3OD5
| Crystal structure of active caspase-6 bound with Ac-VEID-CHO | Descriptor: | CACODYLATE ION, Caspase-6, peptide aldehyde inhibitor AC-VEID-CHO | Authors: | Wang, X.-J, Liu, X, Wang, K.-T, Cao, Q, Su, X.-D. | Deposit date: | 2010-08-11 | Release date: | 2010-10-27 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of human caspase 6 reveal a new mechanism for intramolecular cleavage self-activation Embo Rep., 11, 2010
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3S70
| Crystal structure of active caspase-6 bound with Ac-VEID-CHO solved by As-SAD | Descriptor: | ACETATE ION, CACODYLATE ION, Caspase-6, ... | Authors: | Su, X.-D, Liu, X, Wang, X.-J. | Deposit date: | 2011-05-26 | Release date: | 2012-04-11 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.625 Å) | Cite: | Get phases from arsenic anomalous scattering: de novo SAD phasing of two protein structures crystallized in cacodylate buffer Plos One, 6, 2011
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4N7J
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4NBN
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4NBL
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8EG6
| huCaspase-6 in complex with inhibitor 2a | Descriptor: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | Deposit date: | 2022-09-11 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6. J.Am.Chem.Soc., 145, 2023
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3P4U
| Crystal structure of active caspase-6 in complex with Ac-VEID-CHO inhibitor | Descriptor: | Ac-VEID-CHO inhibitor, Caspase-6 | Authors: | Mueller, I, Lamers, M.B.A.C, Ritchie, A.J, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A. | Deposit date: | 2010-10-07 | Release date: | 2011-09-28 | Last modified: | 2015-12-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of active and inhibitor-bound human Casp6 To be Published
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4NBK
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2WDP
| Crystal Structure of Ligand Free Human Caspase-6 | Descriptor: | CASPASE-6, PHOSPHATE ION | Authors: | Baumgartner, R, Briand, C, Meder, G, Morse, R, Renatus, M. | Deposit date: | 2009-03-25 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Crystal Structure of Caspase-6, a Selective Effector of Axonal Degeneration. Biochem.J., 423, 2009
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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
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4HVA
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4N7M
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8EG5
| huCaspase-6 in complex with inhibitor 3a | Descriptor: | (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ... | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | Deposit date: | 2022-09-11 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6. J.Am.Chem.Soc., 145, 2023
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4N6G
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3V6L
| Crystal Structure of caspase-6 inactivation mutation | Descriptor: | Caspase-6 | Authors: | Cao, Q, Wang, X.J, Liu, D.F, Li, L.F, Su, X.D. | Deposit date: | 2011-12-20 | Release date: | 2012-03-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays J.Biol.Chem., 287, 2012
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8F97
| Compound 5 bound to procaspase-6 | Descriptor: | 1,2-ETHANEDIOL, 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol, CHLORIDE ION, ... | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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6DEV
| Human caspase-6 E35K | Descriptor: | Caspase-6 | Authors: | Tubeleviciute-Aydin, A, Beautrait, A, Lynham, J, Sharma, G, Gorelik, A, Deny, L.J, Soya, N, Lukacs, G.L, Nagar, B, Marinier, A, LeBlanc, A.C. | Deposit date: | 2018-05-13 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.348 Å) | Cite: | Identification of Allosteric Inhibitors against Active Caspase-6. Sci Rep, 9, 2019
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3P45
| Crystal structure of apo-caspase-6 at physiological pH | Descriptor: | caspase-6 | Authors: | Mueller, I, Lamers, M.B.A.C, Ritchie, A.J, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A. | Deposit date: | 2010-10-06 | Release date: | 2011-06-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Crystal structures of active and inhibitor-bound human Casp6 To be Published
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8F9A
| Compound 11 bound to procaspase-6 | Descriptor: | 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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4EJF
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3QNW
| Caspase-6 in complex with Z-VAD-FMK inhibitor | Descriptor: | Caspase-6, Z-VAD-FMK | Authors: | Mueller, I, Lamers, M, Ritchie, A, Park, H, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A. | Deposit date: | 2011-02-09 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of human caspase-6 in complex with Z-VAD-FMK: New peptide binding mode observed for the non-canonical caspase conformation. Bioorg.Med.Chem.Lett., 21, 2011
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8F9B
| Compound 19 bound to procaspase-6 | Descriptor: | 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F9D
| Compound 21 bound to procaspase-6 | Descriptor: | 1,2-ETHANEDIOL, 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F78
| Compound 1 bound to procaspase-6 | Descriptor: | 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, Procaspase-6 | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-18 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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3V6M
| Inhibition of caspase-6 activity by single mutation outside the active site | Descriptor: | Caspase-6 | Authors: | Cao, Q, Wang, X.J, Liu, D.F, Li, L.F, Su, X.D. | Deposit date: | 2011-12-20 | Release date: | 2012-03-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.692 Å) | Cite: | Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays J.Biol.Chem., 287, 2012
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