PDB: 342 resultsInfo pagesStatus searchChemie searchBIRD

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4HQ0	Crystal Structure of mutant form of Caspase-7 Descriptor: Caspase-7 Authors: Lee, Y, Kang, H.J, Bae, K.-H, Kim, S.J, Chung, S.J. Deposit date: 2012-10-25 Release date: 2013-09-11 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural asymmetry of procaspase-7 bound to a specific inhibitor Acta Crystallogr.,Sect.D, 69, 2013
4HVA	Mechanistic and Structural Understanding of Uncompetitive Inhibitors of Caspase-6 Descriptor: Caspase-6, N-[(2R)-1-(3-cyanophenyl)-3-hydroxypropan-2-yl]-5-(3,4-dimethoxyphenyl)furan-3-carboxamide, VEID Inhibitor Authors: Murray, J.M, Steffek, M. Deposit date: 2012-11-05 Release date: 2013-03-20 Method: X-RAY DIFFRACTION (2.074 Å) Cite: Mechanistic and structural understanding of uncompetitive inhibitors of caspase-6. Plos One, 7, 2012
4N7M	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION Authors: Murray, J.M, Steffek, M. Deposit date: 2013-10-15 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.125 Å) Cite: Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
4N6G	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION Authors: Murray, J.M, Steffek, M. Deposit date: 2013-10-11 Release date: 2014-01-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.142 Å) Cite: Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
4NBK	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 Descriptor: 2-{[(3-methylpyridin-2-yl)amino]methyl}phenol, Caspase-6, PHOSPHATE ION Authors: Murray, J.M, Steffek, M. Deposit date: 2013-10-23 Release date: 2014-01-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.936 Å) Cite: Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
4N7J	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION Authors: Murray, J.M, Steffek, M. Deposit date: 2013-10-15 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.673 Å) Cite: Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
4NBL	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 Descriptor: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, Caspase-6, PHOSPHATE ION Authors: Murray, J.M, Steffek, M. Deposit date: 2013-10-23 Release date: 2014-01-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.756 Å) Cite: Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
6X8H	Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct Descriptor: Ac-DW3-KE, Caspase-8 Authors: Solania, A, Xu, J.H, Wolan, D.W. Deposit date: 2020-06-01 Release date: 2021-06-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct To Be Published
6X8J	Caspase-7 in complex with ketomethylene inhibitor reveals tetrahedral adduct Descriptor: Caspase-7, ketomethylene inhibitor Authors: Solania, A, Xu, J.H, Wolan, D.W. Deposit date: 2020-06-01 Release date: 2021-06-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.604 Å) Cite: Caspase-7 in complex with ketomethylene inhibitor reveals tetrahedral adduct To Be Published
6X8I	Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct Descriptor: Caspase-3, ketomethylene inhibitor Authors: Solania, A, Xu, J.H, Wolan, D.W. Deposit date: 2020-06-01 Release date: 2021-06-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct To Be Published
6X8L	Caspase-7 in complex with elongated ketomethylene inhibitor Descriptor: Caspase-7, ketomethylene inhibitor Authors: Solania, A, Xu, J.H, Wolan, D.W. Deposit date: 2020-06-01 Release date: 2021-06-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Caspase-7 in complex with elongated ketomethylene inhibitor To Be Published
6X8K	Caspase-3 in complex with elongated ketomethylene inhibitor Descriptor: Caspase-3, ketomethylene inhibitor Authors: Solania, A, Xu, J.H, Wolan, D.W. Deposit date: 2020-06-01 Release date: 2021-06-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Caspase-3 in complex with elongated ketomethylene inhibitor To Be Published
4N5D	Tailoring Small Molecules for an Allosteric Site on Procaspase-6: Cpd1 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8H)-one, Caspase-6, ... Authors: Murray, J.M, Steffek, M. Deposit date: 2013-10-09 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.06 Å) Cite: Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
4NBN	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 Descriptor: 2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol, Caspase-6, PHOSPHATE ION Authors: Murray, J.M, Steffek, M. Deposit date: 2013-10-23 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
4ZVR	Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to DEVD inhibitor. Descriptor: Caspase-7, Peptide ACE-ASP-GLU-VAL-ASJ Authors: Hill, M.E, MacPherson, D.J, Hardy, J.A. Deposit date: 2015-05-18 Release date: 2016-04-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
4ZVT	Caspase-7 Variant 1 (V1) with reprogrammed substrate specificity due to Y230A/W232M/S234N substitutions, bound to VEID inhibitor. Descriptor: Caspase-7, VEID inhibitor Authors: Hardy, J.A, MacPherson, D.J, Hill, M.E. Deposit date: 2015-05-18 Release date: 2016-04-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
4ZVS	Caspase-7 Variant 1 (V1) with reprogrammed substrate specificity due to Y230A/W232M/S234N substitutions, bound to DEVD inhibitor. Descriptor: Caspase-7, DEVD inhibitor Authors: MacPherson, D.J, Hill, M.E, Hardy, J.A. Deposit date: 2015-05-18 Release date: 2016-04-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
4ZVP	Caspase-7 Variant 2 (V2) with reprogrammed substrate specificity due to Y230V/W232M/Q276C substitutions bound to DEVD inhibitor. Descriptor: Caspase-7, Peptide ACE-ASP-GLU-VAL-ASA Authors: Hill, M.E, MacPherson, D.J, Hardy, J.A. Deposit date: 2015-05-18 Release date: 2016-04-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
4ZVO	Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to VEID inhibitor. Descriptor: Caspase-7, Peptide ACE-VAL-GLU-ILE-ASJ Authors: Hill, M.E, MacPherson, D.J, Hardy, J.A. Deposit date: 2015-05-18 Release date: 2016-04-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
4ZVQ	Caspase-7 Variant 2 (V2) with reprogrammed substrate specificity due to Y230V/W232M/Q276C substitutions bound to VEID inhibitor. Descriptor: Caspase-7, Peptide ACE-VAL-GLU-ILE-ASA Authors: Hill, M.E, MacPherson, D.J, Hardy, J.A. Deposit date: 2015-05-18 Release date: 2016-04-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
6KN1	P20/P12 of caspase-11 mutant C254A Descriptor: Caspase-4 Authors: Ding, J, Sun, Q. Deposit date: 2019-08-02 Release date: 2020-03-11 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis. Cell, 180, 2020
4ZVU	Caspase-7 wild-type bound to the caspase-6 cognate tetrapeptide inhibitor Ac-VEID-cho Descriptor: Caspase-7, Tetrapeptide Inhibitor Ac-VEID-CHO Authors: Hardy, J.A, MacPherson, D.J, Hill, M.E. Deposit date: 2015-05-18 Release date: 2016-04-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.601 Å) Cite: Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
6KMU	P22/P10 complex of caspase-11 mutant C254A Descriptor: Caspase-4 Authors: Ding, J, Sun, Q. Deposit date: 2019-08-01 Release date: 2020-03-11 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis. Cell, 180, 2020
6KMT	P32 of caspase-11 mutant C254A Descriptor: Caspase-4 Authors: Ding, J, Sun, Q. Deposit date: 2019-08-01 Release date: 2020-03-11 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis. Cell, 180, 2020
3NKF	Crystal structure of human ligand-free mature caspase-6 with intersubunit linker attached Descriptor: Caspase-6 Authors: Vaidya, S, Hardy, J.A. Deposit date: 2010-06-18 Release date: 2010-12-08 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Substrate-Induced Conformational Changes Occur in All Cleaved Forms of Caspase-6. J.Mol.Biol., 406, 2011

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