5F1M
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5F4N
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![BU of 5f4n by Molmil](/molmil-images/mine/5f4n) | Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737) | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase Chk1, ... | 著者 | Collins, I, Garrett, M.D, van Montfort, R, Osborne, J.D, Matthews, T.P, McHardy, T, Proisy, N, Cheung, K.J, Lainchbury, M, Brown, N, Walton, M.I, Eve, P.D, Boxall, K.J, Hayes, A, Henley, A.T, Valenti, M.R, De Haven Brandon, A.K, Box, G, Westwood, I.M, Jamin, Y, Robinson, S.P, Leonard, P, Reader, J.C, Aherne, G.W, Raynaud, F.I, Eccles, S.A. | 登録日 | 2015-12-03 | 公開日 | 2016-05-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737). J.Med.Chem., 59, 2016
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6AHS
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![BU of 6ahs by Molmil](/molmil-images/mine/6ahs) | Mouse Kallikrein 7 in complex with imidazolinylindole derivative | 分子名称: | 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | 著者 | Sugawara, H. | 登録日 | 2018-08-20 | 公開日 | 2019-01-02 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors. Bioorg. Med. Chem. Lett., 29, 2019
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5F2F
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![BU of 5f2f by Molmil](/molmil-images/mine/5f2f) | Crystal structure of para-biphenyl-2-methyl-3', 5' di-methyl amide mannoside bound to FimH lectin domain | 分子名称: | 5-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}1,~{N}3-dimethyl-benzene-1,3-dicarboxamide, GLYCEROL, Protein FimH | 著者 | Kalas, V, Hultgren, S.J. | 登録日 | 2015-12-01 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.665 Å) | 主引用文献 | Antivirulence Isoquinolone Mannosides: Optimization of the Biaryl Aglycone for FimH Lectin Binding Affinity and Efficacy in the Treatment of Chronic UTI. Chemmedchem, 11, 2016
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4WM8
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![BU of 4wm8 by Molmil](/molmil-images/mine/4wm8) | Crystal Structure of Human Enterovirus D68 | 分子名称: | DECANOIC ACID, VP1, VP2, ... | 著者 | Liu, Y, Sheng, J, Fokine, A, Meng, G, Long, F, Kuhn, R.J, Rossmann, M.G. | 登録日 | 2014-10-08 | 公開日 | 2015-01-14 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Virus structure. Structure and inhibition of EV-D68, a virus that causes respiratory illness in children. Science, 347, 2015
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4WNX
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![BU of 4wnx by Molmil](/molmil-images/mine/4wnx) | Netrin 4 lacking the C-terminal Domain | 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, CALCIUM ION, ... | 著者 | McDougall, M, Patel, T, Reuten, R, Meier, M, Koch, M, Stetefeld, J. | 登録日 | 2014-10-14 | 公開日 | 2016-02-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.723 Å) | 主引用文献 | Structural decoding of netrin-4 reveals a regulatory function towards mature basement membranes. Nat Commun, 7, 2016
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4X25
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4X2Y
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![BU of 4x2y by Molmil](/molmil-images/mine/4x2y) | Crystal structure of a chimeric Murine Norovirus NS6 protease (inactive C139A mutant) in which the P4-P4 prime residues of the cleavage junction in the extended C-terminus have been replaced by the corresponding residues from the NS2-3 junction. | 分子名称: | NS6 Protease,NS6 Protease | 著者 | Leen, E.N, Pfeil, M.-P, Fernandes, H, Curry, S. | 登録日 | 2014-11-27 | 公開日 | 2015-02-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.417 Å) | 主引用文献 | Structure determination of Murine Norovirus NS6 proteases with C-terminal extensions designed to probe protease-substrate interactions. Peerj, 3, 2015
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5EVO
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![BU of 5evo by Molmil](/molmil-images/mine/5evo) | Structure of Dehydroascrobate Reductase from Pennisetum Americanum in complex with two non-native ligands, Acetate in the G-site and Glycerol in the H-site | 分子名称: | ACETATE ION, Dehydroascorbate reductase, GLYCEROL | 著者 | Kumar, A.O, Das, B.K, Arockiasamy, A. | 登録日 | 2015-11-20 | 公開日 | 2016-05-04 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase. Biochem.Biophys.Res.Commun., 473, 2016
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6ATP
