4WTL
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![BU of 4wtl by Molmil](/molmil-images/mine/4wtl) | CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-UACC, RNA PRIMER 5'-PGG, MN2+, AND UDP | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Edwards, T.E, Appleby, T.C. | Deposit date: | 2014-10-30 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for RNA replication by the hepatitis C virus polymerase. Science, 347, 2015
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7STS
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![BU of 7sts by Molmil](/molmil-images/mine/7sts) | Crystal Structure of Human Fab S24-1379 in the Complex with the N-teminal Domain of Nucleocapsid Protein from SARS CoV-2 | Descriptor: | Fab S24-1379, heavy chain, light chain, ... | Authors: | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-11-15 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies. Iscience, 27, 2024
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7SUE
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![BU of 7sue by Molmil](/molmil-images/mine/7sue) | Crystal Structure of Human Fab S24-188 in the complex with the N-teminal Domain of Nucleocapsid protein from SARS CoV-2 | Descriptor: | Nucleoprotein, S24-188 Fab Heavy chain, S24-188 Fab Light chain | Authors: | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-11-17 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies. Iscience, 27, 2024
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7STR
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![BU of 7str by Molmil](/molmil-images/mine/7str) | Crystal Structure of Human Fab S24-1063 in the Complex with the N-teminal Domain of Nucleocapsid Protein from SARS CoV-2 | Descriptor: | 1,2-ETHANEDIOL, Fab S24-1063, Heavy chain, ... | Authors: | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-11-15 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies. Iscience, 27, 2024
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4YL0
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![BU of 4yl0 by Molmil](/molmil-images/mine/4yl0) | Crystal Structures of mPGES-1 Inhibitor Complexes | Descriptor: | 2-(9-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | Authors: | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | Deposit date: | 2015-03-04 | Release date: | 2015-06-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem., 58, 2015
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4YL3
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![BU of 4yl3 by Molmil](/molmil-images/mine/4yl3) | Crystal Structures of mPGES-1 Inhibitor Complexes | Descriptor: | 5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine, GLUTATHIONE, Prostaglandin E synthase, ... | Authors: | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | Deposit date: | 2015-03-04 | Release date: | 2015-07-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem., 58, 2015
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4WZ6
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![BU of 4wz6 by Molmil](/molmil-images/mine/4wz6) | Human CFTR aa389-678 (NBD1), deltaF508 with three solubilizing mutations, bound ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Byrnes, L.J, Hall, J. | Deposit date: | 2014-11-18 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Binding screen for cystic fibrosis transmembrane conductance regulator correctors finds new chemical matter and yields insights into cystic fibrosis therapeutic strategy. Protein Sci., 25, 2016
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5AGT
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![BU of 5agt by Molmil](/molmil-images/mine/5agt) | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | Descriptor: | 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ... | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | Deposit date: | 2015-02-03 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5WBS
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![BU of 5wbs by Molmil](/molmil-images/mine/5wbs) | Crystal structure of Frizzled-7 CRD with an inhibitor peptide Fz7-21 | Descriptor: | Frizzled-7,inhibitor peptide Fz7-21 | Authors: | Nile, A.H, Mukund, S, Hannoush, R.N, Wang, W. | Deposit date: | 2017-06-29 | Release date: | 2018-04-18 | Last modified: | 2018-05-30 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells. Nat. Chem. Biol., 14, 2018
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1TBL
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![BU of 1tbl by Molmil](/molmil-images/mine/1tbl) | H141N mutant of rat liver arginase I | Descriptor: | Arginase 1, MANGANESE (II) ION | Authors: | Cama, E, Cox, J.D, Ash, D.E, Christianson, D.W. | Deposit date: | 2004-05-20 | Release date: | 2005-08-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Probing the role of the hyper-reactive histidine residue of arginase. Arch.Biochem.Biophys., 444, 2005
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8TQD
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![BU of 8tqd by Molmil](/molmil-images/mine/8tqd) | NF-Kappa-B1 Bound with a Covalent Inhibitor | Descriptor: | 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit | Authors: | Hilbert, B.J. | Deposit date: | 2023-08-07 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Cell, 187, 2024
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5AGS
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![BU of 5ags by Molmil](/molmil-images/mine/5ags) | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | Descriptor: | 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | Deposit date: | 2015-02-03 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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4YK5
