3LB6
 
 | | The structure of IL-13 in complex with IL-13Ralpha2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Interleukin-13, ... | | 著者 | Lupardus, P.J, Garcia, K.C, Birnbaum, M.E. | | 登録日 | 2010-01-07 | | 公開日 | 2010-03-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Molecular basis for shared cytokine recognition revealed in the structure of an unusually high affinity complex between IL-13 and IL-13Ralpha2.
Structure, 18, 2010
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3EEB
 | | Structure of the V. cholerae RTX cysteine protease domain | | 分子名称: | INOSITOL HEXAKISPHOSPHATE, RTX toxin RtxA, SODIUM ION | | 著者 | Lupardus, P.J, Shen, A, Bogyo, M, Garcia, K.C. | | 登録日 | 2008-09-04 | | 公開日 | 2008-10-21 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Small molecule-induced allosteric activation of the Vibrio cholerae RTX cysteine protease domain
Science, 322, 2008
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3DUH
 | | Structure of Interleukin-23 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha | | 著者 | Lupardus, P.J, Garcia, K.C. | | 登録日 | 2008-07-17 | | 公開日 | 2008-08-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The structure of interleukin-23 reveals the molecular basis of p40 subunit sharing with interleukin-12.
J.Mol.Biol., 382, 2008
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3PA8
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3PEE
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3E0G
 | | Structure of the Leukemia Inhibitory Factor Receptor (LIF-R) domains D1-D5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, Leukemia inhibitory factor receptor, ... | | 著者 | Lupardus, P.J, Garcia, K.C. | | 登録日 | 2008-07-31 | | 公開日 | 2008-09-23 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural organization of a full-length gp130/LIF-R cytokine receptor transmembrane complex.
Mol.Cell, 31, 2008
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3GCD
 | | Structure of the V. cholerae RTX cysteine protease domain in complex with an aza-Leucine peptide inhibitor | | 分子名称: | INOSITOL HEXAKISPHOSPHATE, RTX toxin RtxA, SODIUM ION, ... | | 著者 | Lupardus, P.J, Garcia, K.C, Shen, A, Bogyo, M. | | 登録日 | 2009-02-21 | | 公開日 | 2009-05-26 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Mechanistic and structural insights into the proteolytic activation of Vibrio cholerae MARTX toxin.
Nat.Chem.Biol., 5, 2009
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4EHZ
 | | The Jak1 kinase domain in complex with inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | | 著者 | Lupardus, P.J, Steffek, M. | | 登録日 | 2012-04-04 | | 公開日 | 2012-07-04 | | 最終更新日 | 2013-01-23 | | 実験手法 | X-RAY DIFFRACTION (2.174 Å) | | 主引用文献 | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
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5IXI
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6O94
 | | Structure of the IRAK4 kinase domain with compound 17 | | 分子名称: | CALCIUM ION, Interleukin-1 receptor-associated kinase 4, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | | 著者 | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | | 登録日 | 2019-03-13 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
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6O95
 | | Structure of the IRAK4 kinase domain with compound 41 | | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | | 著者 | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | | 登録日 | 2019-03-13 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
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5KDT
 | | Structure of the human GluN1/GluN2A LBD in complex with GNE0723 | | 分子名称: | (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile, ACETATE ION, GLUTAMIC ACID, ... | | 著者 | Wallweber, H.J.A, Lupardus, P.J. | | 登録日 | 2016-06-08 | | 公開日 | 2016-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J. Med. Chem., 59, 2016
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5KCJ
 | | Structure of the human GluN1/GluN2A LBD in complex with GNE6901 | | 分子名称: | 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ACETATE ION, GLUTAMIC ACID, ... | | 著者 | Wallweber, H.J.A, Lupardus, P.J. | | 登録日 | 2016-06-06 | | 公開日 | 2016-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016
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4I5C
 | | The Jak1 kinase domain in complex with inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 3-oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6H)-yl)piperidin-1-yl]propanenitrile, Tyrosine-protein kinase JAK1 | | 著者 | Fong, R, Lupardus, P.J. | | 登録日 | 2012-11-28 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Novel triazolo-pyrrolopyridines as inhibitors of Janus kinase 1.
Bioorg.Med.Chem.Lett., 23, 2013
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6DWA
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6DWC
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6DW2
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6DWI
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6E2P
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6E2Q
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4PO6
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5TPA
 | | Structure of the human GluN1/GluN2A LBD in complex with compound 9 (GNE3500) | | 分子名称: | (1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile, GLUTAMIC ACID, GLYCINE, ... | | 著者 | Wallweber, H.J.A, Lupardus, P.J. | | 登録日 | 2016-10-20 | | 公開日 | 2016-11-30 | | 最終更新日 | 2017-02-01 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile.
ACS Med Chem Lett, 8, 2017
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6UYA
 | | Crystal structure of Compound 19 bound to IRAK4 | | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | | 著者 | Kiefer, J.R, Bryan, M.C, Lupardus, P.J, Zarrin, A.A, Rajapaksa, N.S, Gobbi, A, Drobnick, J, Kolesnikov, A, Liang, J, Do, S. | | 登録日 | 2019-11-12 | | 公開日 | 2019-11-20 | | 最終更新日 | 2020-04-01 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Discovery of Potent Benzolactam IRAK4 Inhibitors with Robust in Vivo Activity.
Acs Med.Chem.Lett., 11, 2020
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5TP9
 | | Structure of the human GluN1/GluN2A LBD in complex with compound 2 (GNE9178) | | 分子名称: | 7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, ACETATE ION, CALCIUM ION, ... | | 著者 | Wallweber, H.J.A, Lupardus, P.J. | | 登録日 | 2016-10-20 | | 公開日 | 2016-11-30 | | 最終更新日 | 2017-02-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile.
ACS Med Chem Lett, 8, 2017
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6WDQ
 | | IL23/IL23R/IL12Rb1 signaling complex | | 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, Interleukin-12 receptor subunit beta-1, ... | | 著者 | Jude, K.M, Ely, L.K, Glassman, C.R, Thomas, C, Spangler, J.B, Lupardus, P.J, Garcia, K.C. | | 登録日 | 2020-04-01 | | 公開日 | 2021-02-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structural basis for IL-12 and IL-23 receptor sharing reveals a gateway for shaping actions on T versus NK cells.
Cell, 184, 2021
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