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7RN7
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BU of 7rn7 by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VD(Aly)VD-CHO
分子名称: Ac-VD(Aly)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-01-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: Ac-VDRVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-01-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: Ac-VDFVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-01-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献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
分子名称: Ac-VDKVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-01-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献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
分子名称: Ac-ITV(Dab)D-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-06-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: Ac-ITAKD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-06-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献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
分子名称: Ac-VDVVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-06-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural Studies to Enable Drug Discovery
Thesis, 2021
4AF8
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BU of 4af8 by Molmil
The structural basis for metacaspase substrate specificity and activation
分子名称: CHLORIDE ION, METACASPASE MCA2, SODIUM ION
著者McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C.
登録日2012-01-18
公開日2012-05-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of a Trypanosoma Brucei Metacaspase.
Proc.Natl.Acad.Sci.USA, 109, 2012
3V4O
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BU of 3v4o by Molmil
Human MALT1 (caspase domain) in complex with an irreversible peptidic inhibitor
分子名称: MALT1 Inhibitor, Mucosa-associated lymphoid tissue lymphoma translocation protein 1
著者Renatus, M, Wiesmann, C.
登録日2011-12-15
公開日2012-03-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Determinants of MALT1 Protease Activity.
J.Mol.Biol., 419, 2012
3V6L
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BU of 3v6l by Molmil
Crystal Structure of caspase-6 inactivation mutation
分子名称: Caspase-6
著者Cao, Q, Wang, X.J, Liu, D.F, Li, L.F, Su, X.D.
登録日2011-12-20
公開日2012-03-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays
J.Biol.Chem., 287, 2012
3V6M
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BU of 3v6m by Molmil
Inhibition of caspase-6 activity by single mutation outside the active site
分子名称: Caspase-6
著者Cao, Q, Wang, X.J, Liu, D.F, Li, L.F, Su, X.D.
登録日2011-12-20
公開日2012-03-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.692 Å)
主引用文献Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays
J.Biol.Chem., 287, 2012
4AFV
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BU of 4afv by Molmil
THE STRUCTURE OF METACASPASE 2 FROM T. BRUCEI DETERMINED IN THE PRESENCE OF CALCIUM CHLORIDE
分子名称: METACASPASE MCA2
著者McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C.
登録日2012-01-23
公開日2012-05-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of a Trypanosoma Brucei Metacaspase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AFP
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BU of 4afp by Molmil
The structure of metacaspase 2 from T. brucei determined in the presence of Samarium
分子名称: METACASPASE MCA2, SAMARIUM (III) ION
著者McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C.
登録日2012-01-23
公開日2012-05-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of a Trypanosoma Brucei Metacaspase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AFR
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BU of 4afr by Molmil
THE STRUCTURE OF METACASPASE 2 (C213A MUTANT) FROM T. BRUCEI
分子名称: METACASPASE
著者McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C.
登録日2012-01-23
公開日2012-05-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of a Trypanosoma Brucei Metacaspase.
Proc.Natl.Acad.Sci.USA, 109, 2012
3R7N
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BU of 3r7n by Molmil
Caspase-2 bound with two copies of Ac-DVAD-CHO
分子名称: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)DVAD-CHO
著者Tang, Y, Wells, J, Arkin, M.
登録日2011-03-22
公開日2011-07-27
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
4DCP
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BU of 4dcp by Molmil
Crystal Structure of caspase 3, L168F mutant
分子名称: Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Chung, S.J, Kang, H.J, Kim, S.J.
登録日2012-01-18
公開日2012-12-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular insight into the role of the leucine residue on the L2 loop in the catalytic activity of caspases 3 and 7
Biosci.Rep., 32, 2012
4EHA
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BU of 4eha by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
登録日2012-04-02
公開日2012-06-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
3R5K
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BU of 3r5k by Molmil
A designed redox-controlled caspase-7
分子名称: Caspase-7, FORMIC ACID
著者Witkowski, W.A, Hardy, J.A.
登録日2011-03-18
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献A designed redox-controlled caspase.
Protein Sci., 20, 2011
3RJM
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BU of 3rjm by Molmil
CASPASE2 IN COMPLEX WITH CHDI LIGAND 33c
分子名称: Caspase-2, Peptide inhibitor (ACE)VDV(3PX)D-CHO
著者Abendroth, J, Lorimer, D, Stewart, L, Maillard, M, Kiselyov, A.S.
登録日2011-04-15
公開日2011-09-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Exploiting differences in caspase-2 and -3 S(2) subsites for selectivity: Structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors.
Bioorg.Med.Chem., 19, 2011
4EHH
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BU of 4ehh by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
登録日2012-04-02
公開日2012-06-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
3S70
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BU of 3s70 by Molmil
Crystal structure of active caspase-6 bound with Ac-VEID-CHO solved by As-SAD
分子名称: ACETATE ION, CACODYLATE ION, Caspase-6, ...
著者Su, X.-D, Liu, X, Wang, X.-J.
登録日2011-05-26
公開日2012-04-11
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.625 Å)
主引用文献Get phases from arsenic anomalous scattering: de novo SAD phasing of two protein structures crystallized in cacodylate buffer
Plos One, 6, 2011
3S8E
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BU of 3s8e by Molmil
Phosphorylation regulates assembly of the caspase-6 substrate-binding groove
分子名称: Caspase-6
著者Velazquez-Delgado, E.M, Hardy, J.A.
登録日2011-05-27
公開日2012-04-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Phosphorylation regulates assembly of the caspase-6 substrate-binding groove.
Structure, 20, 2012
4DCJ
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BU of 4dcj by Molmil
Crystal structure of caspase 3, L168D mutant
分子名称: Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Chung, S.J, Kang, H.J, Kim, S.J.
登録日2012-01-17
公開日2012-12-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular insight into the role of the leucine residue on the L2 loop in the catalytic activity of caspases 3 and 7
Biosci.Rep., 32, 2012
3R6G
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BU of 3r6g by Molmil
Crystal structure of active caspase-2 bound with Ac-VDVAD-CHO
分子名称: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)VDVAD-CHO
著者Tang, Y, Wells, J, Arkin, M.
登録日2011-03-21
公開日2011-07-27
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3R7S
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BU of 3r7s by Molmil
Crystal Structure of Apo Caspase2
分子名称: Caspase-2 subunit p12, Caspase-2 subunit p18
著者Tang, Y, Wells, J, Arkin, M.
登録日2011-03-22
公開日2011-07-27
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011

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