2I47
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![BU of 2i47 by Molmil](/molmil-images/mine/2i47) | Crystal structure of catalytic domain of TACE with inhibitor | 分子名称: | 4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE, ADAM 17, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | 著者 | Xu, W, Condon, J.S, Lovering, F.E. | 登録日 | 2006-08-21 | 公開日 | 2006-12-05 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification of potent and selective TACE inhibitors via the S1 pocket. Bioorg.Med.Chem.Lett., 17, 2007
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1P2R
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![BU of 1p2r by Molmil](/molmil-images/mine/1p2r) | T4 LYSOZYME CORE REPACKING MUTANT I78V/TA | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... | 著者 | Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. | 登録日 | 2003-04-15 | 公開日 | 2003-10-07 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Repacking the Core of T4 lysozyme by automated design J.Mol.Biol., 332, 2003
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1RH0
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![BU of 1rh0 by Molmil](/molmil-images/mine/1rh0) | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine and trinucleotide GTT | 分子名称: | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*GP*TP*T)-3', SPERMINE, ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | 登録日 | 2003-11-13 | 公開日 | 2004-03-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
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8GUA
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![BU of 8gua by Molmil](/molmil-images/mine/8gua) | Cryo-EM structure of cancer-specific PI3Kalpha mutant E542K in complex with BYL-719 | 分子名称: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | 登録日 | 2022-09-11 | 公開日 | 2022-12-07 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | 主引用文献 | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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2HXU
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![BU of 2hxu by Molmil](/molmil-images/mine/2hxu) | Crystal structure of K220A mutant of L-Fuconate Dehydratase from Xanthomonas campestris liganded with Mg++ and L-fuconate | 分子名称: | 6-deoxy-L-galactonic acid, L-fuconate dehydratase, MAGNESIUM ION, ... | 著者 | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Rakus, J.F, Gerlt, J.A, Almo, S.C. | 登録日 | 2006-08-03 | 公開日 | 2006-12-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Evolution of Enzymatic Activities in the Enolase Superfamily: l-Fuconate Dehydratase from Xanthomonas campestris. Biochemistry, 45, 2006
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5M8O
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![BU of 5m8o by Molmil](/molmil-images/mine/5m8o) | Crystal structure of human tyrosinase related protein 1 in complex with tropolone | 分子名称: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W. | 登録日 | 2016-10-29 | 公開日 | 2017-07-12 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis. Angew. Chem. Int. Ed. Engl., 56, 2017
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2HYY
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![BU of 2hyy by Molmil](/molmil-images/mine/2hyy) | Human Abl kinase domain in complex with imatinib (STI571, Glivec) | 分子名称: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | 著者 | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | 登録日 | 2006-08-08 | 公開日 | 2007-01-16 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia. ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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5MKZ
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5LD8
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6TB0
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![BU of 6tb0 by Molmil](/molmil-images/mine/6tb0) | Crystal structure of thermostable omega transaminase 4-fold mutant from Pseudomonas jessenii | 分子名称: | Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B. | 登録日 | 2019-10-31 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Robust omega-Transaminases by Computational Stabilization of the Subunit Interface. Acs Catalysis, 10, 2020
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1RGC
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![BU of 1rgc by Molmil](/molmil-images/mine/1rgc) | THE COMPLEX BETWEEN RIBONUCLEASE T1 AND 3'-GUANYLIC ACID SUGGESTS GEOMETRY OF ENZYMATIC REACTION PATH. AN X-RAY STUDY | 分子名称: | CALCIUM ION, GUANOSINE-3'-MONOPHOSPHATE, RIBONUCLEASE T1 | 著者 | Heydenreich, A, Koellner, G, Choe, H.W, Cordes, F, Kisker, C, Schindelin, H, Adamiak, R, Hahn, U, Saenger, W. | 登録日 | 1993-05-12 | 公開日 | 1994-01-31 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The complex between ribonuclease T1 and 3'GMP suggests geometry of enzymic reaction path. An X-ray study. Eur.J.Biochem., 218, 1993
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1JZ2
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![BU of 1jz2 by Molmil](/molmil-images/mine/1jz2) | E. COLI (lacZ) BETA-GALACTOSIDASE-TRAPPED 2-F-GALACTOSYL-ENZYME INTERMEDIATE (ORTHORHOMBIC) | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-deoxy-2-fluoro-beta-D-galactopyranose, Beta-Galactosidase, ... | 著者 | Juers, D.H, McCarter, J.D, Mackenzie, L, Withers, S.G, Matthews, B.W. | 登録日 | 2001-09-13 | 公開日 | 2001-12-07 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase Biochemistry, 40, 2001
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8G01
