5GGM
 
 | | The NMR structure of calmodulin in CTAB reverse micelles | | 分子名称: | CALCIUM ION, Calmodulin, TERBIUM(III) ION | | 著者 | Xu, G, Cheng, K, Wu, Q, Liu, M, Li, C. | | 登録日 | 2016-06-16 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The NMR structure of calmodulin in CTAB reverse micelles
To Be Published
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2FG8
 | | Structure of Human Ferritin L Chain | | 分子名称: | CESIUM ION, Ferritin light chain | | 著者 | Wang, Z.M, Li, C, Ellenburg, M.P, Ruble, J.R, Ho, J.X, Carter, D.C. | | 登録日 | 2005-12-21 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of human ferritin L chain.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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7NFV
 | | Structure of SARS-CoV-2 Papain-like protease PLpro | | 分子名称: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Srinivasan, V, Gunther, S, Reinke, P, Werner, N, Falke, S, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Sprenger, J, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Koua, F, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Ewert, W, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Ehrt, C, Rarey, M, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Hinrichs, W, Meents, A, Betzel, C. | | 登録日 | 2021-02-07 | | 公開日 | 2021-02-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
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8OMV
 | | Crystal structure of the constitutively active S117E/S181E mutant of human IKK2 | | 分子名称: | Inhibitor of nuclear factor kappa-B kinase subunit beta | | 著者 | McEwen, A.G, Li, C, Moro, S, Poussin-Courmontagne, P, Zanier, K. | | 登録日 | 2023-03-31 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (4.16 Å) | | 主引用文献 | Molecular mechanism of IKK catalytic dimer docking to NF-kappa B substrates.
Nat Commun, 15, 2024
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2FFX
 | | Structure of Human Ferritin L. Chain | | 分子名称: | CADMIUM ION, SULFATE ION, ferritin light chain | | 著者 | Wang, Z.M, Li, C, Ellenburg, M.P, Soitsman, E.M, Ruble, J.R, Wright, B.S, Ho, J.X, Carter, D.C. | | 登録日 | 2005-12-20 | | 公開日 | 2006-07-11 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of human ferritin L chain
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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4JL7
 | | Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1 | | 分子名称: | CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | | 著者 | Lu, G, Wu, Y, Jiang, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | | 登録日 | 2013-03-12 | | 公開日 | 2013-10-23 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Structural Insights into Neutrophilic Migration Revealed by the Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1.
Plos One, 8, 2013
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2FG4
 | | Structure of Human Ferritin L Chain | | 分子名称: | CADMIUM ION, Ferritin light chain | | 著者 | Wang, Z, Li, C, Ellenburg, M, Ruble, J, Ho, J.X, Carter, D.C. | | 登録日 | 2005-12-21 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of human ferritin L chain.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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4LA2
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7OFU
 | | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester | | 分子名称: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | | 登録日 | 2021-05-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
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7OFS
 | | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol | | 分子名称: | 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ... | | 著者 | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | | 登録日 | 2021-05-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
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7OFT
 | | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde | | 分子名称: | CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ... | | 著者 | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | | 登録日 | 2021-05-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
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4LA3
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2I8U
 | | GDP-mannose mannosyl hydrolase-calcium-GDP product complex | | 分子名称: | CALCIUM ION, GDP-mannose mannosyl hydrolase, GUANOSINE-5'-DIPHOSPHATE | | 著者 | Zou, Y, Li, C, Brunzelle, J.S, Nair, S.K. | | 登録日 | 2006-09-03 | | 公開日 | 2007-06-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Molecular basis for substrate selectivity and specificity by an LPS biosynthetic enzyme
Biochemistry, 46, 2007
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2I8T
 | | GDP-mannose mannosyl hydrolase-calcium-GDP-mannose complex | | 分子名称: | CALCIUM ION, GDP-mannose mannosyl hydrolase, GLYCEROL, ... | | 著者 | Zou, Y, Li, C, Brunzelle, J.S, Nair, S.K. | | 登録日 | 2006-09-03 | | 公開日 | 2007-06-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Molecular basis for substrate selectivity and specificity by an LPS biosynthetic enzyme
Biochemistry, 46, 2007
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4LMM
 | | Crystal structure of NHERF1 PDZ1 domain complexed with the CXCR2 C-terminal tail in P21 space group | | 分子名称: | ACETIC ACID, CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | | 著者 | Jiang, Y, Lu, G, Wu, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | | 登録日 | 2013-07-10 | | 公開日 | 2014-01-15 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping.
