8S8X
 
 | | SARS-CoV-2 nsp10-16 methyltransferase in complex with Toyocamycin and m7GpppA-RNA (Cap0-RNA) | | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ... | | 著者 | Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. | | 登録日 | 2024-03-07 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
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5F9E
 | | Structure of Protein Kinase C theta with compound 10: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one | | 分子名称: | 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one, Protein kinase C theta type | | 著者 | Klein, M. | | 登録日 | 2015-12-09 | | 公開日 | 2016-05-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery and optimization of 1,7-disubstituted-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-ones as potent and selective PKC theta inhibitors.
Bioorg.Med.Chem., 24, 2016
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4WQK
 | | Crystal structure of aminoglycoside nucleotidylyltransferase ANT(2")-Ia, apo form | | 分子名称: | 2''-aminoglycoside nucleotidyltransferase, CHLORIDE ION, GLYCEROL, ... | | 著者 | Cox, G, Stogios, P.J, Savchenko, A, Wright, G.D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2014-10-22 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.482 Å) | | 主引用文献 | Structural and Molecular Basis for Resistance to Aminoglycoside Antibiotics by the Adenylyltransferase ANT(2)-Ia.
Mbio, 6, 2015
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4WQL
 | | Crystal structure of aminoglycoside nucleotidylyltransferase ANT(2")-Ia, kanamycin-bound | | 分子名称: | 2''-aminoglycoside nucleotidyltransferase, GLYCEROL, ISOPROPYL ALCOHOL, ... | | 著者 | Cox, G, Stogios, P.J, Savchenko, A, Wright, G.D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2014-10-22 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Structural and Molecular Basis for Resistance to Aminoglycoside Antibiotics by the Adenylyltransferase ANT(2)-Ia.
Mbio, 6, 2015
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5HG1
 | | Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine | | 分子名称: | 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, CITRATE ANION, ... | | 著者 | Campobasso, N, Zhao, B, Smallwood, A. | | 登録日 | 2016-01-07 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
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8RV5
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6G9M
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6G9K
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5L1I
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6G9J
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6GE0
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6SGD
 | | Nek2 kinase covalently bound to 2-arylamino-6-ethynylpurine inhibitor 24 | | 分子名称: | 4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SODIUM ION, ... | | 著者 | Richards, M.W, Mas-Droux, C.P, Bayliss, R. | | 登録日 | 2019-08-04 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase.
Rsc Med Chem, 11, 2020
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6FL3
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP5 and ADP | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ... | | 著者 | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | 登録日 | 2018-01-25 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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6FJK
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | | 著者 | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | 登録日 | 2018-01-22 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.025 Å) | | 主引用文献 | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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6SGK
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7RJ7
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6M7P
 | | Human DNA polymerase eta extension complex with cdA at the -2 position | | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*TP*GP*TP*GP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*TP*CP*(02I)P*CP*AP*CP*AP*CP*T)-3'), ... | | 著者 | Gregory, M.T, Yang, W. | | 登録日 | 2018-08-20 | | 公開日 | 2018-09-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Bypassing a 8,5'-cyclo-2'-deoxyadenosine lesion by human DNA polymerase eta at atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5NHF
 | | Human Erk2 with an Erk1/2 inhibitor | | 分子名称: | 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | 登録日 | 2017-03-21 | | 公開日 | 2017-04-19 | | 最終更新日 | 2017-05-10 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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5NGU
 | | Human Erk2 with an Erk1/2 inhibitor | | 分子名称: | 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | 登録日 | 2017-03-20 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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1AJS
 | | REFINEMENT AND COMPARISON OF THE CRYSTAL STRUCTURES OF PIG CYTOSOLIC ASPARTATE AMINOTRANSFERASE AND ITS COMPLEX WITH 2-METHYLASPARTATE | | 分子名称: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, ASPARTATE AMINOTRANSFERASE | | 著者 | Rhee, S, Silva, M.M, Hyde, C.C, Rogers, P.H, Metzler, C.M, Metzler, D.E, Arnone, A. | | 登録日 | 1997-05-08 | | 公開日 | 1997-08-20 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Refinement and comparisons of the crystal structures of pig cytosolic aspartate aminotransferase and its complex with 2-methylaspartate.
J.Biol.Chem., 272, 1997
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7UO4
 | | SARS-CoV-2 replication-transcription complex bound to Remdesivir triphosphate, in a pre-catalytic state | | 分子名称: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | | 著者 | Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A. | | 登録日 | 2022-04-12 | | 公開日 | 2022-11-30 | | 最終更新日 | 2023-03-08 | | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | | 主引用文献 | Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
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7JHI
 | | Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 iodide-derivative | | 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, CHLORIDE ION, ... | | 著者 | Hao, Y, Huang, X. | | 登録日 | 2020-07-20 | | 公開日 | 2020-11-18 | | 最終更新日 | 2021-07-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structures and mechanism of human glycosyltransferase beta 1,3-N-acetylglucosaminyltransferase 2 (B3GNT2), an important player in immune homeostasis.
J.Biol.Chem., 296, 2020
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7JHO
 | | Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with UDP | | 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, CHLORIDE ION, ... | | 著者 | Hao, Y, Huang, X. | | 登録日 | 2020-07-21 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structures and mechanism of human glycosyltransferase beta 1,3-N-acetylglucosaminyltransferase 2 (B3GNT2), an important player in immune homeostasis.
J.Biol.Chem., 296, 2020
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7JHK
 | | Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 in unliganded form | | 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, CHLORIDE ION, ... | | 著者 | Hao, Y, Huang, X. | | 登録日 | 2020-07-20 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3436 Å) | | 主引用文献 | Structures and mechanism of human glycosyltransferase beta 1,3-N-acetylglucosaminyltransferase 2 (B3GNT2), an important player in immune homeostasis.
J.Biol.Chem., 296, 2020
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1S4P
 | | Crystal structure of yeast alpha1,2-mannosyltransferase Kre2p/Mnt1p: ternary complex with GDP/Mn and methyl-alpha-mannoside acceptor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Lobsanov, Y.D, Romero, P.A, Sleno, B, Yu, B, Yip, P, Herscovics, A, Howell, P.L. | | 登録日 | 2004-01-16 | | 公開日 | 2004-05-04 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structure of Kre2p/Mnt1p: A YEAST {alpha}1,2-MANNOSYLTRANSFERASE INVOLVED IN MANNOPROTEIN BIOSYNTHESIS
J.Biol.Chem., 279, 2004
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