8JXL
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7YH6
| Structure of SARS-CoV-2 spike RBD in complex with neutralizing antibody NIV-8 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NIV-8 Fab heavy chain, NIV-8 Fab light chain, ... | 著者 | Moriyama, S, Anraku, Y, Muranishi, S, Adachi, Y, Kuroda, D, Higuchi, Y, Kotaki, R, Tonouchi, K, Yumoto, K, Suzuki, T, Kita, S, Someya, T, Fukuhara, H, Kuroda, Y, Yamamoto, T, Onodera, T, Fukushi, S, Maeda, K, Nakamura-Uchiyama, F, Hashiguchi, T, Hoshino, A, Maenaka, K, Takahashi, Y. | 登録日 | 2022-07-12 | 公開日 | 2023-07-19 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants. Nat Commun, 14, 2023
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6R6D
| [Ru(TAP)2(11,12-CN2-dppz)]2+ bound to d(TCGGCGCCGA)2 | 分子名称: | BARIUM ION, DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), Ruthenium (bis-(tetraazaphenanthrene)) (11,12-dicyano-dipyridophenazine), ... | 著者 | McQuaid, K.T, Hall, J.P, Cardin, C.J. | 登録日 | 2019-03-27 | 公開日 | 2020-05-06 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.838 Å) | 主引用文献 | X-ray Crystal Structures Show DNA Stacking Advantage of Terminal Nitrile Substitution in Ru-dppz Complexes. Chemistry, 24, 2018
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8K2V
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5FPA
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7M32
| Dihydropyrimidine Dehydrogenase (DPD) C671A Mutant Soaked with Uracil and NADPH Anaerobically | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ALANINE, Dihydropyrimidine dehydrogenase [NADP(+)], ... | 著者 | Butrin, A, Beaupre, B, Forouzesh, D, Liu, D, Moran, G. | 登録日 | 2021-03-18 | 公開日 | 2021-06-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Perturbing the Movement of Hydrogens to Delineate and Assign Events in the Reductive Activation and Turnover of Porcine Dihydropyrimidine Dehydrogenase. Biochemistry, 60, 2021
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7MTX
| Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P176 | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-ribopyranosylamine, ... | 著者 | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-05-13 | 公開日 | 2021-06-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P176 To Be Published
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2X86
| AGME bound to ADP-B-mannose | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADP-L-GLYCERO-D-MANNO-HEPTOSE-6-EPIMERASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Kowatz, T, Morrison, J.P, Tanner, M.E, Naismith, J.H. | 登録日 | 2010-03-06 | 公開日 | 2010-03-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The Crystal Structure of the Y140F Mutant of Adp-L-Glycero-D-Manno-Heptose 6-Epimerase Bound to Adp-Beta-D-Mannose Suggests a One Base Mechanism. Protein Sci., 19, 2010
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6F3G
| IRAK4 IN COMPLEX WITH inhibitor | 分子名称: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine | 著者 | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | 登録日 | 2017-11-28 | 公開日 | 2018-05-23 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4. Bioorg. Med. Chem., 26, 2018
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6UIZ
| Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | 分子名称: | ACETATE ION, Streptavidin, {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappaN~1~)iron(4+) | 著者 | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | 登録日 | 2019-10-01 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases. Inorg.Chem., 59, 2020
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6HKQ
| Human GPX4 in complex with covalent Inhibitor ML162 (S enantiomer) | 分子名称: | (2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | 著者 | Hillig, R.C, Moosmayer, D, Hilpmann, A, Hoffmann, L, Schnirch, L, Eaton, J.K, Badock, V, Gradl, S. | 登録日 | 2018-09-07 | 公開日 | 2020-04-01 | 最終更新日 | 2022-12-07 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Crystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162. Acta Crystallogr D Struct Biol, 77, 2021
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7XY4
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7XY3
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6F3D
| IRAK4 IN COMPLEX WITH inhibitor | 分子名称: | 4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION | 著者 | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | 登録日 | 2017-11-28 | 公開日 | 2018-05-23 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4. Bioorg. Med. Chem., 26, 2018
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5UW4
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2XFE
