3VXG
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![BU of 3vxg by Molmil](/molmil-images/mine/3vxg) | Crystal structure of conjugated polyketone reductase C2 from Candida Parapsilosis | 分子名称: | Conjugated polyketone reductase C2 | 著者 | Qin, H.-M, Yamamura, A, Miyakawa, T, Maruoka, S, Ohtsuka, J, Nagata, K, Kataoka, M, Shimizu, S, Tanokura, M. | 登録日 | 2012-09-13 | 公開日 | 2013-08-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure of conjugated polyketone reductase from Candida parapsilosis IFO 0708 reveals conformational changes for substrate recognition upon NADPH binding Appl.Microbiol.Biotechnol., 98, 2014
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3VB5
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![BU of 3vb5 by Molmil](/molmil-images/mine/3vb5) | Crystal structure of SARS-CoV 3C-like protease with C4Z | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase, C4Z inhibitor | 著者 | Chuck, C.P, Wong, K.B. | 登録日 | 2011-12-31 | 公開日 | 2012-12-12 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases Eur.J.Med.Chem., 59C, 2012
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3VRK
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![BU of 3vrk by Molmil](/molmil-images/mine/3vrk) | Crystal Structutre of Thiobacillus thioparus THI115 Carbonyl Sulfide Hydrolase / Thiocyanate complex | 分子名称: | Carbonyl sulfide hydrolase, SODIUM ION, THIOCYANATE ION, ... | 著者 | Katayama, Y, Noguchi, K, Ogawa, T, Ohtaki, A, Odaka, M, Yohda, M. | 登録日 | 2012-04-11 | 公開日 | 2013-02-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Carbonyl Sulfide Hydrolase from Thiobacillus thioparus Strain THI115 Is One of the beta-Carbonic Anhydrase Family Enzymes J.Am.Chem.Soc., 135, 2013
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3VT6
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![BU of 3vt6 by Molmil](/molmil-images/mine/3vt6) | Crystal structure of rat VDR-LBD with 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 | 分子名称: | (1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor | 著者 | Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. | 登録日 | 2012-05-19 | 公開日 | 2013-05-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands. J.Med.Chem., 56, 2013
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3VTC
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![BU of 3vtc by Molmil](/molmil-images/mine/3vtc) | Crystal structure of rat vitamin D receptor bound to a partial agonist 26-adamantyl-23-yne-19-norvitammin D ADTK3 | 分子名称: | (1R,3R,7E,17beta)-17-{(2R,6R)-6-hydroxy-7-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 1,2-ETHANEDIOL, COACTIVATOR PEPTIDE DRIP, ... | 著者 | Nakabayashi, M, Kudo, T, Tokiwa, H, Makishima, M, Yamada, S, Ikura, T, Ito, N. | 登録日 | 2012-05-26 | 公開日 | 2013-06-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Combination of Triple Bond and Adamantane Ring on the Vitamin D Side Chain Produced Partial Agonists for Vitamin D Receptor. J.Med.Chem., 2014
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3VZZ
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![BU of 3vzz by Molmil](/molmil-images/mine/3vzz) | Crystal structure of PcrB complexed with FsPP from bacillus subtilis subap. subtilis str. 168 | 分子名称: | CHLORIDE ION, Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION, ... | 著者 | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | 登録日 | 2012-10-17 | 公開日 | 2012-12-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus Chembiochem, 14, 2013
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4POH
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![BU of 4poh by Molmil](/molmil-images/mine/4poh) | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 8-methyl UAB30 and the coactivator peptide GRIP-1 | 分子名称: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | 著者 | Xia, G, Smith, C.D, Muccio, D.D. | 登録日 | 2014-02-25 | 公開日 | 2014-06-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity. J.Med.Chem., 57, 2014
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3W19
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4PP3
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![BU of 4pp3 by Molmil](/molmil-images/mine/4pp3) | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 6-methyl UAB30 and the coactivator peptide GRIP-1 | 分子名称: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | 著者 | Xia, G, Smith, C.D, Muccio, D.D. | 登録日 | 2014-02-26 | 公開日 | 2014-06-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity. J.Med.Chem., 57, 2014
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3VD2
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![BU of 3vd2 by Molmil](/molmil-images/mine/3vd2) | structure of p73 DNA binding domain tetramer modulates p73 transactivation | 分子名称: | DNA (5'-D(*AP*TP*GP*GP*AP*CP*AP*TP*GP*TP*CP*CP*AP*T)-3'), Tumor protein p73, ZINC ION | 著者 | Ethayathulla, A.S, Tse, P.W, Nguyen, S, Viadiu, H. | 登録日 | 2012-01-04 | 公開日 | 2012-04-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (4 Å) | 主引用文献 | Structure of p73 DNA-binding domain tetramer modulates p73 transactivation. Proc.Natl.Acad.Sci.USA, 109, 2012
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3VT5
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![BU of 3vt5 by Molmil](/molmil-images/mine/3vt5) | Crystal structures of rat VDR-LBD with R270L mutation | 分子名称: | (1R,2E,3R,5Z,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor | 著者 | Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. | 登録日 | 2012-05-19 | 公開日 | 2013-05-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands. J.Med.Chem., 56, 2013
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3VTB
