4NI3
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![BU of 4ni3 by Molmil](/molmil-images/mine/4ni3) | Crystal Structure of GH29 family alpha-L-fucosidase from Fusarium graminearum in the closed form | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-fucosidase GH29, ... | 著者 | Cao, H, Walton, J.D, Brumm, P, Phillips Jr, G.N. | 登録日 | 2013-11-05 | 公開日 | 2013-12-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.3993 Å) | 主引用文献 | Structure and Substrate Specificity of a Eukaryotic Fucosidase from Fusarium graminearum. J.Biol.Chem., 289, 2014
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1FW8
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![BU of 1fw8 by Molmil](/molmil-images/mine/1fw8) | CIRCULARLY PERMUTED PHOSPHOGLYCERATE KINASE FROM YEAST: PGK P72 | 分子名称: | GLYCEROL, Phosphoglycerate kinase | 著者 | Tougard, P, Bizebard, T, Ritco-Vonsovici, M, Minard, P, Desmadril, M. | 登録日 | 2000-09-22 | 公開日 | 2001-03-22 | 最終更新日 | 2017-06-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of a circularly permuted phosphoglycerate kinase. Acta Crystallogr.,Sect.D, 58, 2002
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3QJZ
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![BU of 3qjz by Molmil](/molmil-images/mine/3qjz) | Crystal structure of PI3K-gamma in complex with benzothiazole 1 | 分子名称: | N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2011-01-31 | 公開日 | 2011-03-30 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors. J.Med.Chem., 54, 2011
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4TRI
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4J6I
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![BU of 4j6i by Molmil](/molmil-images/mine/4j6i) | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform | 分子名称: | 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Murray, J.M, Rouge, L, Wu, P. | 登録日 | 2013-02-11 | 公開日 | 2013-08-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform. Bioorg.Med.Chem.Lett., 23, 2013
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2CL5
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![BU of 2cl5 by Molmil](/molmil-images/mine/2cl5) | Catechol-O-methyltransferase in complex with an inhibitor | 分子名称: | (3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE, (R,R)-2,3-BUTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Palma, P.N, Rodrigues, M.L, Archer, M, Bonifacio, M.J, Loureiro, A.I, Learmonth, D.A, Carrondo, M.A, Soares-Da-Silva, P. | 登録日 | 2006-04-26 | 公開日 | 2006-06-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Comparative Study of Ortho- and Meta-Nitrated Inhibitors of Catechol-O-Methyltransferase: Interactions with the Active Site and Regioselectivity of O-Methylation. Mol.Pharmacol., 70, 2006
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4TU0
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![BU of 4tu0 by Molmil](/molmil-images/mine/4tu0) | CRYSTAL STRUCTURE OF CHIKUNGUNYA VIRUS NSP3 MACRO DOMAIN IN COMPLEX WITH A 2'-5' OLIGOADENYLATE TRIMER | 分子名称: | 2'-5' OLIGOADENYLATE TRIMER, DI(HYDROXYETHYL)ETHER, Non-structural polyprotein 3 | 著者 | Morin, B, Ferron, f.p, Malet, h, Coutard, b, Canard, b. | 登録日 | 2014-06-23 | 公開日 | 2014-07-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | CRYSTAL STRUCTURE OF CHIKUNGUNYA VIRUS NSP3 MACRO DOMAIN IN COMPLEX WITH A 2'-5' OLIGOADENYLATE TRIMER TO BE PUBLISHED
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3KSL
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![BU of 3ksl by Molmil](/molmil-images/mine/3ksl) | Structure of FPT bound to DATFP-DH-GPP | 分子名称: | (2S,6E)-8-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2S)-3,3,3-trifluoro-2-hydrazinopropanoate, Farnesyltransferase, CAAX box, ... | 著者 | Hovlid, M.L, Edelstein, R.L, Henry, O, Ochocki, J, DeGraw, A, Lenevich, S, Talbot, T, Young, V, Hruza, A.W, Lopez-Gallego, F, Labello, N.P, Strickland, C.L, Schmidt-Dannert, C, Distefano, M.D. | 登録日 | 2009-11-23 | 公開日 | 2009-12-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Synthesis, properties, and applications of diazotrifluropropanoyl-containing photoactive analogs of farnesyl diphosphate containing modified linkages for enhanced stability. Chem.Biol.Drug Des., 75, 2010
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3KU2