| vCBM60 in complex with galactobiose | 分子名称: | CALCIUM ION, CARBOHYDRATE BINDING MODULE, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose | 著者 | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D.P, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | 登録日 | 2010-05-21 | 公開日 | 2010-06-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules. J.Biol.Chem., 285, 2010
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4WMF
| Crystal structure of catalytically inactive MERS-CoV 3CL protease (C148A) in spacegroup P212121 | 分子名称: | DI(HYDROXYETHYL)ETHER, MERS-CoV 3CL protease, TETRAETHYLENE GLYCOL | 著者 | Lountos, G.T, Needle, D, Waugh, D.S. | 登録日 | 2014-10-08 | 公開日 | 2015-05-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity. Acta Crystallogr.,Sect.D, 71, 2015
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2XJR
| X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae in complex with calcium and Man5(D2-D3) | 分子名称: | CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ... | 著者 | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | 登録日 | 2010-07-06 | 公開日 | 2010-12-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Structural Basis of Flocculin-Mediated Social Behavior in Yeast Proc.Natl.Acad.Sci.USA, 107, 2010
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5KKN
| Crystal structure of human ACC2 BC domain in complex with ND-646, the primary amide of ND-630 | 分子名称: | 2-[1-[(2~{R})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide, Acetyl-CoA carboxylase 2 | 著者 | Wang, R, Paul, D, Tong, L. | 登録日 | 2016-06-22 | 公開日 | 2016-07-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Acetyl-CoA carboxylase inhibition by ND-630 reduces hepatic steatosis, improves insulin sensitivity, and modulates dyslipidemia in rats. Proc.Natl.Acad.Sci.USA, 113, 2016
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2XJT
| X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae in complex with calcium and Man5(D1) | 分子名称: | CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ... | 著者 | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | 登録日 | 2010-07-06 | 公開日 | 2010-12-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structural Basis of Flocculin-Mediated Social Behavior in Yeast Proc.Natl.Acad.Sci.USA, 107, 2010
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6B7H
| Structure of mGluR3 with an agonist | 分子名称: | (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Monn, J.A, Clawson, D.K. | 登録日 | 2017-10-04 | 公開日 | 2018-04-25 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | 主引用文献 | Synthesis and Pharmacological Characterization of C4beta-Amide-Substituted 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1 S,2 S,4 S,5 R,6 S)-2-Amino-4-[(3-methoxybenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2794193), a Highly Potent and Selective mGlu3Receptor Agonist. J. Med. Chem., 61, 2018
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2XLL
| The crystal structure of bilirubin oxidase from Myrothecium verrucaria | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIRUBIN OXIDASE, COPPER (II) ION | 著者 | McNamara, T.P, Lowe, E.D, Cracknell, J.A, Blanford, C.F. | 登録日 | 2010-07-21 | 公開日 | 2011-04-20 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.305 Å) | 主引用文献 | Bilirubin Oxidase from Myrothecium Verrucaria: X- Ray Determination of the Complete Crystal Structure and a Rational Surface Modification for Enhanced Electrocatalytic O(2) Reduction. Dalton Trans, 40, 2011
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2XQK
| X-ray Structure of human butyrylcholinesterase inhibited by pure enantiomer VX-(S) | 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 | Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F. | 登録日 | 2010-09-02 | 公開日 | 2011-03-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents. J.Biol.Chem., 286, 2011
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5UN1
| Crystal structure of GluN1/GluN2B delta-ATD NMDA receptor | 分子名称: | (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Song, X, Gouaux, E. | 登録日 | 2017-01-30 | 公開日 | 2018-02-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | Mechanism of NMDA receptor channel block by MK-801 and memantine. Nature, 556, 2018
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2XQF
| X-ray Structure of human butyrylcholinesterase inhibited by racemic VX | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F. | 登録日 | 2010-09-02 | 公開日 | 2011-03-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents. J.Biol.Chem., 286, 2011
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