6BKZ
 
 | | Novel Modes of Inhibition of Wild-Type IDH1: Non-equivalent Allosteric Inhibition with Cmpd3 | | 分子名称: | (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Jakob, C.G, Qiu, W. | | 登録日 | 2017-11-09 | | 公開日 | 2018-07-25 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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6BKX
 | | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd1 | | 分子名称: | (6aS,7S,9R,10aS)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ... | | 著者 | Jakob, C.G, Qiu, W. | | 登録日 | 2017-11-09 | | 公開日 | 2018-07-25 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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8AYV
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4E44
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4E45
 | | Crystal structure of the hMHF1/hMHF2 Histone-Fold Tetramer in Complex with Fanconi Anemia Associated Helicase hFANCM | | 分子名称: | Centromere protein S, Centromere protein X, Fanconi anemia group M protein, ... | | 著者 | Fox III, D, Zhao, Y, Yang, W, Weidong, W. | | 登録日 | 2012-03-12 | | 公開日 | 2013-03-20 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structures Reveal that FANCM remodels the MHF Tetramer in favor of binding Branched DNA
To be Published
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4DAY
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122D
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123D
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5K3Y
 | | Crystal structure of AuroraB/INCENP in complex with BI 811283 | | 分子名称: | Aurora kinase B-A, Inner centromere protein A, N-methyl-N-(1-methylpiperidin-4-yl)-4-{[4-({(1R,2S)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide | | 著者 | Bader, G, Zahn, S.K, Zoephel, A. | | 登録日 | 2016-05-20 | | 公開日 | 2016-08-17 | | 最終更新日 | 2022-12-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases.
Mol.Cancer Ther., 15, 2016
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7T0O
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7T0R
 | | Crystal structure of the anti-CD4 adnectin 6940_B01 as a complex with the extracellular domains of CD4 and ibalizumab fAb | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Adnectin 6940_B01, Ibalizumab Heavy Chain, ... | | 著者 | Williams, S.P, Concha, N.O, Wensel, D.L, Hong, X. | | 登録日 | 2021-11-30 | | 公開日 | 2022-01-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.65 Å) | | 主引用文献 | Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
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4QXS
 | | Crystal structure of human FPPS in complex with WC01088 | | 分子名称: | (2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, GLYCEROL, ... | | 著者 | Park, J, Zielinski, M, Weiling, C, Tsantrizos, Y.S, Berghuis, A.M. | | 登録日 | 2014-07-21 | | 公開日 | 2015-02-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase.
Bioorg.Med.Chem.Lett., 25, 2015
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8A5T
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5JAI
 | | Yersinia pestis FabV variant T276G | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | | 著者 | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | | 登録日 | 2016-04-12 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
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5JAQ
 | | Yersinia pestis FabV variant T276C | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | | 著者 | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | | 登録日 | 2016-04-12 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
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5JAM
 | | Yersinia pestis FabV variant T276V | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | | 著者 | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | | 登録日 | 2016-04-12 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
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5G2O
 | | Yersinia pestis FabV variant T276A | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | | 著者 | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | | 登録日 | 2016-04-11 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
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5LWO
 | | Structure of Spin-labelled T4 lysozyme mutant L115C-R119C-R1 at 100K | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Loll, B, Consentius, P, Gohlke, U, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T. | | 登録日 | 2016-09-18 | | 公開日 | 2017-03-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.183 Å) | | 主引用文献 | Internal Dynamics of the 3-Pyrroline-N-Oxide Ring in Spin-Labeled Proteins.
J Phys Chem Lett, 8, 2017
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8PE4
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2D25
 | | C-C-A-G-G-C-M5C-T-G-G; HELICAL FINE STRUCTURE, HYDRATION, AND COMPARISON WITH C-C-A-G-G-C-C-T-G-G | | 分子名称: | DNA (5'-D(*CP*CP*AP*GP*GP*CP*(5CM)P*TP*GP*G)-3'), MAGNESIUM ION | | 著者 | Heinemann, U, Hahn, M. | | 登録日 | 1991-04-23 | | 公開日 | 1991-04-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | C-C-A-G-G-C-m5C-T-G-G. Helical fine structure, hydration, and comparison with C-C-A-G-G-C-C-T-G-G.
J.Biol.Chem., 267, 1992
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8DYA
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4KTD
 | | Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE136, from non-human primate | | 分子名称: | GE136 Heavy Chain Fab, GE136 Light Chain Fab, GLYCEROL, ... | | 著者 | Poulsen, C, Tran, K, Standfield, R, Wyatt, R.T. | | 登録日 | 2013-05-20 | | 公開日 | 2014-02-05 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4KTE
 | | Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE148, from non-human primate | | 分子名称: | GE148 Heavy Chain Fab, GE148 Light Chain Fab, GLYCEROL, ... | | 著者 | Poulsen, C, Tran, K, Stanfield, R, Wyatt, R.T. | | 登録日 | 2013-05-20 | | 公開日 | 2014-02-05 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1ODU
 | | CRYSTAL STRUCTURE OF THERMOTOGA MARITIMA ALPHA-FUCOSIDASE IN COMPLEX WITH FUCOSE | | 分子名称: | PUTATIVE ALPHA-L-FUCOSIDASE, beta-L-fucopyranose | | 著者 | Sulzenbacher, G, Bignon, C, Bourne, Y, Henrissat, B. | | 登録日 | 2003-03-14 | | 公開日 | 2004-01-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal Structure of Thermotoga Maritima {Alpha}-L-Fucosidase: Insights Into the Catalytic Mechanism and the Molecular Basis for Fucosidosis
J.Biol.Chem., 279, 2004
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5EYM
 | | MEK1 IN COMPLEX WITH BI 847325 | | 分子名称: | 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1 | | 著者 | Bader, G, Reiser, U, Zahn, S.K, Treu, M. | | 登録日 | 2015-11-25 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases.
Mol.Cancer Ther., 15, 2016
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