1YC0
| short form HGFA with first Kunitz domain from HAI-1 | 分子名称: | Hepatocyte growth factor activator, Kunitz-type protease inhibitor 1, PHOSPHATE ION | 著者 | Shia, S, Stamos, J, Kirchhofer, D, Fan, B, Wu, J, Corpuz, R.T, Santell, L, Lazarus, R.A, Eigenbrot, C. | 登録日 | 2004-12-21 | 公開日 | 2005-02-15 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Conformational lability in serine protease active sites: structures of hepatocyte growth factor activator (HGFA) alone and with the inhibitory domain from HGFA inhibitor-1B. J.Mol.Biol., 346, 2005
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1YBW
| Protease domain of HGFA with no inhibitor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hepatocyte growth factor activator precursor | 著者 | Shia, S, Stamos, J, Kirchhofer, D, Fan, B, Wu, J, Corpuz, R.T, Santell, L, Lazarus, R.A, Eigenbrot, C. | 登録日 | 2004-12-21 | 公開日 | 2005-02-15 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Conformational lability in serine protease active sites: structures of hepatocyte growth factor activator (HGFA) alone and with the inhibitory domain from HGFA inhibitor-1B. J.Mol.Biol., 346, 2005
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4GVJ
| Tyk2 (JH1) in complex with adenosine di-phosphate | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S. | 登録日 | 2012-08-30 | 公開日 | 2013-08-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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4GMY
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4PP9
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4PPC
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4PPB
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4PPA
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3K2U
| Crystal structure of HGFA in complex with the allosteric inhibitory antibody Fab40 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody, Fab fragment, ... | 著者 | Ganesan, R, Eigenbrot, C, Shia, S. | 登録日 | 2009-09-30 | 公開日 | 2009-12-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Unraveling the allosteric mechanism of serine protease inhibition by an antibody. Structure, 17, 2009
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2R0L
| Short Form HGFA with Inhibitory Fab75 | 分子名称: | Hepatocyte growth factor activator, antibody heavy chain, Fab portion only, ... | 著者 | Eigenbrot, C, Shia, S. | 登録日 | 2007-08-20 | 公開日 | 2007-12-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural insight into distinct mechanisms of protease inhibition by antibodies. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2R0K
| Protease domain of HGFA with inhibitor Fab58 | 分子名称: | Hepatocyte growth factor activator, antibody heavy chain of Fab58, Fab portion only, ... | 著者 | Eigenbrot, C, Shia, S. | 登録日 | 2007-08-20 | 公開日 | 2007-12-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.51 Å) | 主引用文献 | Structural insight into distinct mechanisms of protease inhibition by antibodies. Proc.Natl.Acad.Sci.Usa, 104, 2007
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5WL0
| Co-crystal structure of Influenza A H3N2 PB2 (241-741) bound to VX-787 | 分子名称: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, Polymerase basic protein 2 | 著者 | Ma, X, Shia, S. | 登録日 | 2017-07-25 | 公開日 | 2017-09-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis for therapeutic inhibition of influenza A polymerase PB2 subunit. Sci Rep, 7, 2017
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3P0Y
| anti-EGFR/HER3 Fab DL11 in complex with domain III of EGFR extracellular region | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ... | 著者 | Eigenbrot, C, Shia, S. | 登録日 | 2010-09-29 | 公開日 | 2011-10-26 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies. Cancer Cell, 20, 2011
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3P0V
| anti-EGFR/HER3 Fab DL11 alone | 分子名称: | CALCIUM ION, Fab DL11 heavy chain, Fab DL11 light chain | 著者 | Eigenbrot, C, Shia, S. | 登録日 | 2010-09-29 | 公開日 | 2011-10-19 | 最終更新日 | 2012-03-21 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies. Cancer Cell, 20, 2011
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3P11
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4MF0
| ITK kinase domain in complex with benzothiazole inhibitor compound 12a (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE (12a) | 分子名称: | (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide, Tyrosine-protein kinase ITK/TSK | 著者 | Eigenbrot, C, Shia, S. | 登録日 | 2013-08-27 | 公開日 | 2013-11-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK). Bioorg.Med.Chem.Lett., 23, 2013
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4MF1
| ITK kinase domain in complex with benzothiazole inhibitor 12b (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(1H-PYRAZOL-4-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE | 分子名称: | (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide, Tyrosine-protein kinase ITK/TSK | 著者 | Eigenbrot, C, Shia, S. | 登録日 | 2013-08-27 | 公開日 | 2013-11-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.113 Å) | 主引用文献 | Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK). Bioorg.Med.Chem.Lett., 23, 2013
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2WUB
| Crystal structure of HGFA in complex with the allosteric non- inhibitory antibody Fab40.deltaTrp | 分子名称: | FAB FRAGMENT FAB40.DELTATRP HEAVY CHAIN, FAB FRAGMENT FAB40.DELTATRP LIGHT CHAIN, HEPATOCYTE GROWTH FACTOR ACTIVATOR LONG CHAIN, ... | 著者 | Ganesan, R, Eigenbrot, C, Shia, S. | 登録日 | 2009-10-01 | 公開日 | 2009-12-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Unraveling the Allosteric Mechanism of Serine Protease Inhibition by an Antibody Structure, 17, 2009
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2WUC
| Crystal structure of HGFA in complex with the allosteric non- inhibitory antibody Fab40.deltaTrp and Ac-KQLR-chloromethylketone | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-KQLR-CHLOROMETHYLKETONE INHIBITOR, FAB FRAGMENT FAB40.DELTATRP HEAVY CHAIN, ... | 著者 | Ganesan, R, Eigenbrot, C, Shia, S. | 登録日 | 2009-10-01 | 公開日 | 2009-12-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Unraveling the Allosteric Mechanism of Serine Protease Inhibition by an Antibody Structure, 17, 2009
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4IVC
| JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE | 分子名称: | (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile, Tyrosine-protein kinase JAK1 | 著者 | Eigenbrot, C, Shia, S. | 登録日 | 2013-01-22 | 公開日 | 2013-05-22 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2. J.Med.Chem., 56, 2013
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4IVA
| JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE | 分子名称: | Tyrosine-protein kinase JAK2, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | 著者 | Eigenbrot, C, Shia, S. | 登録日 | 2013-01-22 | 公開日 | 2013-05-22 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2. J.Med.Chem., 56, 2013
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4NMX
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4K77
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5VL7
| PCSK9 complex with Fab33 | 分子名称: | Fab33 heavy chain, Fab33 light chain, Proprotein convertase subtilisin/kexin type 9 | 著者 | Eigenbrot, C, Shia, S. | 登録日 | 2017-04-25 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists. Nat. Struct. Mol. Biol., 24, 2017
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6P9S
| E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 7 | 分子名称: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | 著者 | Ma, X, Shia, S, Ornelas, E. | 登録日 | 2019-06-10 | 公開日 | 2020-03-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis. J.Am.Chem.Soc., 142, 2020
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