3PD0
| Caspase-3 E246A | Descriptor: | CHLORIDE ION, Caspase-3, INHIBITOR AC-DEVD-CMK | Authors: | Walters, J, Swartz, P, Mattos, C, Clark, A.C. | Deposit date: | 2010-10-22 | Release date: | 2011-02-16 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3. Arch.Biochem.Biophys., 508, 2011
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6CL1
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6CL0
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6CL2
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6CKZ
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6DEU
| Human caspase-6 A109T | 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 (2.796 Å) | Cite: | Identification of Allosteric Inhibitors against Active Caspase-6. Sci Rep, 9, 2019
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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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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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3R5K
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3RJM
| CASPASE2 IN COMPLEX WITH CHDI LIGAND 33c | Descriptor: | Caspase-2, Peptide inhibitor (ACE)VDV(3PX)D-CHO | Authors: | Abendroth, J, Lorimer, D, Stewart, L, Maillard, M, Kiselyov, A.S. | Deposit date: | 2011-04-15 | Release date: | 2011-09-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Exploiting differences in caspase-2 and -3 S(2) subsites for selectivity: Structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors. Bioorg.Med.Chem., 19, 2011
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3R6G
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3R7S
| Crystal Structure of Apo Caspase2 | Descriptor: | Caspase-2 subunit p12, Caspase-2 subunit p18 | Authors: | Tang, Y, Wells, J, Arkin, M. | Deposit date: | 2011-03-22 | Release date: | 2011-07-27 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis. J.Biol.Chem., 286, 2011
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3R5J
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3R6L
| Caspase-2 T380A bound with Ac-VDVAD-CHO | Descriptor: | Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)VDVAD-CHO | Authors: | Tang, Y, Wells, J, Arkin, M. | Deposit date: | 2011-03-21 | Release date: | 2011-07-27 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis. J.Biol.Chem., 286, 2011
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3R7B
| Caspase-2 bound to one copy of Ac-DVAD-CHO | Descriptor: | Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)DVAD-CHO | Authors: | Tang, Y, Wells, J, Arkin, M. | Deposit date: | 2011-03-22 | Release date: | 2011-07-27 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis. J.Biol.Chem., 286, 2011
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6F6R
| Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide | Descriptor: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION | Authors: | Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F. | Deposit date: | 2017-12-06 | Release date: | 2018-05-02 | Last modified: | 2018-05-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne. J. Med. Chem., 61, 2018
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3R7N
| Caspase-2 bound with two copies of Ac-DVAD-CHO | Descriptor: | Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)DVAD-CHO | Authors: | Tang, Y, Wells, J, Arkin, M. | Deposit date: | 2011-03-22 | Release date: | 2011-07-27 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis. J.Biol.Chem., 286, 2011
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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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3SIR
| Crystal Structure of drICE | Descriptor: | Caspase | Authors: | Li, X, Wang, J, Shi, Y. | Deposit date: | 2011-06-20 | Release date: | 2011-08-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural mechanisms of DIAP1 auto-inhibition and DIAP1-mediated inhibition of drICE. Nat Commun, 2, 2011
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3S8E
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1NMQ
| Extendend Tethering: In Situ Assembly of Inhibitors | Descriptor: | 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | Deposit date: | 2003-01-10 | Release date: | 2003-03-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | In situ assembly of enzyme inhibitors using extended tethering. Nat.Biotechnol., 21, 2003
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1PAU
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1PYO
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1QDU
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1QTN
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