PDB: 342 resultsInfo pagesStatus searchChemie searchBIRD

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4QU9	Caspase-3 F128A Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3 Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.561 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QUJ	Caspase-3 T140GV266H Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, ... Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.498 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QUD	Caspase-3 T140F Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.995 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QUA	Caspase-3 Y195F Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.892 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
6BGK	Caspase-3 Mutant- D9A,D28A,T152D Descriptor: ACE-ASP-GLU-VAL-ASP-0QE, AZIDE ION, CHLORIDE ION, ... Authors: Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. Deposit date: 2017-10-28 Release date: 2018-02-21 Last modified: 2018-04-25 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Modifications to a common phosphorylation network provide individualized control in caspases. J. Biol. Chem., 293, 2018
4QUB	Caspase-3 K137A Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3 Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.689 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
6BGQ	Caspase-3 Mutant - S150D Descriptor: AZIDE ION, Ac-Asp-Glu-Val-Asp-CMK, CHLORIDE ION, ... Authors: Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. Deposit date: 2017-10-29 Release date: 2018-02-21 Last modified: 2018-04-25 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Modifications to a common phosphorylation network provide individualized control in caspases. J. Biol. Chem., 293, 2018
6BHA	Caspase-3 Mutant - T152V Descriptor: Ac-Asp-Glu-Val-Asp-CMK, Caspase-3 Authors: Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. Deposit date: 2017-10-30 Release date: 2018-02-21 Last modified: 2018-04-25 Method: X-RAY DIFFRACTION (1.603 Å) Cite: Modifications to a common phosphorylation network provide individualized control in caspases. J. Biol. Chem., 293, 2018
6CL0	Human caspase-3 in complex with Ac-ATS009-KE Descriptor: ACE-1MH-ASP-PF5-PHE-1U8, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W. Deposit date: 2018-03-01 Release date: 2019-03-06 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3. Acs Chem.Biol., 14, 2019
6BGR	Caspase-3 Mutant - S150E Descriptor: AZIDE ION, Ac-Asp-Glu-Val-Asp-CMK, Caspase-3 Authors: Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. Deposit date: 2017-10-29 Release date: 2018-02-21 Last modified: 2018-04-25 Method: X-RAY DIFFRACTION (2.16 Å) Cite: Modifications to a common phosphorylation network provide individualized control in caspases. J. Biol. Chem., 293, 2018
6CL1	Caspase-7 in complex with Ac-DW3-KE Descriptor: ACE-1MH-ASP-B3L-PHE-1U8, Caspase-7 subunit p11, Caspase-7 subunit p20 Authors: Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W. Deposit date: 2018-03-01 Release date: 2019-03-06 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.651 Å) Cite: Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3. Acs Chem.Biol., 14, 2019
4PS0	Caspase-8 specific unnatural amino acid peptides Descriptor: (BAL)LQ(HYP)(1U8) PEPTIDE, Caspase-3 Authors: Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E. Deposit date: 2014-03-06 Release date: 2015-01-21 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids. Acs Chem.Biol., 9, 2014
4PRZ	Caspase-8 specific unnatural amino acid peptides Descriptor: (ACE)LET(1U8) PEPTIDE, Caspase-8, DITHIANE DIOL Authors: Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E. Deposit date: 2014-03-06 Release date: 2015-01-21 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.123 Å) Cite: Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids. Acs Chem.Biol., 9, 2014
4PRY	Caspase-8 specific unnatural amino acid peptides Descriptor: Ac-LETD-CHO, Caspase-3 Authors: Wolan, D.W, Gonzalez-Paez, G.E, Vickers, C.J. Deposit date: 2014-03-06 Release date: 2015-01-21 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids. Acs Chem.Biol., 9, 2014
6BH9	Caspase-3 Mutant - T152A Descriptor: Ac-Asp-Glu-Val-Asp-CMK, CHLORIDE ION, Caspase-3, ... Authors: Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. Deposit date: 2017-10-30 Release date: 2018-02-21 Last modified: 2018-04-25 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Modifications to a common phosphorylation network provide individualized control in caspases. J. Biol. Chem., 293, 2018
6BGS	Caspase-3 Mutant - S150Y Descriptor: Ac-Asp-Glu-Val-Asp-CMK, Caspase-3 Authors: Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. Deposit date: 2017-10-29 Release date: 2018-02-21 Last modified: 2018-04-25 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Modifications to a common phosphorylation network provide individualized control in caspases. J. Biol. Chem., 293, 2018
4QTY	Caspase-3 E190A Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3, ... Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-09 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.602 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QU5	Caspase-3 T140V Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.908 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QUI	Caspase-3 F128AV266H Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CHLORIDE ION, ... Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.758 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
6CL2	Caspase-7 in complex with Ac-ATS009-KE Descriptor: ACE-1MH-ASP-PF5-PHE-1U8, Caspase-7 subunit p11, Caspase-7 subunit p20 Authors: Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W. Deposit date: 2018-03-01 Release date: 2019-03-06 Last modified: 2020-09-23 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3. Acs Chem.Biol., 14, 2019
6CKZ	Human caspase-3 in complex with Ac-DW3-KE Descriptor: ACE-1MH-ASP-B3L-PHE-1U8, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W. Deposit date: 2018-03-01 Release date: 2019-03-06 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3. Acs Chem.Biol., 14, 2019
4QUG	Caspase-3 M61A Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ACETATE ION, AZIDE ION, ... Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.917 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QUL	Caspase-3 F55W Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3 Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.898 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QU8	Caspase-3 M61A V266H Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CHLORIDE ION, ... Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.715 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
6F7I	human MALT1(329-728) IN COMPLEX WITH MLT-747 Descriptor: 1-[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea, GLYCEROL, MAGNESIUM ION, ... Authors: Renatus, M, Renatus, M. Deposit date: 2017-12-09 Release date: 2019-01-02 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.43 Å) Cite: An allosteric MALT1 inhibitor is a molecular corrector rescuing function in an immunodeficient patient. Nat. Chem. Biol., 15, 2019

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