4R8Y
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![BU of 4r8y by Molmil](/molmil-images/mine/4r8y) | BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium | 分子名称: | (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Orth, P, Caldwell, J.P, Strickland, C. | 登録日 | 2014-09-03 | 公開日 | 2014-11-05 | 最終更新日 | 2014-12-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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6MQG
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6N6B
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6MYN
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![BU of 6myn by Molmil](/molmil-images/mine/6myn) | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to inhibitor R7 | 分子名称: | (5s,7s)-9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | 著者 | Harris, S.F, Smith, M, Barker, J. | 登録日 | 2018-11-01 | 公開日 | 2019-08-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.744 Å) | 主引用文献 | Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1). Acs Med.Chem.Lett., 10, 2019
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6N2J
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![BU of 6n2j by Molmil](/molmil-images/mine/6n2j) | Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C | 分子名称: | 1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Vigers, G.P. | 登録日 | 2018-11-13 | 公開日 | 2018-12-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity. ACS Med Chem Lett, 9, 2018
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6N2U
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4R2C
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![BU of 4r2c by Molmil](/molmil-images/mine/4r2c) | Egr1/Zif268 zinc fingers in complex with hydroxymethylated DNA | 分子名称: | DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5HC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5HC)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), Early growth response protein 1, ... | 著者 | Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X. | 登録日 | 2014-08-11 | 公開日 | 2014-10-08 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence. Genes Dev., 28, 2014
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4QYP
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![BU of 4qyp by Molmil](/molmil-images/mine/4qyp) | The Crystal Structures of holo-wt human Cellular Retinol Binding protein II (hCRBPII) bound to Retinal | 分子名称: | ACETATE ION, RETINAL, Retinol-binding protein 2 | 著者 | Nossoni, Z, Assar, Z, Yapici, I, Nosrati, M, Wang, W, Berbasova, T, Vasileiou, C, Borhan, B, Geiger, H. | 登録日 | 2014-07-25 | 公開日 | 2014-12-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Structures of holo wild-type human cellular retinol-binding protein II (hCRBPII) bound to retinol and retinal. Acta Crystallogr.,Sect.D, 70, 2014
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6MQW
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4R9I
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![BU of 4r9i by Molmil](/molmil-images/mine/4r9i) | Crystal structure of cysteine proteinase inhibitor Serpin18 from Bombyx mori | 分子名称: | BETA-MERCAPTOETHANOL, CITRATE ANION, SODIUM ION, ... | 著者 | Guo, P.C, He, H.W, Zhao, P, Xia, Q.Y. | 登録日 | 2014-09-05 | 公開日 | 2015-09-09 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural insights into the unique inhibitory mechanism of the silkworm protease inhibitor serpin18 Sci Rep, 5, 2015
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6N3F
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![BU of 6n3f by Molmil](/molmil-images/mine/6n3f) | Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to SF3b1 ULM5 | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HIV Tat-specific factor 1, ... | 著者 | Leach, J.R, Jenkins, J.L, Kielkopf, C.L. | 登録日 | 2018-11-15 | 公開日 | 2019-01-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | 主引用文献 | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface. J. Biol. Chem., 294, 2019
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6N3O
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![BU of 6n3o by Molmil](/molmil-images/mine/6n3o) | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | 分子名称: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide, eIF-2-alpha kinase GCN2 | 著者 | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | 登録日 | 2018-11-15 | 公開日 | 2019-10-09 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode. Acs Med.Chem.Lett., 10, 2019
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4QX5
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![BU of 4qx5 by Molmil](/molmil-images/mine/4qx5) | Neutron diffraction reveals hydrogen bonds critical for cGMP-selective activation: Insights for PKG agonist design | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, IODIDE ION, cGMP-dependent protein kinase 1 | 著者 | Huang, G.Y, Gerlits, O.O, Blakeley, M.P, Sankaran, B, Kovalevsky, A.Y, Kim, C. | 登録日 | 2014-07-18 | 公開日 | 2014-11-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.318 Å) | 主引用文献 | Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design. Biochemistry, 53, 2014
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4RC2
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6N6O
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![BU of 6n6o by Molmil](/molmil-images/mine/6n6o) | Crystal structure of the human TTK in complex with an inhibitor | 分子名称: | 1,2-ETHANEDIOL, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, Dual specificity protein kinase TTK, ... | 著者 | Fenalti, G. | 登録日 | 2018-11-26 | 公開日 | 2019-05-15 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy. J.Med.Chem., 62, 2019
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4R2S
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![BU of 4r2s by Molmil](/molmil-images/mine/4r2s) | Wilms Tumor Protein (WT1) Q369P zinc fingers in complex with methylated DNA | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ... | 著者 | Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X. | 登録日 | 2014-08-12 | 公開日 | 2014-10-08 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.489 Å) | 主引用文献 | Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence. Genes Dev., 28, 2014
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6N3E
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![BU of 6n3e by Molmil](/molmil-images/mine/6n3e) | Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to U2AF ligand motif 4 | 分子名称: | FORMIC ACID, GLYCEROL, HIV Tat-specific factor 1, ... | 著者 | Loerch, S, Jenkins, J.L, Kielkopf, C.L. | 登録日 | 2018-11-15 | 公開日 | 2019-01-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.893 Å) | 主引用文献 | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface. J. Biol. Chem., 294, 2019
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4R5L
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![BU of 4r5l by Molmil](/molmil-images/mine/4r5l) | Crystal structure of the DnaK C-terminus (Dnak-SBD-C) | 分子名称: | CALCIUM ION, Chaperone protein DnaK, PHOSPHATE ION, ... | 著者 | Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L. | 登録日 | 2014-08-21 | 公開日 | 2014-09-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.9701 Å) | 主引用文献 | Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket. Acs Chem.Biol., 9, 2014
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4RAU
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4QXK
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![BU of 4qxk by Molmil](/molmil-images/mine/4qxk) | Joint X-ray/neutron structure of PKGIbeta in complex with cGMP | 分子名称: | CYCLIC GUANOSINE MONOPHOSPHATE, SODIUM ION, cGMP-dependent protein kinase 1 | 著者 | Kim, C, Gerlits, O, Kovalevsky, A, Huang, G.Y. | 登録日 | 2014-07-21 | 公開日 | 2014-11-12 | 最終更新日 | 2024-02-28 | 実験手法 | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | 主引用文献 | Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design. Biochemistry, 53, 2014
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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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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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4R5N
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![BU of 4r5n by Molmil](/molmil-images/mine/4r5n) | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | 分子名称: | (4R,4a'S,10a'R)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | 著者 | Vigers, G.P.A, Smith, D. | 登録日 | 2014-08-21 | 公開日 | 2014-12-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors. J.Med.Chem., 57, 2014
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4R6C
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4R8Q
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