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![BU of 3vtb by Molmil](/molmil-images/mine/3vtb) | Crystal structure of rat vitamin D receptor bound to a partial agonist 25-adamantyl-23-yne-19-norvitammin D ADTK1 | 分子名称: | (1R,3R,7E,17beta)-17-{(2R,6S)-6-hydroxy-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor | 著者 | Nakabayashi, M, Kudo, T, Tokiwa, H, Makishima, M, Yamada, S, Ikura, T, Ito, N. | 登録日 | 2012-05-26 | 公開日 | 2013-06-12 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Combination of Triple Bond and Adamantane Ring on the Vitamin D Side Chain Produced Partial Agonists for Vitamin D Receptor. J.Med.Chem., 2014
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6M8F
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![BU of 6m8f by Molmil](/molmil-images/mine/6m8f) | Engineered sperm whale myoglobin-based carbene transferase | 分子名称: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | 著者 | Bacik, J.P, Ando, N, Fasan, R. | 登録日 | 2018-08-21 | 公開日 | 2019-01-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Origin of high stereocontrol in olefin cyclopropanation catalyzed by an engineered carbene transferase. Acs Catalysis, 9, 2019
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3MAQ
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![BU of 3maq by Molmil](/molmil-images/mine/3maq) | Crystal structure of E.coli Pol II-normal DNA-dGTP ternary complex | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*TP*GP*CP*CP*TP*AP*GP*CP*GP*TP*AP*(DOC))-3'), DNA (5'-D(*TP*AP*CP*GP*TP*AP*CP*GP*CP*TP*AP*GP*GP*CP*AP*CP*A)-3'), ... | 著者 | Yang, W, Wang, F. | 登録日 | 2010-03-24 | 公開日 | 2010-04-07 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural insight into translesion synthesis by DNA Pol II Cell(Cambridge,Mass.), 139, 2009
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3VIE
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![BU of 3vie by Molmil](/molmil-images/mine/3vie) | HIV-gp41 fusion inhibitor Sifuvirtide | 分子名称: | Envelope glycoprotein gp160, Sifuvirtide | 著者 | Yao, X, Waltersperger, S, Wang, M.T, Cui, S. | 登録日 | 2011-09-29 | 公開日 | 2012-01-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Broad antiviral activity and crystal structure of HIV-1 fusion inhibitor sifuvirtide J.Biol.Chem., 287, 2012
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4POS
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5I3T
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![BU of 5i3t by Molmil](/molmil-images/mine/5i3t) | Native Structure of the Linalool Dehydratase-Isomerase from Castellaniella defragrans | 分子名称: | 1,3-BUTANEDIOL, CHLORIDE ION, Linalool dehydratase/isomerase, ... | 著者 | LaMattina, J.W, Carlock, M, Koch, D.J, Lanzilotta, W.N. | 登録日 | 2016-02-11 | 公開日 | 2016-06-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Native Structure of the Linalool Dehydratase-Isomerase from Castellaniella defragrans To Be Published
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2RKM
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![BU of 2rkm by Molmil](/molmil-images/mine/2rkm) | STRUCTURE OF OPPA COMPLEXED WITH LYS-LYS | 分子名称: | LYSINE, OLIGO-PEPTIDE BINDING PROTEIN, URANYL (VI) ION | 著者 | Sleigh, S.H, Tame, J.R.H, Wilkinson, A.J. | 登録日 | 1997-03-25 | 公開日 | 1997-07-29 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Peptide binding in OppA, the crystal structures of the periplasmic oligopeptide binding protein in the unliganded form and in complex with lysyllysine. Biochemistry, 36, 1997
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4POR
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5I2R
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![BU of 5i2r by Molmil](/molmil-images/mine/5i2r) | human PDE10A in complex with 3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one | 分子名称: | 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Joseph, C, Koerner, M, Rudolph, M.G. | 登録日 | 2016-02-09 | 公開日 | 2016-03-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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3L9E
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![BU of 3l9e by Molmil](/molmil-images/mine/3l9e) | Crystal structures of holo and Cu-deficient Cu/ZnSOD from the silkworm Bombyx mori and the implications in Amyotrophic lateral sclerosis | 分子名称: | Superoxide dismutase [Cu-Zn], ZINC ION | 著者 | Zhang, N.-N, He, Y.-X, Li, W.-F, Zhao, F, Yan, L.-F, Zhang, G.-Z, Teng, Y.-B, Yu, J, Chen, Y, Zhou, C.-Z. | 登録日 | 2010-01-05 | 公開日 | 2010-03-31 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal structures of holo and Cu-deficient Cu/Zn-SOD from the silkworm Bombyx mori and the implications in amyotrophic lateral sclerosis Proteins, 78, 2010
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4G2I
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![BU of 4g2i by Molmil](/molmil-images/mine/4g2i) | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | 分子名称: | (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol, Vitamin D3 receptor | 著者 | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | 登録日 | 2012-07-12 | 公開日 | 2012-09-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
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3LBS
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3VX1
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3VN9
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![BU of 3vn9 by Molmil](/molmil-images/mine/3vn9) | Rifined Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state | 分子名称: | 9-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-beta-L-ribofuranosyl}-9H-purin-6-amine, Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION | 著者 | Kinoshita, T, Matsuzaka, H, Nakai, R, Kirii, Y, Yokota, K, Tada, T, Matsumoto, T. | 登録日 | 2012-01-05 | 公開日 | 2012-02-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state J.Biochem., 151, 2012
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