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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:2024-10-16
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:2024-11-06
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:2024-11-13
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
2QL5
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BU of 2ql5 by Molmil
Crystal Structure of caspase-7 with inhibitor AC-DMQD-CHO
Descriptor: CITRIC ACID, Caspase-7, inhibitor, ...
Authors:Agniswamy, J, Fang, B, Weber, I.
Deposit date:2007-07-12
Release date:2007-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
2QL9
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BU of 2ql9 by Molmil
Crystal Structure of Caspase-7 with inhibitor AC-DQMD-CHO
Descriptor: CITRIC ACID, Caspase-7, Inhibitor AC-DQMD-CHO, ...
Authors:Agniswamy, J, Fang, B, Weber, I.
Deposit date:2007-07-12
Release date:2007-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
4ZVR
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BU of 4zvr by Molmil
Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to DEVD inhibitor.
Descriptor: Caspase-7, Peptide ACE-ASP-GLU-VAL-ASJ
Authors:Hill, M.E, MacPherson, D.J, Hardy, J.A.
Deposit date:2015-05-18
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
4ZVT
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BU of 4zvt by Molmil
Caspase-7 Variant 1 (V1) with reprogrammed substrate specificity due to Y230A/W232M/S234N substitutions, bound to VEID inhibitor.
Descriptor: Caspase-7, VEID inhibitor
Authors:Hardy, J.A, MacPherson, D.J, Hill, M.E.
Deposit date:2015-05-18
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
4ZVP
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BU of 4zvp by Molmil
Caspase-7 Variant 2 (V2) with reprogrammed substrate specificity due to Y230V/W232M/Q276C substitutions bound to DEVD inhibitor.
Descriptor: Caspase-7, Peptide ACE-ASP-GLU-VAL-ASA
Authors:Hill, M.E, MacPherson, D.J, Hardy, J.A.
Deposit date:2015-05-18
Release date:2016-04-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
6X8J
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BU of 6x8j by Molmil
Caspase-7 in complex with ketomethylene inhibitor reveals tetrahedral adduct
Descriptor: Caspase-7, ketomethylene inhibitor
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Caspase-7 in complex with ketomethylene inhibitor reveals tetrahedral adduct
To Be Published
6X8I
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BU of 6x8i by Molmil
Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct
Descriptor: Caspase-3, ketomethylene inhibitor
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct
To Be Published
6X8H
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BU of 6x8h by Molmil
Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct
Descriptor: Ac-DW3-KE, Caspase-8
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct
To Be Published
6X8L
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BU of 6x8l by Molmil
Caspase-7 in complex with elongated ketomethylene inhibitor
Descriptor: Caspase-7, ketomethylene inhibitor
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Caspase-7 in complex with elongated ketomethylene inhibitor
To Be Published
6X8K
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BU of 6x8k by Molmil
Caspase-3 in complex with elongated ketomethylene inhibitor
Descriptor: Caspase-3, ketomethylene inhibitor
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Caspase-3 in complex with elongated ketomethylene inhibitor
To Be Published
4ZVQ
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BU of 4zvq by Molmil
Caspase-7 Variant 2 (V2) with reprogrammed substrate specificity due to Y230V/W232M/Q276C substitutions bound to VEID inhibitor.
Descriptor: Caspase-7, Peptide ACE-VAL-GLU-ILE-ASA
Authors:Hill, M.E, MacPherson, D.J, Hardy, J.A.
Deposit date:2015-05-18
Release date:2016-04-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
4ZVU
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BU of 4zvu by Molmil
Caspase-7 wild-type bound to the caspase-6 cognate tetrapeptide inhibitor Ac-VEID-cho
Descriptor: Caspase-7, Tetrapeptide Inhibitor Ac-VEID-CHO
Authors:Hardy, J.A, MacPherson, D.J, Hill, M.E.
Deposit date:2015-05-18
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
2QLF
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BU of 2qlf by Molmil
Crystal Structure of Caspase-7 with inhibitor AC-DNLD-CHO
Descriptor: Caspase-7, Inhibitor AC-DNLD-CHO, Peptide QGHGE
Authors:Agniswamy, J, Fang, B, Weber, I.
Deposit date:2007-07-12
Release date:2007-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
4ZVS
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BU of 4zvs by Molmil
Caspase-7 Variant 1 (V1) with reprogrammed substrate specificity due to Y230A/W232M/S234N substitutions, bound to DEVD inhibitor.
Descriptor: Caspase-7, DEVD inhibitor
Authors:MacPherson, D.J, Hill, M.E, Hardy, J.A.
Deposit date:2015-05-18
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
4ZVO
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BU of 4zvo by Molmil
Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to VEID inhibitor.
Descriptor: Caspase-7, Peptide ACE-VAL-GLU-ILE-ASJ
Authors:Hill, M.E, MacPherson, D.J, Hardy, J.A.
Deposit date:2015-05-18
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
7SEO
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BU of 7seo by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor Ac-VDV(DAB)D-CHO
Descriptor: ACE-VAL-ASP-VAL-DAB-ASP, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:Fuller, J.L, Finzel, B.C.
Deposit date:2021-09-30
Release date:2022-01-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.25 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
7USQ
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BU of 7usq by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor AcDVPD-CHO
Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcDVPD-CHO
Authors:Fuller, J.L, Finzel, B.C.
Deposit date:2022-04-25
Release date:2022-06-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
7USO
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BU of 7uso by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor AcITVKD-CHO
Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcITVKD-CHO
Authors:Fuller, J.L, Finzel, B.C.
Deposit date:2022-04-25
Release date:2022-06-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
7USP
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BU of 7usp by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor AcITV(Orn)D-CHO
Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcITV(Orn)D-CHO
Authors:Fuller, J.L, Finzel, B.C.
Deposit date:2022-04-25
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
2QL7
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BU of 2ql7 by Molmil
Crystal Structure of Caspase-7 with inhibitor AC-IEPD-CHO
Descriptor: CITRIC ACID, Caspase-7, Inhibitor AC-IEPD_CHO, ...
Authors:Agniswamy, J, Fang, B, Weber, I.
Deposit date:2007-07-12
Release date:2007-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
2QLB
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BU of 2qlb by Molmil
Crystal Structure of caspase-7 with inhibitor AC-ESMD-CHO
Descriptor: CITRIC ACID, Caspase-7, Inhibitor AC-ESMD-CHO, ...
Authors:Agniswamy, J, Fang, B, Weber, I.
Deposit date:2007-07-12
Release date:2007-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
2QLJ
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BU of 2qlj by Molmil
Crystal Structure of Caspase-7 with Inhibitor AC-WEHD-CHO
Descriptor: CITRIC ACID, Caspase-7, Inhibitor AC-WEHD-CHO, ...
Authors:Agniswamy, J, Fang, B, Weber, I.
Deposit date:2007-07-12
Release date:2007-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007

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