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4JJE
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BU of 4jje by Molmil
Caspase-3 specific unnatural amino acid peptides
Descriptor: Caspase inhibitor, Caspase-3
Authors:Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2013-03-07
Release date:2013-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.481 Å)
Cite:Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids.
Acs Chem.Biol., 8, 2013
4JQZ
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BU of 4jqz by Molmil
Human procaspase-3, crystal form 2
Descriptor: Procaspase-3
Authors:Thomsen, N.D, Wells, J.A.
Deposit date:2013-03-20
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.889 Å)
Cite:Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JR0
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BU of 4jr0 by Molmil
Human procaspase-3 bound to Ac-DEVD-CMK
Descriptor: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-3
Authors:Thomsen, N.D, Wells, J.A.
Deposit date:2013-03-20
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JB8
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BU of 4jb8 by Molmil
Caspase-7 in Complex with DARPin C7_16
Descriptor: Caspase-7 subunit p11, Caspase-7 subunit p20, DARPin C7_16
Authors:Fluetsch, A, Seeger, M.A, Gruetter, M.G.
Deposit date:2013-02-19
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, construction, and characterization of a second-generation DARPin library with reduced hydrophobicity.
Protein Sci., 22, 2013
4JJ8
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BU of 4jj8 by Molmil
Caspase-3 specific unnatural amino acid peptides
Descriptor: Caspase Inhibitor, Caspase-7
Authors:Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2013-03-07
Release date:2013-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.937 Å)
Cite:Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids.
Acs Chem.Biol., 8, 2013
4JR1
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BU of 4jr1 by Molmil
Human procaspase-7 bound to Ac-DEVD-CMK
Descriptor: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-7
Authors:Thomsen, N.D, Wells, J.A.
Deposit date:2013-03-20
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JJ7
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BU of 4jj7 by Molmil
Caspase-3 specific unnatural amino acid-based peptides
Descriptor: Caspase inhibitor, Caspase-8, DITHIANE DIOL
Authors:Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2013-03-07
Release date:2013-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.178 Å)
Cite:Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids.
Acs Chem.Biol., 8, 2013
4JR2
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BU of 4jr2 by Molmil
Human procaspase-7/caspase-7 heterodimer bound to Ac-DEVD-CMK
Descriptor: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-7
Authors:Thomsen, N.D, Wells, J.A.
Deposit date:2013-03-20
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JQY
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BU of 4jqy by Molmil
Human procaspase-3, crystal form 1
Descriptor: Procaspase-3
Authors:Thomsen, N.D, Wells, J.A.
Deposit date:2013-03-20
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LSZ
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BU of 4lsz by Molmil
Caspase-7 in Complex with DARPin D7.18
Descriptor: Caspase-7 subunit p10, Caspase-7 subunit p20, DARPin D7.18
Authors:Fluetsch, A, Lukarska, M, Gruetter, M.G.
Deposit date:2013-07-23
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Combined inhibition of caspase 3 and caspase 7 by two highly selective DARPins slows down cellular demise.
Biochem.J., 461, 2014
7QP1
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BU of 7qp1 by Molmil
Crystal structure of metacaspase from candida glabrata with calcium
Descriptor: CALCIUM ION, CHLORIDE ION, Metacaspase-1
Authors:Conchou, L, Ballut, L, Violot, S, Aghajari, N.
Deposit date:2021-12-30
Release date:2023-01-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and molecular determinants of Candida glabrata metacaspase maturation and activation by calcium.
Commun Biol, 5, 2022
7QP0
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BU of 7qp0 by Molmil
Crystal structure of metacaspase from candida glabrata with magnesium
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Metacaspase-1
Authors:Conchou, L, Ballut, L, Violot, S, Aghajari, N.
Deposit date:2021-12-30
Release date:2023-01-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and molecular determinants of Candida glabrata metacaspase maturation and activation by calcium.
Commun Biol, 5, 2022
8DGZ
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BU of 8dgz by Molmil
Caspase-7 bound to substrate mimic and allosteric inhibitor
Descriptor: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid, Ac-Asp-Glu-Val-Asp-Aldehyde, Caspase-7
Authors:Propp, J, Kalenkiewicz, A, Kathryn, F.H, Spies, M.A.
Deposit date:2022-06-24
Release date:2023-07-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power.
Chemistry, 29, 2023
8DJ3
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BU of 8dj3 by Molmil
Caspase-7 bound to novel allosteric inhibitor
Descriptor: 2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid, Caspase-7
Authors:Propp, J, Kalenkiewicz, A, Kathryn, F.H, Spies, M.A.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power.
Chemistry, 29, 2023
7RNA
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BU of 7rna by Molmil
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
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BU of 7rng by Molmil
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
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BU of 7rnc by Molmil
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
2AR9
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BU of 2ar9 by Molmil
Crystal structure of a dimeric caspase-9
Descriptor: Caspase-9, D-MALATE
Authors:Chao, Y, Shiozaki, E.N, Srinivassula, S.M, Rigotti, D.J, Fairman, R, Shi, Y.
Deposit date:2005-08-19
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Engineering a Dimeric Caspase-9: A Re-Evaluation of the Induced Proximity Model for Caspase Activation
PLOS BIOL., 3, 2005
8EG6
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BU of 8eg6 by Molmil
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
8EG5
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BU of 8eg5 by Molmil
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
7RNE
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BU of 7rne by Molmil
Crystal structure of caspase-3 with inhibitor Ac-YKPVD-CHO
Descriptor: Ac-YKPVD-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 (2.73 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
7RN7
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BU of 7rn7 by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VD(Aly)VD-CHO
Descriptor: Ac-VD(Aly)VD-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:2023-11-15
Method:X-RAY DIFFRACTION (2.4 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
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BU of 7rnb by Molmil
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
7RN9
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BU of 7rn9 by Molmil
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
7RNF
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BU of 7rnf by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VDKVD-CHO
Descriptor: Ac-VDKVD-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 (2.11 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

221716

數據於2024-06-26公開中

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