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![BU of 3ku2 by Molmil](/molmil-images/mine/3ku2) | Crystal Structure of inactivated form of CDPK1 from toxoplasma gondii, TGME49.101440 | 分子名称: | Calmodulin-domain protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UNKNOWN ATOM OR ION | 著者 | Wernimont, A.K, Artz, J.D, Finnerty, P, Xiao, T, He, H, Mackenzie, F, Sinestera, G, Hassani, A.A, Wasney, G, Vedadi, M, Lourido, S, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Sibley, D.L, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | 登録日 | 2009-11-26 | 公開日 | 2010-02-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium. Nat.Struct.Mol.Biol., 17, 2010
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1LE9
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![BU of 1le9 by Molmil](/molmil-images/mine/1le9) | Crystal structure of a NF-kB heterodimer bound to the Ig/HIV-kB siti | 分子名称: | 5'-D(*AP*AP*GP*GP*AP*AP*AP*GP*TP*CP*CP*C)-3', 5'-D(*TP*GP*GP*GP*AP*CP*TP*TP*TP*CP*CP*T)-3', NUCLEAR FACTOR NF-KAPPA-B P50 SUBUNIT, ... | 著者 | Benjamin, B, Huang, D.B, Chen-Park, F.E, Sigler, P.B, Ghosh, G. | 登録日 | 2002-04-09 | 公開日 | 2003-04-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The x-ray crystal structure of the NF-kappa B p50.p65 heterodimer bound to the interferon beta -kappa B site. J.Biol.Chem., 277, 2002
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2OW4
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![BU of 2ow4 by Molmil](/molmil-images/mine/2ow4) | Crystal structure of a lectin from Canavalia maritima seeds (ConM) in complex with man1-2man-OMe | 分子名称: | CALCIUM ION, Canavalia maritima lectin, MANGANESE (II) ION, ... | 著者 | Moreno, F.B.M.B, Bezerra, G.A, de Oliveira, T.M, de Souza, E.M, da Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W.F. | 登録日 | 2007-02-15 | 公開日 | 2007-10-23 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins. J.Struct.Biol., 160, 2007
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1LPA
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![BU of 1lpa by Molmil](/molmil-images/mine/1lpa) | INTERFACIAL ACTIVATION OF THE LIPASE-PROCOLIPASE COMPLEX BY MIXED MICELLES REVEALED BY X-RAY CRYSTALLOGRAPHY | 分子名称: | CALCIUM ION, COLIPASE, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | 著者 | Van Tilbeurgh, H, Egloff, M.-P, Cambillau, C. | 登録日 | 1994-08-19 | 公開日 | 1994-11-01 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.04 Å) | 主引用文献 | Interfacial activation of the lipase-procolipase complex by mixed micelles revealed by X-ray crystallography. Nature, 362, 1993
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1LKA
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![BU of 1lka by Molmil](/molmil-images/mine/1lka) | Porcine Pancreatic Elastase/Ca-Complex | 分子名称: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | 著者 | Weiss, M.S, Panjikar, S, Nowak, E, Tucker, P.A. | 登録日 | 2002-04-24 | 公開日 | 2002-08-28 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Metal binding to porcine pancreatic elastase: calcium or not calcium. Acta Crystallogr.,Sect.D, 58, 2002
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1ZW1
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![BU of 1zw1 by Molmil](/molmil-images/mine/1zw1) | Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives | 分子名称: | 2-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | 著者 | Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C. | 登録日 | 2005-06-03 | 公開日 | 2006-06-06 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives. Bioorg.Med.Chem.Lett., 15, 2005
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4NQI
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![BU of 4nqi by Molmil](/molmil-images/mine/4nqi) | Structure of the N-terminal I-BAR domain (1-259) of D.Discoideum IBARa | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, SH3 domain-containing protein | 著者 | Witte, G, Faix, J, Runge-Wollmann, P. | 登録日 | 2013-11-25 | 公開日 | 2014-02-05 | 最終更新日 | 2014-04-02 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | The inverse BAR domain protein IBARa drives membrane remodeling to control osmoregulation, phagocytosis and cytokinesis. J.Cell.Sci., 127, 2014
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4JO3
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![BU of 4jo3 by Molmil](/molmil-images/mine/4jo3) | |
4JFF
