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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:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Caspase-3 in complex with elongated ketomethylene inhibitor
To Be Published
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:2024-01-17
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:2023-10-18
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
7WR0
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BU of 7wr0 by Molmil
P32 of caspase-4 C258A mutant
Descriptor: Caspase-4
Authors:Hou, Y.J, Zeng, H, Shao, F, Ding, J.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
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
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
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
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
7RN8
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BU of 7rn8 by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VD(Orn)VD-CHO
Descriptor: Ac-VD(Orn)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:2024-02-07
Method:X-RAY DIFFRACTION (1.88 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
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
7RND
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BU of 7rnd by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VDPVD-CHO
Descriptor: Ac-VDPVD-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 (2.15 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
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
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:2023-10-18
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
5IAB
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BU of 5iab by Molmil
Caspase 3 V266D
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, Caspase-3
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-21
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IC6
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BU of 5ic6 by Molmil
Crystal structure of caspase-7 DEVE peptide complex
Descriptor: Caspase-7 subunit p11, Caspase-7 subunit p20, DEVE peptide
Authors:Seaman, J.E, Julien, O, Lee, P.S, Rettenmaier, T.J, Thomsen, N.D, Wells, J.A.
Deposit date:2016-02-22
Release date:2016-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cacidases: caspases can cleave after aspartate, glutamate and phosphoserine residues.
Cell Death Differ., 23, 2016
5IBP
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BU of 5ibp by Molmil
Caspase 3 V266M
Descriptor: ACE-ASP-GLU-VAL-ASK, AZIDE ION, Caspase-3
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-22
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IAJ
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BU of 5iaj by Molmil
Caspase 3 V266L
Descriptor: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-21
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5I9B
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BU of 5i9b by Molmil
Caspase 3 V266A
Descriptor: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-19
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IBC
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BU of 5ibc by Molmil
Caspase 3 V266I
Descriptor: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-22
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5I9T
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BU of 5i9t by Molmil
Caspase 3 V266C
Descriptor: ACE-ASP-GLU-VAL-ASK, ACETATE ION, Caspase-3
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-20
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016

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数据于2024-05-29公开中

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