3GJS
 
 | | Caspase-3 Binds Diverse P4 Residues in Peptides | | Descriptor: | Ac-YVAD-Cho inhibitor, Caspase-3 subunit p12, Caspase-3 subunit p17 | | Authors: | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 2009-03-09 | | Release date: | 2009-03-24 | | Last modified: | 2011-08-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
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3GJR
 | | Caspase-3 Binds Diverse P4 Residues in Peptides | | Descriptor: | Caspase-3 subunit p12, Caspase-3 subunit p17, GLYCEROL, ... | | Authors: | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 2009-03-09 | | Release date: | 2009-03-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
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3GJT
 | | Caspase-3 Binds Diverse P4 Residues in Peptides | | Descriptor: | Caspase-3 subunit p12, Caspase-3 subunit p17, peptide inhibitor | | Authors: | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 2009-03-09 | | Release date: | 2009-03-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
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3GJQ
 | | Caspase-3 Binds Diverse P4 Residues in Peptides | | Descriptor: | Caspase-3 subunit p12, Caspase-3 subunit p17, peptide inhibitor | | Authors: | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 2009-03-09 | | Release date: | 2009-03-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
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2H65
 | | Crystal strusture of caspase-3 with inhibitor Ac-VDVAD-Cho | | Descriptor: | Ac-VDVAD-Cho, caspase-3, p12 subunit, ... | | Authors: | Fang, B, Boross, P.I, Tozser, J, Weber, I.T. | | Deposit date: | 2006-05-30 | | Release date: | 2006-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition
J.Mol.Biol., 360, 2006
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2H5I
 | | Crystal structure of caspase-3 with inhibitor Ac-DEVD-Cho | | Descriptor: | Ac-DEV(ASJ), caspase-3, p12 subunit, ... | | Authors: | Fang, B, Boross, P.I, Tozser, J, Weber, I.T. | | Deposit date: | 2006-05-26 | | Release date: | 2006-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition
J.Mol.Biol., 360, 2006
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2H5J
 | | Crystal strusture of caspase-3 with inhibitor Ac-DMQD-Cho | | Descriptor: | Ac-DMQD-Cho, caspase-3, p12 subunit, ... | | Authors: | Fang, B, Boross, P.I, Tozser, J, Weber, I.T. | | Deposit date: | 2006-05-26 | | Release date: | 2006-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition
J.Mol.Biol., 360, 2006
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8KFO
 | | Crystal structure of BSA in complex with B3 | | Descriptor: | 6-[(~{E})-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-4-yl]ethenyl]-~{N},~{N}-dimethyl-naphthalen-2-amine, Albumin | | Authors: | Chen, X, Ge, Y.H, Yang, H, Fang, B, Li, L. | | Deposit date: | 2023-08-16 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Bioinspired two-stage assembled photosensitive protein engineering for tumor-specific mitochondrial targeted phototherapy
To Be Published
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1YC0
 | | short form HGFA with first Kunitz domain from HAI-1 | | Descriptor: | Hepatocyte growth factor activator, Kunitz-type protease inhibitor 1, PHOSPHATE ION | | Authors: | Shia, S, Stamos, J, Kirchhofer, D, Fan, B, Wu, J, Corpuz, R.T, Santell, L, Lazarus, R.A, Eigenbrot, C. | | Deposit date: | 2004-12-21 | | Release date: | 2005-02-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 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 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hepatocyte growth factor activator precursor | | Authors: | Shia, S, Stamos, J, Kirchhofer, D, Fan, B, Wu, J, Corpuz, R.T, Santell, L, Lazarus, R.A, Eigenbrot, C. | | Deposit date: | 2004-12-21 | | Release date: | 2005-02-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 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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8WDD
 | | Crystal structure of BSA in complex with B1 | | Descriptor: | Albumin, ~{N},~{N}-dimethyl-6-[(~{E})-2-(1-methylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-amine | | Authors: | Chen, X, Ge, Y.H, Yang, H, Fang, B, Li, L. | | Deposit date: | 2023-09-14 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Crystal structure of BSA in complex with B1
To Be Published
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7QF6
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2QLJ
 | | Crystal Structure of Caspase-7 with Inhibitor AC-WEHD-CHO | | Descriptor: | CITRIC ACID, Caspase-7, Inhibitor AC-WEHD-CHO, ... | | Authors: | Agniswamy, J, Fang, B, Weber, I. | | Deposit date: | 2007-07-12 | | Release date: | 2007-08-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
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2QL5
 | | Crystal Structure of caspase-7 with inhibitor AC-DMQD-CHO | | Descriptor: | CITRIC ACID, Caspase-7, inhibitor, ... | | Authors: | Agniswamy, J, Fang, B, Weber, I. | | Deposit date: | 2007-07-12 | | Release date: | 2007-08-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
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2QL9
 | | Crystal Structure of Caspase-7 with inhibitor AC-DQMD-CHO | | Descriptor: | CITRIC ACID, Caspase-7, Inhibitor AC-DQMD-CHO, ... | | Authors: | Agniswamy, J, Fang, B, Weber, I. | | Deposit date: | 2007-07-12 | | Release date: | 2007-08-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
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2QL7
 | | Crystal Structure of Caspase-7 with inhibitor AC-IEPD-CHO | | Descriptor: | CITRIC ACID, Caspase-7, Inhibitor AC-IEPD_CHO, ... | | Authors: | Agniswamy, J, Fang, B, Weber, I. | | Deposit date: | 2007-07-12 | | Release date: | 2007-08-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
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2QLB
 | | Crystal Structure of caspase-7 with inhibitor AC-ESMD-CHO | | Descriptor: | CITRIC ACID, Caspase-7, Inhibitor AC-ESMD-CHO, ... | | Authors: | Agniswamy, J, Fang, B, Weber, I. | | Deposit date: | 2007-07-12 | | Release date: | 2007-08-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
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2QLF
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2R0K
 | | Protease domain of HGFA with inhibitor Fab58 | | Descriptor: | Hepatocyte growth factor activator, antibody heavy chain of Fab58, Fab portion only, ... | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2007-08-20 | | Release date: | 2007-12-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.51 Å) | | Cite: | Structural insight into distinct mechanisms of protease inhibition by antibodies.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2R0L
 | | Short Form HGFA with Inhibitory Fab75 | | Descriptor: | Hepatocyte growth factor activator, antibody heavy chain, Fab portion only, ... | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2007-08-20 | | Release date: | 2007-12-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insight into distinct mechanisms of protease inhibition by antibodies.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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3IO7
 | | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | | Descriptor: | (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | | Deposit date: | 2009-08-13 | | Release date: | 2009-11-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
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3IOK
 | | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | | Descriptor: | 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine, Tyrosine-protein kinase JAK2 | | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | | Deposit date: | 2009-08-14 | | Release date: | 2009-11-10 | | Last modified: | 2013-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
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3JY9
 | | Janus Kinase 2 Inhibitors | | Descriptor: | (3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one, SODIUM ION, Tyrosine-protein kinase JAK2 | | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | | Deposit date: | 2009-09-21 | | Release date: | 2009-12-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Janus kinase 2 inhibitors. Synthesis and characterization of a novel polycyclic azaindole.
J.Med.Chem., 52, 2009
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4YTF
 | | Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases | | Descriptor: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide, Tyrosine-protein kinase JAK2 | | Authors: | Farmer, L, Ledeboer, M.W, Zuccola, H.J. | | Deposit date: | 2015-03-17 | | Release date: | 2015-08-12 | | Last modified: | 2015-10-07 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
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4YTC
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