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![BU of 8g01 by Molmil](/molmil-images/mine/8g01) | YES Complex - E. coli MraY, Protein E ID21, E. coli SlyD | 分子名称: | FKBP-type peptidyl-prolyl cis-trans isomerase SlyD, GPE, Phospho-N-acetylmuramoyl-pentapeptide-transferase | 著者 | Orta, A.K, Clemons, W.M, Riera, N. | 登録日 | 2023-01-31 | 公開日 | 2023-07-26 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | The mechanism of the phage-encoded protein antibiotic from Phi X174. Science, 381, 2023
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1K30
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![BU of 1k30 by Molmil](/molmil-images/mine/1k30) | Crystal Structure Analysis of Squash (Cucurbita moschata) glycerol-3-phosphate (1)-acyltransferase | 分子名称: | glycerol-3-phosphate acyltransferase | 著者 | Turnbull, A.P, Rafferty, J.B, Sedelnikova, S.E, Slabas, A.R, Schierer, T.P, Kroon, J.T, Simon, J.W, Fawcett, T, Nishida, I, Murata, N, Rice, D.W. | 登録日 | 2001-10-01 | 公開日 | 2001-10-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Analysis of the structure, substrate specificity, and mechanism of squash glycerol-3-phosphate (1)-acyltransferase. Structure, 9, 2001
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8G02
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![BU of 8g02 by Molmil](/molmil-images/mine/8g02) | YES Complex - E. coli MraY, Protein E PhiX174, E. coli SlyD | 分子名称: | Lysis protein E, Peptidyl-prolyl cis-trans isomerase, Phospho-N-acetylmuramoyl-pentapeptide-transferase | 著者 | Orta, A.K, Clemons, W.M, Li, Y.E. | 登録日 | 2023-01-31 | 公開日 | 2023-07-26 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | The mechanism of the phage-encoded protein antibiotic from Phi X174. Science, 381, 2023
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7QU9
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![BU of 7qu9 by Molmil](/molmil-images/mine/7qu9) | Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii. | 分子名称: | Anthranilate synthase component I family protein, GLYCEROL, TRYPTOPHAN | 著者 | Rooms, L.D, Race, P.R, Back, C.B, Burton, N.B, Willis, C.L, Stach, J.E.M, Duke, P.W, Hawkins, C. | 登録日 | 2022-01-17 | 公開日 | 2023-01-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii. To Be Published
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7QWE
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7QWD
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7QWB
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4LCX
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![BU of 4lcx by Molmil](/molmil-images/mine/4lcx) | The structure of hemagglutinin from avian-origin H7N9 influenza virus (A/Shanghai/1/2013) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2 | 著者 | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | 登録日 | 2013-06-24 | 公開日 | 2013-11-06 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.094 Å) | 主引用文献 | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses. Science, 342, 2013
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1R35
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![BU of 1r35 by Molmil](/molmil-images/mine/1r35) | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER, TETRAHYDROBIOPTERIN AND 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE | 分子名称: | 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | 著者 | Shieh, H.S, Stevens, A.M, Stallings, W.C. | 登録日 | 2003-09-30 | 公開日 | 2004-10-05 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 4-Fluorinated L-lysine analogs as selective i-NOS inhibitors: methodology for introducing fluorine into the lysine side chain. Org.Biomol.Chem., 1, 2003
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8G9L
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![BU of 8g9l by Molmil](/molmil-images/mine/8g9l) | DNA initiation subcomplex of Xenopus laevis DNA polymerase alpha-primase | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA primase large subunit, ... | 著者 | Mullins, E.A, Durie, C.L, Ohi, M.D, Chazin, W.J, Eichman, B.F. | 登録日 | 2023-02-21 | 公開日 | 2023-04-12 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase. Nat.Struct.Mol.Biol., 31, 2024
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1RHD
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2JLA
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![BU of 2jla by Molmil](/molmil-images/mine/2jla) | Crystal structure of E.coli MenD, 2-succinyl-5-enolpyruvyl-6-hydroxy- 3-cyclohexadiene-1-carboxylate synthase - SeMet protein | 分子名称: | 2-SUCCINYL-5-ENOLPYRUVYL-6-HYDROXY-3-CYCLOHEXENE -1-CARBOXYLATE SYNTHASE, CHLORIDE ION, MANGANESE (II) ION, ... | 著者 | Dawson, A, Fyfe, P.K, Hunter, W.N. | 登録日 | 2008-09-05 | 公開日 | 2008-10-21 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Specificity and Reactivity in Menaquinone Biosynthesis: The Structure of Escherichia Coli Mend (2-Succinyl-5-Enolpyruvyl-6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase). J.Mol.Biol., 384, 2008
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1R66
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![BU of 1r66 by Molmil](/molmil-images/mine/1r66) | Crystal Structure of DesIV (dTDP-glucose 4,6-dehydratase) from Streptomyces venezuelae with NAD and TYD bound | 分子名称: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TDP-glucose-4,6-dehydratase, ... | 著者 | Allard, S.T.M, Cleland, W.W, Holden, H.M. | 登録日 | 2003-10-14 | 公開日 | 2004-01-27 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | High Resolution X-ray Structure of dTDP-Glucose 4,6-Dehydratase from Streptomyces venezuelae J.Biol.Chem., 279, 2004
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