4V24
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![BU of 4v24 by Molmil](/molmil-images/mine/4v24) | Sphingosine kinase 1 in complex with PF-543 | 分子名称: | ACETATE ION, SPHINGOSINE KINASE 1, {(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL | 著者 | Elkins, J.M, Wang, J, Sorrell, F, Tallant, C, Wang, D, Shrestha, L, Bountra, C, von Delft, F, Knapp, S, Edwards, A. | 登録日 | 2014-10-05 | 公開日 | 2014-10-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of Sphingosine Kinase 1 with Pf-543. Acs Med.Chem.Lett., 5, 2014
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7TEH
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![BU of 7teh by Molmil](/molmil-images/mine/7teh) | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2022-01-05 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TFR
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![BU of 7tfr by Molmil](/molmil-images/mine/7tfr) | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with NBH-2 | 分子名称: | (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2022-01-07 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TDU
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![BU of 7tdu by Molmil](/molmil-images/mine/7tdu) | Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2022-01-03 | 公開日 | 2022-03-02 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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1T7Y
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![BU of 1t7y by Molmil](/molmil-images/mine/1t7y) | Zn-alpha-2-glycoprotein; baculo-ZAG PEG 200, no glycerol | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zinc-alpha-2-glycoprotein | 著者 | Delker, S.L, West Jr, A.P, McDermott, L, Kennedy, M.W, Bjorkman, P.J. | 登録日 | 2004-05-11 | 公開日 | 2004-12-21 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystallographic studies of ligand binding by Zn-alpha2-glycoprotein. J.Struct.Biol., 148, 2004
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6VJ4
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![BU of 6vj4 by Molmil](/molmil-images/mine/6vj4) | 1.70 Angstrom Resolution Crystal Structure of Peptidylprolyl Isomerase (PrsA) from Bacillus anthracis | 分子名称: | Peptidylprolyl isomerase PrsA | 著者 | Minasov, G, Shuvalova, L, Kiryukhina, O, Wiersum, G, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-01-14 | 公開日 | 2020-02-05 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 1.70 Angstrom Resolution Crystal Structure of Peptidylprolyl Isomerase (PrsA) from Bacillus anthracis To Be Published
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1SRS
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![BU of 1srs by Molmil](/molmil-images/mine/1srs) | |
4I3L
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![BU of 4i3l by Molmil](/molmil-images/mine/4i3l) | Crystal structure of a metabolic reductase with 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one | 分子名称: | 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | 登録日 | 2012-11-26 | 公開日 | 2013-05-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.292 Å) | 主引用文献 | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase. ACS Med Chem Lett, 4, 2013
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2I30
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![BU of 2i30 by Molmil](/molmil-images/mine/2i30) | Human serum albumin complexed with myristate and salicylic acid | 分子名称: | 2-HYDROXYBENZOIC ACID, MYRISTIC ACID, Serum albumin | 著者 | Yang, F, Bian, C, Zhu, L, Zhao, G, Huang, Z, Huang, M. | 登録日 | 2006-08-17 | 公開日 | 2006-12-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Effect of human serum albumin on drug metabolism: Structural evidence of esterase activity of human serum albumin J.Struct.Biol., 157, 2007
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6VIJ
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4I9U
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![BU of 4i9u by Molmil](/molmil-images/mine/4i9u) | Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256 | 分子名称: | 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | 著者 | Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | 登録日 | 2012-12-05 | 公開日 | 2013-01-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4IAS
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![BU of 4ias by Molmil](/molmil-images/mine/4ias) | |
2I7V
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![BU of 2i7v by Molmil](/molmil-images/mine/2i7v) | Structure of Human CPSF-73 | 分子名称: | Cleavage and polyadenylation specificity factor 73 kDa subunit, SULFATE ION, ZINC ION | 著者 | Mandel, C.R, Zhang, H, Tong, L. | 登録日 | 2006-08-31 | 公開日 | 2007-01-30 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Polyadenylation factor CPSF-73 is the pre-mRNA 3'-end-processing endonuclease. Nature, 444, 2006
