7BE1
 
 | | X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (3) | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | | 著者 | Loreto, D, Merlino, A, Ferraro, G. | | 登録日 | 2020-12-22 | | 公開日 | 2021-02-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
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7BE0
 | | X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (2) | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | | 著者 | Loreto, D, Merlino, A, Ferraro, G. | | 登録日 | 2020-12-22 | | 公開日 | 2021-02-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme.
Int J Mol Sci, 22, 2021
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6VOD
 | | HIV-1 wild type protease with GRL-052-16A, a tricyclic cyclohexane fused tetrahydrofuranofuran (CHf-THF) derivative as the P2 ligand | | 分子名称: | (1R,3aS,5R,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | 登録日 | 2020-01-30 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies.
J.Med.Chem., 63, 2020
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4TMX
 | | Translation initiation factor eIF5B (517-858) mutant D533N from C. thermophilum, bound to GTP and sodium | | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Kuhle, B, Ficner, R. | | 登録日 | 2014-06-02 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | A monovalent cation acts as structural and catalytic cofactor in translational GTPases.
Embo J., 33, 2014
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7BDQ
 | | MAPK14 bound with SR300 | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | | 著者 | Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-12-22 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
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7BE4
 | | Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR159 | | 分子名称: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | 著者 | Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-12-22 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
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4TQA
 | | Crystal Structure of a GDP-bound G13D Oncogenic Mutant of Human GTPase KRas | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | | 登録日 | 2014-06-10 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
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4TRI
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7B94
 | | MEK1 in complex with compound 6 | | 分子名称: | 2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one, Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Kack, H, Oster, L. | | 登録日 | 2020-12-14 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Allosteric MEK1 Binders.
Acs Med.Chem.Lett., 12, 2021
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7BE5
 | | Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR276 | | 分子名称: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | 著者 | Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-12-22 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8000524 Å) | | 主引用文献 | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
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6VID
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4TRX
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7BDO
 | | MAPK14 bound with SR302 | | 分子名称: | Mitogen-activated protein kinase 14, ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide | | 著者 | Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-12-22 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
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5HUN
 | | The crystal structure of neuraminidase from A/gyrfalcon/Washington/41088-6/2014 influenza virus | | 分子名称: | CALCIUM ION, Neuraminidase | | 著者 | Yang, H, Carney, P.J, Guo, Z, Chang, J.C, Stevens, J. | | 登録日 | 2016-01-27 | | 公開日 | 2016-04-13 | | 最終更新日 | 2016-06-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular Characterizations of Surface Proteins Hemagglutinin and Neuraminidase from Recent H5Nx Avian Influenza Viruses.
J.Virol., 90, 2016
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8A16
 | | Human PTPRM domains FN3-4, in spacegroup P212121 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor-type tyrosine-protein phosphatase mu, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Caroe, E, Graham, S.C, Sharpe, H.J, Deane, J.E. | | 登録日 | 2022-05-31 | | 公開日 | 2023-03-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Determinants of receptor tyrosine phosphatase homophilic adhesion: Structural comparison of PTPRK and PTPRM extracellular domains.
J.Biol.Chem., 299, 2023
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8A17
 | | Human PTPRM domains FN3-4, in spacegroup P3221 | | 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, Receptor-type tyrosine-protein phosphatase mu, ... | | 著者 | Shamin, M, Graham, S.C, Sharpe, H.J, Deane, J.E. | | 登録日 | 2022-05-31 | | 公開日 | 2023-03-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | | 主引用文献 | Determinants of receptor tyrosine phosphatase homophilic adhesion: Structural comparison of PTPRK and PTPRM extracellular domains.
J.Biol.Chem., 299, 2023
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4SGA
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6VPL
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6HIT
 | | The crystal structure of haemoglobin from Atlantic cod | | 分子名称: | Hemoglobin alpha 2 chain, Hemoglobin beta 4 chain, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Helland, R, Bjorkeng, E.K, Rothweiler, U, Sydnes, M.O, Pampanin, D.M. | | 登録日 | 2018-08-30 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The crystal structure of haemoglobin from Atlantic cod.
Acta Crystallogr.,Sect.F, 75, 2019
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6VRV
 | | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model | | 分子名称: | 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1 | | 著者 | Barberis, C.E, Batchelor, J.D, Liu, J. | | 登録日 | 2020-02-10 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model.
Bioorg.Med.Chem.Lett., 30, 2020
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8S8C
 | | Structure of Kras in complex with inhibitor MK-1084 | | 分子名称: | (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Day, P.J, Cleasby, A. | | 登録日 | 2024-03-06 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor.
J.Med.Chem., 67, 2024
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4TWV
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8RRP
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5HZQ
 | | Crystal structure of cellular retinoic acid binding protein 2 (CRABP2)-aryl fluorosulfate covalent conjugate | | 分子名称: | 4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate, Cellular retinoic acid-binding protein 2, GLYCEROL | | 著者 | Chen, W, Mortenson, D.E, Wilson, I.A, Kelly, J.W. | | 登録日 | 2016-02-02 | | 公開日 | 2016-06-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Arylfluorosulfates Inactivate Intracellular Lipid Binding Protein(s) through Chemoselective SuFEx Reaction with a Binding Site Tyr Residue.
J.Am.Chem.Soc., 138, 2016
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4TY7
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