6CMO
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![BU of 6cmo by Molmil](/molmil-images/mine/6cmo) | Rhodopsin-Gi complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab light chain, ... | Authors: | Kang, Y, Kuybeda, O, de Waal, P.W, Mukherjee, S, Van Eps, N, Dutka, P, Zhou, X.E, Bartesaghi, A, Erramilli, S, Morizumi, T, Gu, X, Yin, Y, Liu, P, Jiang, Y, Meng, X, Zhao, G, Melcher, K, Earnst, O.P, Kossiakoff, A.A, Subramaniam, S, Xu, H.E. | Deposit date: | 2018-03-05 | Release date: | 2018-06-20 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-EM structure of human rhodopsin bound to an inhibitory G protein. Nature, 558, 2018
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5VRA
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![BU of 5vra by Molmil](/molmil-images/mine/5vra) | 2.35-Angstrom In situ Mylar structure of human A2A adenosine receptor at 100 K | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Broecker, J, Morizumi, T, Ou, W.-L, Klingel, V, Kuo, A, Kissick, D.J, Ishchenko, A, Lee, M.-Y, Xu, S, Makarov, O, Cherezov, V, Ogata, C.M, Ernst, O.P. | Deposit date: | 2017-05-10 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 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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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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4J4Q
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![BU of 4j4q by Molmil](/molmil-images/mine/4j4q) | Crystal structure of active conformation of GPCR opsin stabilized by octylglucoside | Descriptor: | ACETATE ION, Guanine nucleotide-binding protein G(t) subunit alpha-1, PALMITIC ACID, ... | Authors: | Park, J.H, Morizumi, T, Li, Y, Hong, J.E, Pai, E.F, Hofmann, K.P, Choe, H.W, Ernst, O.P. | Deposit date: | 2013-02-07 | Release date: | 2013-10-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Opsin, a structural model for olfactory receptors? Angew.Chem.Int.Ed.Engl., 52, 2013
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8X6R
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![BU of 8x6r by Molmil](/molmil-images/mine/8x6r) | KRasG12C in complex with inhibitor | Descriptor: | 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2023-11-21 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors. Bioorg.Med.Chem., 98, 2023
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7YCE
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![BU of 7yce by Molmil](/molmil-images/mine/7yce) | KRas G12C in complex with Compound 7b | Descriptor: | 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Amano, Y. | Deposit date: | 2022-07-01 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
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7YCC
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![BU of 7ycc by Molmil](/molmil-images/mine/7ycc) | KRas G12C in complex with Compound 5c | Descriptor: | 1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Amano, Y. | Deposit date: | 2022-07-01 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
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4HNO
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![BU of 4hno by Molmil](/molmil-images/mine/4hno) | High resolution crystal structure of DNA Apurinic/apyrimidinic (AP) endonuclease IV Nfo from Thermatoga maritima | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... | Authors: | Shin, D.S, Hosfield, D.J, Arvai, A.S, Tsutakawa, S.E, Tainer, J.A. | Deposit date: | 2012-10-20 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.9194 Å) | Cite: | Conserved Structural Chemistry for Incision Activity in Structurally Non-homologous Apurinic/Apyrimidinic Endonuclease APE1 and Endonuclease IV DNA Repair Enzymes. J.Biol.Chem., 288, 2013
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3BC1
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![BU of 3bc1 by Molmil](/molmil-images/mine/3bc1) | Crystal Structure of the complex Rab27a-Slp2a | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-27A, ... | Authors: | Chavas, L.M.G, Ihara, K, Kawasaki, M, Wakatsuki, S. | Deposit date: | 2007-11-12 | Release date: | 2008-09-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Elucidation of Rab27 recruitment by its effectors: structure of Rab27a bound to Exophilin4/Slp2-a Structure, 16, 2008
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4IEM
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![BU of 4iem by Molmil](/molmil-images/mine/4iem) | Human apurinic/apyrimidinic endonuclease (APE1) with product DNA and Mg2+ | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*C)-3'), DNA (5'-D(P*(3DR)P*GP*AP*TP*CP*G)-3'), ... | Authors: | Tsutakawa, S.E, Mol, C.D, Arvai, A.S, Tainer, J.A. | Deposit date: | 2012-12-13 | Release date: | 2013-01-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3936 Å) | Cite: | Conserved Structural Chemistry for Incision Activity in Structurally Non-homologous Apurinic/Apyrimidinic Endonuclease APE1 and Endonuclease IV DNA Repair Enzymes. J.Biol.Chem., 288, 2013
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1EHL
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![BU of 1ehl by Molmil](/molmil-images/mine/1ehl) | 64M-2 ANTIBODY FAB COMPLEXED WITH D(5HT)(6-4)T | Descriptor: | 5'-(D(5HT)P*(6-4)T)-3', ANTI-(6-4) PHOTOPRODUCT ANTIBODY 64M-2 FAB (HEAVY CHAIN), ANTI-(6-4) PHOTOPRODUCT ANTIBODY 64M-2 FAB (LIGHT CHAIN) | Authors: | Yokoyama, H, Mizutani, R, Satow, Y, Komatsu, Y, Ohtsuka, E, Nikaido, O. | Deposit date: | 2000-02-21 | Release date: | 2001-02-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the 64M-2 antibody Fab fragment in complex with a DNA dT(6-4)T photoproduct formed by ultraviolet radiation. J.Mol.Biol., 299, 2000
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6IQE