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4IAT
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![BU of 4iat by Molmil](/molmil-images/mine/4iat) | |
4I2Z
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4I48
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![BU of 4i48 by Molmil](/molmil-images/mine/4i48) | Structure of HLA-A68 complexed with an HIV Env derived peptide | 分子名称: | 9-mer peptide from Envelope glycoprotein gp160, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | 著者 | Niu, L, Cheng, H, Zhang, S, Tan, S, Zhang, Y, Qi, J, Liu, J, Gao, G.F. | 登録日 | 2012-11-27 | 公開日 | 2013-10-02 | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | 主引用文献 | Structural basis for the differential classification of HLA-A*6802 and HLA-A*6801 into the A2 and A3 supertypes Mol.Immunol., 55, 2013
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2I1W
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![BU of 2i1w by Molmil](/molmil-images/mine/2i1w) | Crystal structure of NAD kinase 1 from Listeria monocytogenes | 分子名称: | IODIDE ION, Probable inorganic polyphosphate/ATP-NAD kinase 1 | 著者 | Poncet-Montange, G, Assairi, L, Arold, S, Pochet, S, Labesse, G. | 登録日 | 2006-08-15 | 公開日 | 2007-08-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | NAD kinases use substrate-assisted catalysis for specific recognition of NAD. J.Biol.Chem., 282, 2007
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4I6I
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2I5G
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![BU of 2i5g by Molmil](/molmil-images/mine/2i5g) | Crystal strcuture of amidohydrolase from Pseudomonas aeruginosa | 分子名称: | amidohydrolase | 著者 | Min, T, Sauder, J.M, Wasserman, S.R, Smith, D, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2006-08-24 | 公開日 | 2006-09-05 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of amidohydrolase from Pseudomonas aeruginosa To be Published
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4IDW
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![BU of 4idw by Molmil](/molmil-images/mine/4idw) | Polycrystalline T6 Bovine Insulin: Anisotropic Lattice Evolution and Novel Structure Refinement Strategy | 分子名称: | Insulin A chain, Insulin B chain, ZINC ION | 著者 | Margiolaki, I, Giannopoulou, A.E, Wright, J.P, Knight, L, Norrman, M, Schluckebier, G, Fitch, A, Von Dreele, R.B. | 登録日 | 2012-12-13 | 公開日 | 2013-06-05 | 実験手法 | POWDER DIFFRACTION | 主引用文献 | High-resolution powder X-ray data reveal the T6 hexameric form of bovine insulin Acta Crystallogr.,Sect.D, 69, 2013
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2I7X
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2I89
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![BU of 2i89 by Molmil](/molmil-images/mine/2i89) | Structure of septuple mutant of Rat Outer Mitochondrial Membrane Cytochrome B5 | 分子名称: | Cytochrome b5 type B, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Terzyan, S, Zhang, X.C, Benson, D.R, Wang, L, Sun, N. | 登録日 | 2006-09-01 | 公開日 | 2006-10-31 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A histidine/tryptophan pi-stacking interaction stabilizes the heme-independent folding core of microsomal apocytochrome b5 relative to that of mitochondrial apocytochrome b5. Biochemistry, 45, 2006
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6W1V
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![BU of 6w1v by Molmil](/molmil-images/mine/6w1v) | RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 Angstrom resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | 登録日 | 2020-03-04 | 公開日 | 2020-06-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism. Proc.Natl.Acad.Sci.USA, 117, 2020
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4IIW
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![BU of 4iiw by Molmil](/molmil-images/mine/4iiw) | 2.6 Angstrom Crystal Structure of Putative yceG-like Protein lmo1499 from Listeria monocytogenes | 分子名称: | CHLORIDE ION, Lmo1499 protein, SULFATE ION, ... | 著者 | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2012-12-20 | 公開日 | 2013-01-16 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | 2.6 Angstrom Crystal Structure of Putative yceG-like Protein lmo1499 from Listeria monocytogenes TO BE PUBLISHED
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1SWX
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![BU of 1swx by Molmil](/molmil-images/mine/1swx) | Crystal structure of a human glycolipid transfer protein in apo-form | 分子名称: | Glycolipid transfer protein, HEXANE | 著者 | Malinina, L, Malakhova, M.L, Teplov, A, Brown, R.E, Patel, D.J. | 登録日 | 2004-03-30 | 公開日 | 2004-08-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural basis for glycosphingolipid transfer specificity. Nature, 430, 2004
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