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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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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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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1OZ8
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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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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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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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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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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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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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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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7A43
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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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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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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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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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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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5SVW
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![BU of 5svw by Molmil](/molmil-images/mine/5svw) | |