1DHF
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6I5L
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![BU of 6i5l by Molmil](/molmil-images/mine/6i5l) | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN316 (derivative of compound 12h) | 分子名称: | 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-11-13 | 公開日 | 2019-01-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
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8E7E
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8E7J
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6I6C
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![BU of 6i6c by Molmil](/molmil-images/mine/6i6c) | SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 2 | 分子名称: | (1~{R},2~{S},4~{S})-~{N}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide, 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Alen, J, Schade, M, Wagener, M, Blaesse, M. | 登録日 | 2018-11-15 | 公開日 | 2019-07-10 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
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6I5H
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![BU of 6i5h by Molmil](/molmil-images/mine/6i5h) | Crystal structure of CLK1 in complex with furanopyrimidin VN412 | 分子名称: | 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, ... | 著者 | Schroeder, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-11-13 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
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3OIB
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3ODZ
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![BU of 3odz by Molmil](/molmil-images/mine/3odz) | Crystal structure of P38alpha Y323R active mutant | 分子名称: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Livnah, O, Tzarum, N. | 登録日 | 2010-08-12 | 公開日 | 2011-01-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Active mutants of the TCR-mediated p38alpha alternative activation site show changes in the phosphorylation lip and DEF site formation. J.Mol.Biol., 405, 2011
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1Y6X
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6H3D
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![BU of 6h3d by Molmil](/molmil-images/mine/6h3d) | Staphylopine dehydrogenase in complex with xNA | 分子名称: | D-HISTIDINE, DUF2338 domain-containing protein, GLYCEROL, ... | 著者 | Hajjar, C, Arnoux, P. | 登録日 | 2018-07-18 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Control by Metals of Staphylopine Dehydrogenase Activity during Metallophore Biosynthesis. J.Am.Chem.Soc., 141, 2019
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6H4A
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![BU of 6h4a by Molmil](/molmil-images/mine/6h4a) | Human MALT1(329-728) in complex with MLT-748 | 分子名称: | 1-[2-chloranyl-7-[(1~{R},2~{R})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | 著者 | Renatus, M, Renatus, M. | 登録日 | 2018-07-20 | 公開日 | 2019-02-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | An allosteric MALT1 inhibitor is a molecular corrector rescuing function in an immunodeficient patient. Nat. Chem. Biol., 15, 2019
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6H4M
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![BU of 6h4m by Molmil](/molmil-images/mine/6h4m) | TarP-UDP-GlcNAc-3RboP | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Probable ss-1,3-N-acetylglucosaminyltransferase, ... | 著者 | Guo, Y, Stehle, T. | 登録日 | 2018-07-22 | 公開日 | 2018-09-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity. Nature, 563, 2018
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3OEF
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6GIL
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![BU of 6gil by Molmil](/molmil-images/mine/6gil) | NMR structure of temporin B in SDS micelles | 分子名称: | Temporin-B | 著者 | Manzo, G, Mason, J.A. | 登録日 | 2018-05-12 | 公開日 | 2018-06-13 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Minor sequence modifications in temporin B cause drastic changes in antibacterial potency and selectivity by fundamentally altering membrane activity. Sci Rep, 9, 2019
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1ZYK
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![BU of 1zyk by Molmil](/molmil-images/mine/1zyk) | Anthranilate Phosphoribosyltransferase in complex with PRPP, anthranilate and magnesium | 分子名称: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-AMINOBENZOIC ACID, Anthranilate phosphoribosyltransferase, ... | 著者 | Marino, M, Deuss, M, Sterner, R, Mayans, O. | 登録日 | 2005-06-10 | 公開日 | 2006-05-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural and mutational analysis of substrate complexation by anthranilate phosphoribosyltransferase from Sulfolobus solfataricus. J.Biol.Chem., 281, 2006
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6HZD
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6HQ5
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![BU of 6hq5 by Molmil](/molmil-images/mine/6hq5) | Structure of EAL Enzyme Bd1971 - cAMP and cyclic-di-GMP bound form | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CALCIUM ION, ... | 著者 | Lovering, A.L, Cadby, I.T. | 登録日 | 2018-09-24 | 公開日 | 2019-07-31 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase. Embo J., 38, 2019
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6HVF
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![BU of 6hvf by Molmil](/molmil-images/mine/6hvf) | Kinase domain of cSrc in complex with compound 29B | 分子名称: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide | 著者 | Keul, M, Mueller, M.P, Rauh, D. | 登録日 | 2018-10-10 | 公開日 | 2019-10-23 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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1ESL
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6HZC
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6HZB
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6I6F
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![BU of 6i6f by Molmil](/molmil-images/mine/6i6f) | SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 1 | 分子名称: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sepiapterin reductase, ... | 著者 | Alen, J, Schade, M, Wagener, M, Blaesse, M. | 登録日 | 2018-11-15 | 公開日 | 2019-07-10 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
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6I6V
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![BU of 6i6v by Molmil](/molmil-images/mine/6i6v) | SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 6 | 分子名称: | 1,2-ETHANEDIOL, 2-[[(3~{R})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Alen, J, Schade, M, Wagener, M, Blaesse, M. | 登録日 | 2018-11-15 | 公開日 | 2019-07-10 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors. J.Med.Chem., 62, 2019
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1YS7
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![BU of 1ys7 by Molmil](/molmil-images/mine/1ys7) | Crystal structure of the response regulator protein prrA complexed with Mg2+ | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | 著者 | Nowak, E, Panjikar, S, Tucker, P, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | 登録日 | 2005-02-07 | 公開日 | 2006-02-07 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | The structural basis of signal transduction for the response regulator PrrA from Mycobacterium tuberculosis. J.Biol.Chem., 281, 2006
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1YME
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![BU of 1yme by Molmil](/molmil-images/mine/1yme) | STRUCTURE OF CARBOXYPEPTIDASE | 分子名称: | CARBOXYPEPTIDASE A ALPHA, ZINC ION | 著者 | Greenblatt, H.M, Tucker, P.A, Shoham, G. | 登録日 | 1996-07-15 | 公開日 | 1997-02-12 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Carboxypeptidase A: native, zinc-removed and mercury-replaced forms. Acta Crystallogr.,Sect.D, 54, 1998
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