 2017-08-17 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery. Angew. Chem. Int. Ed. Engl., 57, 2018
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5OSN
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![BU of 5osn by Molmil](/molmil-images/mine/5osn) | Crystal Structure of Bovine Enterovirus 2 determined with Serial Femtosecond X-ray Crystallography | Descriptor: | Capsid protein, GLUTAMIC ACID, POTASSIUM ION, ... | Authors: | Roedig, P, Ginn, H.M, Pakendorf, T, Sutton, G, Harlos, K, Walter, T.S, Meyer, J, Fischer, P, Duman, R, Vartiainen, I, Reime, B, Warmer, M, Brewster, A.S, Young, I.D, Michels-Clark, T, Sauter, N.K, Kotecha, A, Kelly, J, Rowlands, D.J, Sikorsky, M, Nelson, S, Damiani, D.S, Alonso-Mori, R, Ren, J, Fry, E.E, David, C, Stuart, D.I, Wagner, A, Meents, A. | Deposit date: | 2017-08-17 | Release date: | 2017-08-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | High-speed fixed-target serial virus crystallography. Nat. Methods, 14, 2017
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5OO3
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5WEZ
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![BU of 5wez by Molmil](/molmil-images/mine/5wez) | Structure of the Tir-CesT effector-chaperone complex | Descriptor: | Tir chaperone, Translocated intimin receptor Tir | Authors: | Little, D.J, Coombes, B.K. | Deposit date: | 2017-07-11 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Molecular basis for CesT recognition of type III secretion effectors in enteropathogenic Escherichia coli. PLoS Pathog., 14, 2018
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4TZ0
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![BU of 4tz0 by Molmil](/molmil-images/mine/4tz0) | DEAD-box helicase Mss116 bound to ssRNA and GDP-BeF | Descriptor: | ATP-dependent RNA helicase MSS116, mitochondrial, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Mallam, A.L, Sidote, D.J, Lambowitz, A.M. | Deposit date: | 2014-07-09 | Release date: | 2014-12-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular insights into RNA and DNA helicase evolution from the determinants of specificity for a DEAD-box RNA helicase. Elife, 3, 2014
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8CXC
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![BU of 8cxc by Molmil](/molmil-images/mine/8cxc) | Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics | Descriptor: | 3F2 Antibody heavy chain, 3F2 Antibody light chain, Mesothelin, ... | Authors: | Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E. | Deposit date: | 2022-05-20 | Release date: | 2023-06-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (4.31 Å) | Cite: | Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics Front. Drug Discov., 3, 2023
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8CYH
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![BU of 8cyh by Molmil](/molmil-images/mine/8cyh) | Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, A12 antibody heavy chain, A12 antibody light chain, ... | Authors: | Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E. | Deposit date: | 2022-05-23 | Release date: | 2023-06-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics Front. Drug Discov., 3, 2023
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5OSM
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![BU of 5osm by Molmil](/molmil-images/mine/5osm) | Cdk2(F80C, C177A) with covalent adduct at C80 | Descriptor: | Cyclin-dependent kinase 2, methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | Deposit date: | 2017-08-17 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery. Angew. Chem. Int. Ed. Engl., 57, 2018
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1FQ8
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![BU of 1fq8 by Molmil](/molmil-images/mine/1fq8) | X-RAY STRUCTURE OF DIFLUOROSTATINE INHIBITOR CP81,198 BOUND TO SACCHAROPEPSIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2 -yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide, SACCHAROPEPSIN, ... | Authors: | Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B. | Deposit date: | 2000-09-04 | Release date: | 2000-09-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity. J.Mol.Biol., 303, 2000
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