6H0S
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5XXL
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![BU of 5xxl by Molmil](/molmil-images/mine/5xxl) | Crystal structure of GH3 beta-glucosidase from Bacteroides thetaiotaomicron | 分子名称: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | 著者 | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahash, Y, Sugimoto, N, Nakai, H, Taguchi, H. | 登録日 | 2017-07-04 | 公開日 | 2017-12-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase. FEBS Lett., 591, 2017
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3IVE
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![BU of 3ive by Molmil](/molmil-images/mine/3ive) | Putative 5'-Nucleotidase (c4898) from Escherichia Coli in complex with Cytidine | 分子名称: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, CHLORIDE ION, FE (III) ION, ... | 著者 | Ramagopal, U.A, Toro, R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2009-08-31 | 公開日 | 2009-09-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Putative 5'-Nucleotidase (c4898) from Escherichia Coli in complex with Cytidine To be Published
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5XXO
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![BU of 5xxo by Molmil](/molmil-images/mine/5xxo) | Crystal structure of mutant (D286N) GH3 beta-glucosidase from Bacteroides thetaiotaomicron in complex with sophorotriose | 分子名称: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | 著者 | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahash, Y, Sugimoto, N, Nakai, H, Taguchi, H. | 登録日 | 2017-07-04 | 公開日 | 2017-12-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase. FEBS Lett., 591, 2017
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7WWU
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![BU of 7wwu by Molmil](/molmil-images/mine/7wwu) | ICP1 Csy complex | 分子名称: | Csy1, Csy2, Csy3, ... | 著者 | Zhang, M, Peng, R. | 登録日 | 2022-02-14 | 公開日 | 2023-04-26 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Mechanistic insights into DNA binding and cleavage by a compact type I-F CRISPR-Cas system in bacteriophage. Proc.Natl.Acad.Sci.USA, 120, 2023
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6H19
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![BU of 6h19 by Molmil](/molmil-images/mine/6h19) | Crystal structure of ethyl-paraoxon inhibited recombinant human bile salt activated lipase (aged form) | 分子名称: | ACETATE ION, Bile salt-activated lipase, SODIUM ION, ... | 著者 | Touvrey, C, Brazzolotto, X, Nachon, F. | 登録日 | 2018-07-11 | 公開日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | X-ray structures of human bile-salt activated lipase conjugated to nerve agents surrogates. Toxicology, 411, 2019
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5Y1B
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![BU of 5y1b by Molmil](/molmil-images/mine/5y1b) | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with a berberine derivative (SYSU-00679) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 9-O-3'-quinolinium propylberberine, Beta-hexosaminidase | 著者 | Duan, Y.W, Liu, T, Zhou, Y, Tang, J.Y, Li, M, Yang, Q. | 登録日 | 2017-07-20 | 公開日 | 2018-01-24 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.207 Å) | 主引用文献 | Glycoside hydrolase family 18 and 20 enzymes are novel targets of the traditional medicine berberine. J. Biol. Chem., 293, 2018
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4QYG
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![BU of 4qyg by Molmil](/molmil-images/mine/4qyg) | CHK1 kinase domain in complex with diazacarbazole compound 14 | 分子名称: | 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid, Serine/threonine-protein kinase Chk1 | 著者 | Wiesmann, C, Wu, P. | 登録日 | 2014-07-24 | 公開日 | 2014-12-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1. Bioorg.Med.Chem.Lett., 24, 2014
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7XK9
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![BU of 7xk9 by Molmil](/molmil-images/mine/7xk9) | Structure of human beta2 adrenergic receptor bound to constrained isoproterenol | 分子名称: | (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | 著者 | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | 登録日 | 2022-04-19 | 公開日 | 2023-04-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
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4QSM
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![BU of 4qsm by Molmil](/molmil-images/mine/4qsm) | Crystal structure of human muscle L-lactate dehydrogenase in complex with inhibitor 2, 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid | 分子名称: | 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid, L-lactate dehydrogenase A chain | 著者 | Kolappan, S, Craig, L. | 登録日 | 2014-07-06 | 公開日 | 2014-12-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms. Acta Crystallogr.,Sect.D, 71, 2015
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2WLA
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![BU of 2wla by Molmil](/molmil-images/mine/2wla) | Streptococcus pyogenes Dpr | 分子名称: | DPS-LIKE PEROXIDE RESISTANCE PROTEIN, GLYCEROL | 著者 | Haikarainen, T, Tsou, C.-C, Wu, J.-J, Papageorgiou, A.C. | 登録日 | 2009-06-23 | 公開日 | 2009-09-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structures of Streptococcus Pyogenes Dpr Reveal a Dodecameric Iron-Binding Protein with a Ferroxidase Site. J.Biol.Inorg.Chem., 15, 2010
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6H1O
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![BU of 6h1o by Molmil](/molmil-images/mine/6h1o) | Structure of the BM3 heme domain in complex with voriconazole | 分子名称: | 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | 著者 | Jeffreys, L.N, Munro, A.W.M, Leys, D. | 登録日 | 2018-07-12 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.734 Å) | 主引用文献 | Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs. Sci Rep, 9, 2019
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2WM4
