PDB: 342 resultsInfo pagesStatus searchChemie searchBIRD

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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
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
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
4PS1	Caspase-8 specific unnatural amino acid peptides Descriptor: (BAL)LQ(HYP)(1U8) PEPTIDE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Caspase-8 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 (1.731 Å) Cite: Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids. Acs Chem.Biol., 9, 2014
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
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
4QU0	Caspase-3 Y195AV266H 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 (1.954 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QUE	Caspase-3 Y195FV266H Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 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 (1.843 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
4QUH	Caspase-3 T140G Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ... 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 (1.759 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QTX	Caspase-3 Y195A Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ACETATE 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 (1.974 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
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
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
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
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
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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