Plos One, 8, 2013
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4P0C
 | | Crystal Structure of NHERF2 PDZ1 Domain in Complex with LPA2 | | 分子名称: | CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF2/Lysophosphatidic acid receptor 2 chimeric protein, THIOCYANATE ION | | 著者 | Holcomb, J, Jiang, Y, Lu, G, Trescott, L, Brunzelle, J, Sirinupong, N, Li, C, Naren, A, Yang, Z. | | 登録日 | 2014-02-20 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.339 Å) | | 主引用文献 | Structural insights into PDZ-mediated interaction of NHERF2 and LPA2, a cellular event implicated in CFTR channel regulation.
Biochem.Biophys.Res.Commun., 446, 2014
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4MZ4
 | | Discovery of an Irreversible HCV NS5B Polymerase Inhibitor | | 分子名称: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase | | 著者 | Zeng, Q, Anilkumar, G.N, Rosenblum, S.B, Huang, H.-C, Lesburg, C.A, Jiang, Y, Selyutin, O, Chan, T.-Y, Bennett, F, Chen, K.X, Venkatraman, S, Sannigrahi, M, Velazquez, F, Duca, J.S, Gavalas, S, Huang, Y, Pu, H, Wang, L, Pinto, P, Vibulbhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Li, C, Hesk, D, Gesell, J, Sorota, S, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | | 登録日 | 2013-09-29 | | 公開日 | 2013-12-11 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Discovery of an irreversible HCV NS5B polymerase inhibitor.
Bioorg.Med.Chem.Lett., 23, 2013
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4MPA
 | | Crystal structure of NHERF1-CXCR2 signaling complex in P21 space group | | 分子名称: | ACETIC ACID, CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1, ... | | 著者 | Jiang, Y, Lu, G, Wu, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | | 登録日 | 2013-09-12 | | 公開日 | 2014-01-15 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.097 Å) | | 主引用文献 | New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping.
Plos One, 8, 2013
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7XQE
 | | Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039 | | 分子名称: | 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide, ETHANOL, GLYCEROL, ... | | 著者 | Wu, X, Li, C, Zhang, Y, Xu, Y. | | 登録日 | 2022-05-07 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Discovery and pharmacological characterization of 1,2,3,4-tetrahydroquinoline derivatives as ROR gamma inverse agonists against prostate cancer.
Acta Pharmacol.Sin., 2024
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4PQW
 | | Crystal Structure of Phospholipase C beta 3 in Complex with PDZ1 of NHERF1 | | 分子名称: | CHLORIDE ION, NICKEL (II) ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | | 著者 | Jiang, Y, Wang, S, Holcomb, J, Trescott, L, Guan, X, Hou, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | | 登録日 | 2014-03-04 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Crystallographic analysis of NHERF1-PLC beta 3 interaction provides structural basis for CXCR2 signaling in pancreatic cancer.
Biochem.Biophys.Res.Commun., 446, 2014
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4N6X
 | | Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1 | | 分子名称: | CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1/Chemokine Receptor CXCR2 fusion protein | | 著者 | Lu, G, Wu, Y, Jiang, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | | 登録日 | 2013-10-14 | | 公開日 | 2014-01-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.051 Å) | | 主引用文献 | New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping.
Plos One, 8, 2013
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8UDV
 | | The X-RAY co-crystal structure of human FGFR3 V555M and Compound 17 | | 分子名称: | 1,2-ETHANEDIOL, 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, Fibroblast growth factor receptor 3, ... | | 著者 | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | | 登録日 | 2023-09-29 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.348 Å) | | 主引用文献 | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
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8UDU
 | | The X-RAY co-crystal structure of human FGFR3 and Compound 17 | | 分子名称: | 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, CHLORIDE ION, Fibroblast growth factor receptor 3 | | 著者 | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | | 登録日 | 2023-09-29 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.737 Å) | | 主引用文献 | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
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8UDT
 | | The X-RAY co-crystal structure of human FGFR3 and KIN-3248 | | 分子名称: | 3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, D-MALATE, Fibroblast growth factor receptor 3 | | 著者 | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | | 登録日 | 2023-09-29 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.829 Å) | | 主引用文献 | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
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4PV5
 | | Crystal structure of mouse glyoxalase I in complexed with 18-beta-glycyrrhetinic acid | | 分子名称: | (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, Lactoylglutathione lyase, ZINC ION | | 著者 | Zhang, H, Zhai, J, Zhang, L.P, Zhao, Y.N, Li, C, Hu, X.P. | | 登録日 | 2014-03-15 | | 公開日 | 2015-03-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for 18-beta-glycyrrhetinic acid as a novel non-GSH analog glyoxalase I inhibitor
Acta Pharmacol.Sin., 36, 2015
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