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![BU of 2wm4 by Molmil](/molmil-images/mine/2wm4) | X-ray structure of Mycobacterium tuberculosis cytochrome P450 CYP124 in complex with phytanic acid | 分子名称: | (3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Johnston, J.B, Kells, P.M, Podust, L.M, Ortiz de Montellano, P.R. | 登録日 | 2009-06-30 | 公開日 | 2009-10-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Biochemical and structural characterization of CYP124: a methyl-branched lipid omega-hydroxylase from Mycobacterium tuberculosis. Proc. Natl. Acad. Sci. U.S.A., 106, 2009
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2WHF
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![BU of 2whf by Molmil](/molmil-images/mine/2whf) | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines | 分子名称: | 1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 130 | 著者 | Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R. | 登録日 | 2009-05-04 | 公開日 | 2009-07-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines. J. Biol. Chem., 284, 2009
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6H7P
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![BU of 6h7p by Molmil](/molmil-images/mine/6h7p) | Reductive Aminase from Aspergillus terreus in complex with NADPH4, cyclohexanone and allyl amine | 分子名称: | CYCLOHEXANONE, Reductive Aminase, [[(2~{R},3~{S},4~{R},5~{R})-5-[(3~{R})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate, ... | 著者 | Sharma, M, Grogan, G, Mangas-Sanchez, J, Turner, N.J. | 登録日 | 2018-07-31 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Structure of Reductive Aminase from Aspergillus terreus Acs Catalysis, 2018
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4R1N
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5Y37
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![BU of 5y37 by Molmil](/molmil-images/mine/5y37) | Crystal structure of GBS GAPDH | 分子名称: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | 著者 | Jin, T, Zhou, K. | 登録日 | 2017-07-28 | 公開日 | 2018-04-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | High-resolution crystal structure of Streptococcus agalactiae glyceraldehyde-3-phosphate dehydrogenase. Acta Crystallogr.,Sect.F, 74, 2018
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7XMH
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![BU of 7xmh by Molmil](/molmil-images/mine/7xmh) | Crystal structure of a rice class IIIb chitinase, Oschib2 | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Putative class III chitinase | 著者 | Jun, T, Tomoya, T, Tomoyuki, N, Takayuki, O. | 登録日 | 2022-04-25 | 公開日 | 2023-05-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Characterization of two rice GH18 chitinases belonging to family 8 of plant pathogenesis-related proteins. Plant Sci., 326, 2023
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4R1Z
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![BU of 4r1z by Molmil](/molmil-images/mine/4r1z) | Zebra fish cytochrome P450 17A1 with Abiraterone | 分子名称: | Abiraterone, Cyp17a1 protein, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Pallan, P.S, Egli, M. | 登録日 | 2014-08-08 | 公開日 | 2014-12-31 | 最終更新日 | 2015-03-04 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Structural and Kinetic Basis of Steroid 17 alpha, 20-Lyase Activity in Teleost Fish Cytochrome P450 17A1 and Its Absence in Cytochrome P450 17A2. J.Biol.Chem., 290, 2015
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5XXN
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![BU of 5xxn by Molmil](/molmil-images/mine/5xxn) | Crystal Structure of mutant (D286N) beta-glucosidase from Bacteroides thetaiotaomicron in complex with sophorose | 分子名称: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | 著者 | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahashi, Y, Sugimono, N, Nakai, H, Taguchi, H. | 登録日 | 2017-07-04 | 公開日 | 2017-12-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase. FEBS Lett., 591, 2017
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6GSD
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![BU of 6gsd by Molmil](/molmil-images/mine/6gsd) | Plantago Major multifunctional oxidoreductase in complex with progesterone and NADP+ | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROGESTERONE, Progesterone 5-beta-reductase | 著者 | Fellows, R, Silva, C, Russo, C.M, Lee, S.G, Jez, J.M, Chisholm, J.D, Zubieta, C, Nanao, M. | 登録日 | 2018-06-14 | 公開日 | 2018-10-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | A multisubstrate reductase from Plantago major: structure-function in the short chain reductase superfamily. Sci Rep, 8, 2018
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3DKE
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![BU of 3dke by Molmil](/molmil-images/mine/3dke) | Polar and non-polar cavities in phage T4 lysozyme | 分子名称: | 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AZIDE ION, ... | 著者 | Liu, L.J, Matthews, B.W. | 登録日 | 2008-06-24 | 公開日 | 2008-11-25 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Use of experimental crystallographic phases to examine the hydration of polar and nonpolar cavities in T4 lysozyme Proc.Natl.Acad.Sci.USA, 105, 2008
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5Y8O
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![BU of 5y8o by Molmil](/molmil-images/mine/5y8o) | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + 3-Hydroxy propionate (3-HP) | 分子名称: | (2~{S})-2-methylpentanedioic acid, 3-HYDROXY-PROPANOIC ACID, ACRYLIC ACID, ... | 著者 | Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M. | 登録日 | 2017-08-21 | 公開日 | 2018-07-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase. Biochem. J., 475, 2018
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2WP6
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![BU of 2wp6 by Molmil](/molmil-images/mine/2wp6) | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00071494) | 分子名称: | (4S)-3-BENZYL-6-CHLORO-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Alphey, M.S, Patterson, S, Fairlamb, A.H. | 登録日 | 2009-08-03 | 公開日 | 2010-10-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011
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4R6C
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![BU of 4r6c by Molmil](/molmil-images/mine/4r6c) | |