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![BU of 6iqe by Molmil](/molmil-images/mine/6iqe) | Human prohibitin 2 | Descriptor: | Prohibitin-2 | Authors: | Hirano, Y, Koshiba, T, Tamada, T. | Deposit date: | 2018-11-07 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Structural Basis of Mitochondrial Scaffolds by Prohibitin Complexes: Insight into a Role of the Coiled-Coil Region. Iscience, 19, 2019
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7U55
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![BU of 7u55 by Molmil](/molmil-images/mine/7u55) | Crystal structure of Thermoplasmatales archaeon heliorhodopsin at pH 4.5 | Descriptor: | CHLORIDE ION, DODECANE, Heliorhodopsin, ... | Authors: | Besaw, J.E, De Guzman, P, Miller, R.J.D, Ernst, O.P. | Deposit date: | 2022-03-01 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Low pH structure of heliorhodopsin reveals chloride binding site and intramolecular signaling pathway. Sci Rep, 12, 2022
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6WLE
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![BU of 6wle by Molmil](/molmil-images/mine/6wle) | Crystal structure of the Zeitlupe light-state mimic G46A | Descriptor: | 1,2-ETHANEDIOL, Adagio protein 1, FLAVIN MONONUCLEOTIDE | Authors: | Zoltowski, B, Green, R. | Deposit date: | 2020-04-20 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Steric and Electronic Interactions at Gln154 in ZEITLUPE Induce Reorganization of the LOV Domain Dimer Interface. Biochemistry, 60, 2021
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6WLP
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![BU of 6wlp by Molmil](/molmil-images/mine/6wlp) | Crystal Structure of the ZTL light-state mimic G46S | Descriptor: | 1,2-ETHANEDIOL, Adagio protein 1, FLAVIN MONONUCLEOTIDE | Authors: | Zoltowski, B, Green, R. | Deposit date: | 2020-04-20 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Steric and Electronic Interactions at Gln154 in ZEITLUPE Induce Reorganization of the LOV Domain Dimer Interface. Biochemistry, 60, 2021
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6OFJ
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3CU0
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![BU of 3cu0 by Molmil](/molmil-images/mine/3cu0) | human beta 1,3-glucuronyltransferase I (GlcAT-I) in complex with UDP and GAL-GAL(6-SO4)-XYL(2-PO4)-O-SER | Descriptor: | Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 3, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Tone, Y, Pedersen, L.C, Yamamoto, T, Kitagawa, H, Nishihara-Shimizu, J, Tamura, J, Negishi, M, Sugahara, K. | Deposit date: | 2008-04-15 | Release date: | 2008-05-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 2-o-phosphorylation of xylose and 6-o-sulfation of galactose in the protein linkage region of glycosaminoglycans influence the glucuronyltransferase-I activity involved in the linkage region synthesis. J.Biol.Chem., 283, 2008
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3A8W
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![BU of 3a8w by Molmil](/molmil-images/mine/3a8w) | Crystal Structure of PKCiota kinase domain | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Protein kinase C iota type, SULFATE ION | Authors: | Takimura, T, Kamata, K. | Deposit date: | 2009-10-11 | Release date: | 2010-05-05 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of the PKC-iota kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533-551 in the C-terminal tail and their roles in ATP binding Acta Crystallogr.,Sect.D, 66, 2010
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5WJK
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![BU of 5wjk by Molmil](/molmil-images/mine/5wjk) | 2.0-Angstrom In situ Mylar structure of sperm whale myoglobin (SWMb) at 293 K | Descriptor: | CHLORIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Broecker, J, Ou, W.-L, Ernst, O.P. | Deposit date: | 2017-07-23 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (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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3A8X
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![BU of 3a8x by Molmil](/molmil-images/mine/3a8x) | Crystal Structure of PKCiota kinase domain | Descriptor: | Protein kinase C iota type, SULFATE ION | Authors: | Takimura, T, Kamata, K. | Deposit date: | 2009-10-11 | Release date: | 2010-05-05 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the PKC-iota kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533-551 in the C-terminal tail and their roles in ATP binding Acta Crystallogr.,Sect.D, 66, 2010
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7A43
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![BU of 7a43 by Molmil](/molmil-images/mine/7a43) | |
7A42
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7A45
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![BU of 7a45 by Molmil](/molmil-images/mine/7a45) | CO-bound sperm whale myoglobin measured by serial femtosecond crystallography | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Mehrabi, P, Schulz, E.C, Buecker, R. | Deposit date: | 2020-08-19 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison. Sci Adv, 7, 2021
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7A44
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![BU of 7a44 by Molmil](/molmil-images/mine/7a44) | CO-bound sperm whale myoglobin measured by serial synchrotron crystallography | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Mehrabi, P, Schulz, E.C, Buecker, R. | Deposit date: | 2020-08-19 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison. Sci Adv, 7, 2021
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5SVV
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![BU of 5svv by Molmil](/molmil-images/mine/5svv) | |