4LNJ
 
 | | Structure of Escherichia coli Threonine Aldolase in Unliganded Form | | 分子名称: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Low-specificity L-threonine aldolase, ... | | 著者 | Safo, M.K, Contestabile, R, Remesh, S.G. | | 登録日 | 2013-07-11 | | 公開日 | 2013-11-06 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase.
Febs J., 281, 2014
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4LNM
 | | Structure of Escherichia coli Threonine Aldolase in Complex with Serine | | 分子名称: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Safo, M.K, Contestabile, R, Remesh, S.G. | | 登録日 | 2013-07-11 | | 公開日 | 2013-11-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase.
Febs J., 281, 2014
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4PVV
 | | Micobacterial Adenosine Kinase in complex with inhibitor | | 分子名称: | 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Adenosine kinase | | 著者 | Pichova, I, Hocek, M, Dostal, J, Rezacova, P. | | 登録日 | 2014-03-18 | | 公開日 | 2014-11-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides
J.Med.Chem., 57, 2014
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7Z94
 | | Crystal structure of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with indole | | 分子名称: | DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, INDOLE, ... | | 著者 | Kratky, J, Weisse, R, Strater, N. | | 登録日 | 2022-03-19 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7Z4X
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7Z98
 | | Crystal structure of F191M variant Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfide | | 分子名称: | (methylsulfanyl)benzene, 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Kratky, J, Weisse, R, Strater, N. | | 登録日 | 2022-03-20 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7ZCA
 | | Crystal structure of the F191M/F201A variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with benzyl phenyl sulfoxide | | 分子名称: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein), ... | | 著者 | Kratky, J, Weisse, R, Strater, N. | | 登録日 | 2022-03-26 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7Z99
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7Z97
 | | Crystal structure of the F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with 6-bromoindole | | 分子名称: | 1,2-ETHANEDIOL, 6-bromo-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Kratky, J, Weisse, R, Strater, N. | | 登録日 | 2022-03-20 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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6CQY
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with EMPA and HI-6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | | 著者 | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | | 登録日 | 2018-03-16 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.449 Å) | | 主引用文献 | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
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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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6CQT
 | | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by (-) Stereoisomer of VX | | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | | 登録日 | 2018-03-16 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.273 Å) | | 主引用文献 | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
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6CQZ
 | | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by VX | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | 著者 | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | | 登録日 | 2018-03-16 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.216 Å) | | 主引用文献 | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
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8D5D
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8D88
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6Y1N
 | | Crystal structure of the phosphonate-modified A.5 antibody FAB fragment | | 分子名称: | 8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE, FAB A.5 Heavy chain, FAB A.5 Light Chain | | 著者 | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | | 登録日 | 2020-02-12 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
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3B7N
 | | Crystal Structure of Yeast Sec14 Homolog Sfh1 in Complex with Phosphatidylinositol | | 分子名称: | (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ACETATE ION, PHOSPHATE ION, ... | | 著者 | Ortlund, E.A, Schaaf, G, Redinbo, M.R, Bankaitis, V. | | 登録日 | 2007-10-31 | | 公開日 | 2008-02-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Functional anatomy of phospholipid binding and regulation of phosphoinositide homeostasis by proteins of the sec14 superfamily
Mol.Cell, 29, 2008
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8D1Y
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8D1P
 | | Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 7-Deaza-2'-C-methyladenosine | | 分子名称: | 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Chaperone DnaK, SULFATE ION | | 著者 | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W. | | 登録日 | 2022-05-27 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
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8D24
 | | Crystal structure of Plasmodium falciparum GRP78-NBD in complex with VER155008 | | 分子名称: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Chaperone DnaK, SULFATE ION | | 著者 | Mrozek, A, Park, H.W. | | 登録日 | 2022-05-27 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
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8D20
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8D1S
 | | Crystal structure of Plasmodium falciparum GRP78 in complex with Toyocamycin | | 分子名称: | 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Chaperone DnaK, SULFATE ION | | 著者 | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W. | | 登録日 | 2022-05-27 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
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8D22
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6CQX
 | | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by VX(+) | | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | | 登録日 | 2018-03-16 | | 公開日 | 2018-12-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
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6CQW
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(-) and HI-6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | | 著者 | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | | 登録日 | 2018-03-16 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.278 Å) | | 主引用文献 | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
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