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![BU of 4jff by Molmil](/molmil-images/mine/4jff) | Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | 著者 | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K. | 登録日 | 2013-02-28 | 公開日 | 2013-05-29 | 最終更新日 | 2014-04-02 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | T-cell receptor specificity maintained by altered thermodynamics. J.Biol.Chem., 288, 2013
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7YJ1
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![BU of 7yj1 by Molmil](/molmil-images/mine/7yj1) | Cryo-EM structure of SPT-ORMDL3 (ORMDL3-deltaN2) complex | 分子名称: | ORM1-like protein 3, PYRIDOXAL-5'-PHOSPHATE, Serine palmitoyltransferase 1, ... | 著者 | Xie, T, Liu, P, Gong, X. | 登録日 | 2022-07-19 | 公開日 | 2023-07-05 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Ceramide sensing by human SPT-ORMDL complex for establishing sphingolipid homeostasis. Nat Commun, 14, 2023
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1URM
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3BN9
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![BU of 3bn9 by Molmil](/molmil-images/mine/3bn9) | Crystal Structure of MT-SP1 in complex with Fab Inhibitor E2 | 分子名称: | 1,2-ETHANEDIOL, E2 Fab Heavy Chain, E2 Fab Light Chain, ... | 著者 | Farady, C.J, Schneider, E.L, Egea, P.F, Goetz, D.H, Craik, C.S. | 登録日 | 2007-12-13 | 公開日 | 2008-09-09 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.173 Å) | 主引用文献 | Structure of an Fab-protease complex reveals a highly specific non-canonical mechanism of inhibition J.Mol.Biol., 380, 2008
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1L3J
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![BU of 1l3j by Molmil](/molmil-images/mine/1l3j) | Crystal Structure of Oxalate Decarboxylase Formate Complex | 分子名称: | FORMIC ACID, MAGNESIUM ION, MANGANESE (II) ION, ... | 著者 | Anand, R, Dorrestein, P.C, Kinsland, C, Begley, T.P, Ealick, S.E. | 登録日 | 2002-02-27 | 公開日 | 2002-07-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of oxalate decarboxylase from Bacillus subtilis at 1.75 A resolution. Biochemistry, 41, 2002
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1QAO
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![BU of 1qao by Molmil](/molmil-images/mine/1qao) | THE STRUCTURE OF THE RRNA METHYLTRANSFERASE ERMC': IMPLICATIONS FOR THE REACTION MECHANISM | 分子名称: | ERMC' METHYLTRANSFERASE, S-ADENOSYLMETHIONINE | 著者 | Schluckebier, G, Zhong, P, Stewart, K.D, Kavanaugh, T.J, Abad-Zapatero, C. | 登録日 | 1999-03-26 | 公開日 | 2000-03-29 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The 2.2 A structure of the rRNA methyltransferase ErmC' and its complexes with cofactor and cofactor analogs: implications for the reaction mechanism. J.Mol.Biol., 289, 1999
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3QV1
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![BU of 3qv1 by Molmil](/molmil-images/mine/3qv1) | Crystal structure of the binary complex of photosyntetic A4 glyceraldehyde 3-phosphate dehydrogenase (GAPDH) with cp12-2, both from Arabidopsis thaliana. | 分子名称: | 1,2-ETHANEDIOL, CP12 protein, DI(HYDROXYETHYL)ETHER, ... | 著者 | Thumiger, A, Fermani, S, Falini, G, Marri, L, Sparla, F, Trost, P. | 登録日 | 2011-02-25 | 公開日 | 2012-02-29 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Conformational Selection and Folding-upon-binding of Intrinsically Disordered Protein CP12 Regulate Photosynthetic Enzymes Assembly. J.Biol.Chem., 287, 2012
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1KZP
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![BU of 1kzp by Molmil](/molmil-images/mine/1kzp) | PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH A FARNESYLATED K-RAS4B PEPTIDE PRODUCT | 分子名称: | ACETIC ACID, FARNESYL, Farnesylated K-Ras4B peptide product, ... | 著者 | Long, S.B, Casey, P.J, Beese, L.S. | 登録日 | 2002-02-07 | 公開日 | 2002-10-16 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Reaction path of protein farnesyltransferase at atomic resolution Nature, 419, 2002
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4F1S
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![BU of 4f1s by Molmil](/molmil-images/mine/4f1s) | Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor | 分子名称: | N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2012-05-07 | 公開日 | 2012-08-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold. Bioorg.Med.Chem.Lett., 22, 2012
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