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![BU of 4yk5 by Molmil](/molmil-images/mine/4yk5) | Crystal Structures of mPGES-1 Inhibitor Complexes | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid, GLUTATHIONE, ... | Authors: | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | Deposit date: | 2015-03-04 | Release date: | 2015-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem., 58, 2015
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4YL1
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![BU of 4yl1 by Molmil](/molmil-images/mine/4yl1) | Crystal Structures of mPGES-1 Inhibitor Complexes | Descriptor: | 5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | Authors: | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | Deposit date: | 2015-03-04 | Release date: | 2015-06-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem., 58, 2015
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5AGR
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![BU of 5agr by Molmil](/molmil-images/mine/5agr) | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | Descriptor: | 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ... | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | Deposit date: | 2015-02-03 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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1TA1
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![BU of 1ta1 by Molmil](/molmil-images/mine/1ta1) | H141C mutant of rat liver arginase I | Descriptor: | Arginase 1, GLYCEROL, MANGANESE (II) ION | Authors: | Cama, E, Cox, J.D, Ash, D.E, Christianson, D.W. | Deposit date: | 2004-05-19 | Release date: | 2005-08-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Probing the role of the hyper-reactive histidine residue of arginase. Arch.Biochem.Biophys., 444, 2005
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1TBH
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![BU of 1tbh by Molmil](/molmil-images/mine/1tbh) | H141D mutant of rat liver arginase I | Descriptor: | Arginase 1, MANGANESE (II) ION | Authors: | Cama, E, Cox, J.D, Ash, D.E, Christianson, D.W. | Deposit date: | 2004-05-20 | Release date: | 2005-08-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Probing the role of the hyper-reactive histidine residue of arginase. Arch.Biochem.Biophys., 444, 2005
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1TBJ
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![BU of 1tbj by Molmil](/molmil-images/mine/1tbj) | H141A mutant of rat liver arginase I | Descriptor: | Arginase 1, GLYCEROL, MANGANESE (II) ION | Authors: | Cama, E, Cox, J.D, Ash, D.E, Christianson, D.W. | Deposit date: | 2004-05-20 | Release date: | 2005-08-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Probing the role of the hyper-reactive histidine residue of arginase. Arch.Biochem.Biophys., 444, 2005
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8FY7
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![BU of 8fy7 by Molmil](/molmil-images/mine/8fy7) | SARS-CoV-2 main protease in complex with covalent inhibitor | Descriptor: | 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | Authors: | Fried, W, Chen, X.S. | Deposit date: | 2023-01-25 | Release date: | 2023-08-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
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8FY6
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![BU of 8fy6 by Molmil](/molmil-images/mine/8fy6) | SARS-CoV-2 main protease in complex with covalent inhibitor | Descriptor: | (1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-N-{(2R)-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Fried, W, Chen, X.S. | Deposit date: | 2023-01-25 | Release date: | 2023-08-30 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
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2R0B
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![BU of 2r0b by Molmil](/molmil-images/mine/2r0b) | Crystal structure of human tyrosine phosphatase-like serine/threonine/tyrosine-interacting protein | Descriptor: | GLYCEROL, SULFATE ION, Serine/threonine/tyrosine-interacting protein | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Iizuka, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-08-18 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural genomics of protein phosphatases. J.Struct.Funct.Genom., 8, 2007
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7OBQ
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![BU of 7obq by Molmil](/molmil-images/mine/7obq) | SRP-SR at the distal site conformation | Descriptor: | EM14S01-3B_G0054400.mRNA.1.CDS.1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Jomaa, A, Ban, N. | Deposit date: | 2021-04-23 | Release date: | 2021-07-21 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Molecular mechanism of cargo recognition and handover by the mammalian signal recognition particle. Cell Rep, 36, 2021
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7OBR
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![BU of 7obr by Molmil](/molmil-images/mine/7obr) | RNC-SRP early complex | Descriptor: | 28S rRNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Jomaa, A, Ban, N. | Deposit date: | 2021-04-23 | Release date: | 2021-07-21 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Molecular mechanism of cargo recognition and handover by the mammalian signal recognition particle. Cell Rep, 36, 2021
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6VBP
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![BU of 6vbp by Molmil](/molmil-images/mine/6vbp) | |
6VBQ
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![BU of 6vbq by Molmil](/molmil-images/mine/6vbq) | |