PDB: 339 resultsInfo pagesStatus searchChemie searchBIRD

---

7RN9	Crystal structure of caspase-3 with inhibitor Ac-VDFVD-CHO Descriptor: Ac-VDFVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-01-05 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
7RNB	Crystal structure of caspase-3 with inhibitor Ac-VDRVD-CHO Descriptor: Ac-VDRVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-01-05 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
7RND	Crystal structure of caspase-3 with inhibitor Ac-VDPVD-CHO Descriptor: Ac-VDPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-01-05 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
7RNA	Crystal structure of caspase-3 with inhibitor Ac-ITV(Dab)D-CHO Descriptor: Ac-ITV(Dab)D-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-06-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis. Arch Pharm, 355, 2022
7RNG	Crystal structure of caspase-3 with inhibitor Ac-ITAKD-CHO Descriptor: Ac-ITAKD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-06-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis. Arch Pharm, 355, 2022
7RNC	Crystal structure of caspase-3 with inhibitor Ac-VDVVD-CHO Descriptor: Ac-VDVVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-06-15 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Structural Studies to Enable Drug Discovery Thesis, 2021
7SEO	Crystal Structure of Caspase-3 with Peptide Inhibitor Ac-VDV(DAB)D-CHO Descriptor: ACE-VAL-ASP-VAL-DAB-ASP, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: Fuller, J.L, Finzel, B.C. Deposit date: 2021-09-30 Release date: 2022-01-05 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.25 Å) Cite: Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
7USQ	Crystal Structure of Caspase-3 with Peptide Inhibitor AcDVPD-CHO Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcDVPD-CHO Authors: Fuller, J.L, Finzel, B.C. Deposit date: 2022-04-25 Release date: 2022-06-01 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.71 Å) Cite: Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis. Arch Pharm, 355, 2022
7USO	Crystal Structure of Caspase-3 with Peptide Inhibitor AcITVKD-CHO Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcITVKD-CHO Authors: Fuller, J.L, Finzel, B.C. Deposit date: 2022-04-25 Release date: 2022-06-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis. Arch Pharm, 355, 2022
7USP	Crystal Structure of Caspase-3 with Peptide Inhibitor AcITV(Orn)D-CHO Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcITV(Orn)D-CHO Authors: Fuller, J.L, Finzel, B.C. Deposit date: 2022-04-25 Release date: 2022-06-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis. Arch Pharm, 355, 2022
4AFR	THE STRUCTURE OF METACASPASE 2 (C213A MUTANT) FROM T. BRUCEI Descriptor: METACASPASE Authors: McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C. Deposit date: 2012-01-23 Release date: 2012-05-02 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal Structure of a Trypanosoma Brucei Metacaspase. Proc.Natl.Acad.Sci.USA, 109, 2012
4FXO	Zinc-mediated allosteric inhibiton of caspase-6 Descriptor: Caspase-6, ZINC ION Authors: Velazquez-Delgado, E.M, Hardy, J.A. Deposit date: 2012-07-03 Release date: 2012-08-22 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Zinc-mediated Allosteric Inhibition of Caspase-6. J.Biol.Chem., 287, 2012
3D6F	Crystal structure of human caspase-1 with a naturally-occurring Arg240->Gln substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide Authors: Rosen-Wolff, A, Roesler, J, Romanowski, M.J. Deposit date: 2008-05-19 Release date: 2010-03-02 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever). To be Published
4HQR	Crystal Structure of mutant form of Caspase-7 Descriptor: Ac-Asp-Glu-Val-Asp-Aldehyde, Caspase-7 Authors: Lee, Y, Kang, H.J, Bae, K.-H, Kim, S.J, Chung, S.J. Deposit date: 2012-10-26 Release date: 2013-09-11 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural asymmetry of procaspase-7 bound to a specific inhibitor Acta Crystallogr.,Sect.D, 69, 2013
3D6M	Crystal structure of human caspase-1 with a naturally-occurring Lys319->Arg substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide Authors: Rosen-Wolff, A, Roesler, J, Romanowski, M.J. Deposit date: 2008-05-19 Release date: 2010-03-02 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever). To be Published, 2008
3D6H	Crystal structure of human caspase-1 with a naturally-occurring Asn263->Ser substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Descriptor: Caspase-1, Caspase-1 precursor, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide Authors: Rosen-Wolff, A, Roesler, J, Romanowski, M.J. Deposit date: 2008-05-19 Release date: 2010-03-02 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever). To be Published, 2008
3DEJ	Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors Descriptor: (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3 Authors: Wu, J, Du, J, Li, J, Ding, J. Deposit date: 2008-06-10 Release date: 2008-09-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283, 2008
3DEH	Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors Descriptor: Caspase-3, isoquinoline-1,3,4(2H)-trione Authors: Wu, J, Du, J, Li, J, Ding, J. Deposit date: 2008-06-10 Release date: 2008-09-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283, 2008
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
3DEI	Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors Descriptor: (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3 Authors: Wu, J, Du, J, Li, J, Ding, J. Deposit date: 2008-06-10 Release date: 2008-09-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283, 2008
3DEK	Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors Descriptor: Caspase-3, N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide Authors: Wu, J, Du, J, Li, J, Ding, J. Deposit date: 2008-06-10 Release date: 2008-09-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283, 2008
4DCP	Crystal Structure of caspase 3, L168F mutant Descriptor: Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: Chung, S.J, Kang, H.J, Kim, S.J. Deposit date: 2012-01-18 Release date: 2012-12-12 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Molecular insight into the role of the leucine residue on the L2 loop in the catalytic activity of caspases 3 and 7 Biosci.Rep., 32, 2012
3EDR	The crystal structure of caspase-7 in complex with Acetyl-LDESD-CHO Descriptor: Caspase-7, Inhibitor Ac-ldesd-cho peptide Authors: Agniswamy, J. Deposit date: 2008-09-03 Release date: 2008-10-28 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Structural basis for executioner caspase recognition of P5 position in substrates. Apoptosis, 13, 2008
4IYR	Crystal structure of full-length caspase-6 zymogen Descriptor: Caspase-6 Authors: Cao, Q, Wang, X.-J, Li, L.-F, Su, X.-D. Deposit date: 2013-01-29 Release date: 2014-01-15 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.697 Å) Cite: The regulatory mechanism of the caspase 6 pro-domain revealed by crystal structure and biochemical assays. Acta Crystallogr.,Sect.D, 70, 2014

<1234567891011121314>