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6APX
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![BU of 6apx by Molmil](/molmil-images/mine/6apx) | Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1 | 分子名称: | GLYCEROL, Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1, Monobody YSX1, ... | 著者 | Gumpena, R, Lountos, G.T, Sreejith, R.K, Tropea, J.E, Cherry, S, Waugh, D.S. | 登録日 | 2017-08-18 | 公開日 | 2017-11-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.491 Å) | 主引用文献 | Crystal structure of the human dual specificity phosphatase 1 catalytic domain. Protein Sci., 27, 2018
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6AU5
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6AVC
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4WVO
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![BU of 4wvo by Molmil](/molmil-images/mine/4wvo) | An engineered PYR1 mandipropamid receptor in complex with mandipropamid and HAB1 | 分子名称: | (2S)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide, Abscisic acid receptor PYR1, MAGNESIUM ION, ... | 著者 | Peterson, F.C, Volkman, B.F, Cutler, S.R. | 登録日 | 2014-11-06 | 公開日 | 2015-02-11 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | 主引用文献 | Agrochemical control of plant water use using engineered abscisic acid receptors. Nature, 520, 2015
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6ATQ
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6ANE
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![BU of 6ane by Molmil](/molmil-images/mine/6ane) | Crystal Structure of Ideonella sakaiensis PET Hydrolase | 分子名称: | MAGNESIUM ION, Poly(ethylene terephthalate) hydrolase | 著者 | Galaz-Davison, P, Sotomayor, M, Parra, L.P, Ramirez-Sarmiento, C.A. | 登録日 | 2017-08-12 | 公開日 | 2018-04-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Active Site Flexibility as a Hallmark for Efficient PET Degradation by I. sakaiensis PETase. Biophys. J., 114, 2018
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4X1L
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6AOX
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2FW2
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![BU of 2fw2 by Molmil](/molmil-images/mine/2fw2) | Catalytic domain of CDY | 分子名称: | Testis-specific chromodomain protein Y 2 | 著者 | Min, J.R, Antoshenko, T, Wu, H, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | 登録日 | 2006-01-31 | 公開日 | 2006-02-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The Crystal Structure of catalytic domain of Human Testis-specific chromodomain protein Y. To be Published
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5F46
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![BU of 5f46 by Molmil](/molmil-images/mine/5f46) | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample, apoenzyme form | 分子名称: | CHLORIDE ION, aminoglycoside acetyltransferase meta-AAC0020 | 著者 | Xu, Z, Skarina, T, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2015-12-03 | 公開日 | 2015-12-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes. ACS Infect Dis, 3, 2017
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5B74
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![BU of 5b74 by Molmil](/molmil-images/mine/5b74) | Crystal structure of conjoined Pyrococcus furiosus L-asparaginase with peptide | 分子名称: | CHLORIDE ION, CITRATE ANION, L-asparaginase, ... | 著者 | Sharma, P, Tomar, R, Nath, S.K, Kundu, B, Ashish, F. | 登録日 | 2016-06-05 | 公開日 | 2017-06-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.039 Å) | 主引用文献 | Heat induces end to end repetitive association in P. furiosus L-asparaginase which enables its thermophilic property. Sci Rep, 10, 2020
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5BX0
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4X1M
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6AQ5
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7AYF
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![BU of 7ayf by Molmil](/molmil-images/mine/7ayf) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-110 | 分子名称: | 14-3-3 protein sigma, 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde, CALCIUM ION, ... | 著者 | Wolter, M, Dijck, L.v, Ottmann, C. | 登録日 | 2020-11-12 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | 主引用文献 | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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