7OI8
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![BU of 7oi8 by Molmil](/molmil-images/mine/7oi8) | Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 3A | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | Authors: | Cheng, J, Berninghausen, O, Beckmann, R. | Deposit date: | 2021-05-11 | Release date: | 2021-09-15 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A distinct assembly pathway of the human 39S late pre-mitoribosome. Nat Commun, 12, 2021
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7OID
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![BU of 7oid by Molmil](/molmil-images/mine/7oid) | Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 5A | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | Authors: | Cheng, J, Berninghausen, O, Beckmann, R. | Deposit date: | 2021-05-11 | Release date: | 2021-09-15 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A distinct assembly pathway of the human 39S late pre-mitoribosome. Nat Commun, 12, 2021
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6AFF
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![BU of 6aff by Molmil](/molmil-images/mine/6aff) | DJ-1 with compound 8 | Descriptor: | CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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2C3K
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![BU of 2c3k by Molmil](/molmil-images/mine/2c3k) | Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification | Descriptor: | 4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Foloppe, N, Fisher, L.M, Francis, G, Howes, R, Kierstan, P, Potter, A. | Deposit date: | 2005-10-10 | Release date: | 2005-11-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of a Buried Pocket for Potent and Selective Inhibition of Chk1: Prediction and Verification. Bioorg.Med.Chem., 14, 2006
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5YLZ
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![BU of 5ylz by Molmil](/molmil-images/mine/5ylz) | Cryo-EM Structure of the Post-catalytic Spliceosome from Saccharomyces cerevisiae at 3.6 angstrom | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wan, R, Yan, C, Bai, R, Lei, J, Shi, Y. | Deposit date: | 2017-10-20 | Release date: | 2018-07-18 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of the Post-catalytic Spliceosome from Saccharomyces cerevisiae Cell, 171, 2017
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7NR3
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![BU of 7nr3 by Molmil](/molmil-images/mine/7nr3) | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | Descriptor: | 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M. | Deposit date: | 2021-03-02 | Release date: | 2021-10-06 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021
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7NQQ
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7NR9
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7NR5
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![BU of 7nr5 by Molmil](/molmil-images/mine/7nr5) | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | Descriptor: | (2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Method: | X-RAY DIFFRACTION (1.766 Å) | Cite: | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021
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1S63
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![BU of 1s63 by Molmil](/molmil-images/mine/1s63) | Human protein farnesyltransferase complexed with L-778,123 and FPP | Descriptor: | 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE, FARNESYL DIPHOSPHATE, Protein farnesyltransferase beta subunit, ... | Authors: | Long, S.B, Casey, P.J, Beese, L.S. | Deposit date: | 2004-01-22 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic Analysis Reveals that Anticancer Clinical Candidate L-778,123 Inhibits Protein Farnesyltransferase and Geranylgeranyltransferase-I by Different Binding Modes. Biochemistry, 43, 2004
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1BHL
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![BU of 1bhl by Molmil](/molmil-images/mine/1bhl) | CACODYLATED CATALYTIC DOMAIN OF HIV-1 INTEGRASE | Descriptor: | HIV-1 INTEGRASE | Authors: | Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V. | Deposit date: | 1998-06-10 | Release date: | 1998-10-14 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases. J.Mol.Biol., 282, 1998
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7NR8
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![BU of 7nr8 by Molmil](/molmil-images/mine/7nr8) | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | Descriptor: | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | O'Reilly, M, Cleasby, A. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Method: | X-RAY DIFFRACTION (1.627 Å) | Cite: | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021
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6AFJ
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![BU of 6afj by Molmil](/molmil-images/mine/6afj) | DJ-1 with compound 13 | Descriptor: | CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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7NQW
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![BU of 7nqw by Molmil](/molmil-images/mine/7nqw) | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | Descriptor: | 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{H}-isoindol-1-one, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | Authors: | O'Reilly, M. | Deposit date: | 2021-03-02 | Release date: | 2021-10-06 | Method: | X-RAY DIFFRACTION (1.775 Å) | Cite: | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021
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5WI1
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5WKT
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![BU of 5wkt by Molmil](/molmil-images/mine/5wkt) | 3.2-Angstrom In situ Mylar structure of bovine opsin at 100 K | Descriptor: | Rhodopsin, SULFATE ION, Transducin Galpha peptide, ... | Authors: | Broecker, J, Morizumi, T, Ou, W.-L, Ernst, O.P. | Deposit date: | 2017-07-25 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions. Nat Protoc, 13, 2018
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5KR2
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![BU of 5kr2 by Molmil](/molmil-images/mine/5kr2) | Protease PR5-SQV | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease PR5-SQV | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | Deposit date: | 2016-07-06 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution. J.Biol.Chem., 291, 2016
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5LAK
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![BU of 5lak by Molmil](/molmil-images/mine/5lak) | Ligand-bound structure of Cavally Virus 3CL Protease | Descriptor: | 3Cl Protease, BEZ-TYR-TYR-ASN-ECC Peptide inhibitor, PENTAETHYLENE GLYCOL, ... | Authors: | Kanitz, M, Heine, A, Diederich, W.E. | Deposit date: | 2016-06-14 | Release date: | 2017-07-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Structural basis for catalysis and substrate specificity of a 3C-like cysteine protease from a mosquito mesonivirus. Virology, 533, 2019
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7OJ7
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1AQQ
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![BU of 1aqq by Molmil](/molmil-images/mine/1aqq) | AG-SUBSTITUTED METALLOTHIONEIN FROM SACCHAROMYCES CEREVISIAE, NMR, 10 STRUCTURES | Descriptor: | AG-METALLOTHIONEIN, SILVER ION | Authors: | Peterson, C.W, Narula, S.S, Armitage, I.M. | Deposit date: | 1997-07-31 | Release date: | 1997-12-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | 3D solution structure of copper and silver-substituted yeast metallothioneins. FEBS Lett., 379, 1996
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5W8S
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![BU of 5w8s by Molmil](/molmil-images/mine/5w8s) | Lipid A Disaccharide Synthase (LpxB)-7 solubilizing mutations | Descriptor: | LITHIUM ION, Lipid-A-disaccharide synthase, SODIUM ION | Authors: | Bohl, T.E, Aihara, H, Shi, K, Lee, J.K. | Deposit date: | 2017-06-22 | Release date: | 2018-01-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of lipid A disaccharide synthase LpxB from Escherichia coli. Nat Commun, 9, 2018
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5WE4
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![BU of 5we4 by Molmil](/molmil-images/mine/5we4) | 70S ribosome-EF-Tu wt complex with GppNHp | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Fislage, M, Brown, Z, Frank, J. | Deposit date: | 2017-07-07 | Release date: | 2018-04-25 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A. Nucleic Acids Res., 46, 2018
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7O8G
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![BU of 7o8g by Molmil](/molmil-images/mine/7o8g) | NmHR light state structure at 10 ps after photoexcitation determined by serial femtosecond crystallography (with extrapolated, dark and light dataset) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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5KR0
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![BU of 5kr0 by Molmil](/molmil-images/mine/5kr0) | Protease E35D-APV | Descriptor: | GLYCEROL, Protease E35D-APV, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | Deposit date: | 2016-07-06 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution. J.Biol.Chem., 291, 2016
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7O8J
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![BU of 7o8j by Molmil](/molmil-images/mine/7o8j) | NmHR light state structure at 20 us after photoexcitation determined by serial femtosecond crystallography (with extrapolated, dark and light dataset) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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