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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
6BFJ
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BU of 6bfj by Molmil
Caspase-3 Mutant - T245D,S249D
分子名称: AZIDE ION, Ac-Asp-Glu-Val-Asp-CMK, Caspase-3
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-26
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.543 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6BG0
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BU of 6bg0 by Molmil
Caspase-3 Mutant - D9A,D28A,S150D
分子名称: AC-ASP-GLU-VAL-ASP-CMK, AZIDE ION, Caspase-3, ...
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-27
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2.125 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6BFL
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BU of 6bfl by Molmil
Caspase-3 Mutant- D9A,D28A,T245D
分子名称: AC-ASP-GLU-VAL-ASP-CMK, AZIDE ION, Caspase-3
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-26
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6BFO
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BU of 6bfo by Molmil
Caspase-3 Mutant- T245D
分子名称: AC-ASP-GLU-VAL-ASP-CMK, AZIDE ION, Caspase-3, ...
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-26
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6BG4
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BU of 6bg4 by Molmil
Caspase-3 Mutant- T152D
分子名称: AC-ASP-GLU-VAL-ASP-CMK, AZIDE ION, CHLORIDE ION, ...
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-27
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6BFK
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BU of 6bfk by Molmil
Caspase-3 Mutant- T245A
分子名称: AC-ASP-GLU-VAL-ASP-CMK, Caspase-3, SODIUM ION
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-26
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.753 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6BDV
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BU of 6bdv by Molmil
Crystal structure of Caspase 3 S150A
分子名称: AZIDE ION, Acetyl-Asp-Glu-Val-Asp-CMK, CHLORIDE ION, ...
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-24
公開日2018-02-14
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.938 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6BG1
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BU of 6bg1 by Molmil
Caspase-3 Mutant - D9A,D28A,S150E
分子名称: AC-ASP-GLU-VAL-ASP-CMK, Caspase-3, SODIUM ION
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-27
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6BGR
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BU of 6bgr by Molmil
Caspase-3 Mutant - S150E
分子名称: AZIDE ION, Ac-Asp-Glu-Val-Asp-CMK, Caspase-3
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-29
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6CL0
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BU of 6cl0 by Molmil
Human caspase-3 in complex with Ac-ATS009-KE
分子名称: ACE-1MH-ASP-PF5-PHE-1U8, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2018-03-01
公開日2019-03-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
6CL1
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BU of 6cl1 by Molmil
Caspase-7 in complex with Ac-DW3-KE
分子名称: ACE-1MH-ASP-B3L-PHE-1U8, Caspase-7 subunit p11, Caspase-7 subunit p20
著者Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2018-03-01
公開日2019-03-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
6BH9
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BU of 6bh9 by Molmil
Caspase-3 Mutant - T152A
分子名称: Ac-Asp-Glu-Val-Asp-CMK, CHLORIDE ION, Caspase-3, ...
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-30
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6BGS
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BU of 6bgs by Molmil
Caspase-3 Mutant - S150Y
分子名称: Ac-Asp-Glu-Val-Asp-CMK, Caspase-3
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-29
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6CL2
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BU of 6cl2 by Molmil
Caspase-7 in complex with Ac-ATS009-KE
分子名称: ACE-1MH-ASP-PF5-PHE-1U8, Caspase-7 subunit p11, Caspase-7 subunit p20
著者Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2018-03-01
公開日2019-03-06
最終更新日2020-09-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
6CKZ
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BU of 6ckz by Molmil
Human caspase-3 in complex with Ac-DW3-KE
分子名称: ACE-1MH-ASP-B3L-PHE-1U8, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2018-03-01
公開日2019-03-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
6BGQ
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BU of 6bgq by Molmil
Caspase-3 Mutant - S150D
分子名称: AZIDE ION, Ac-Asp-Glu-Val-Asp-CMK, CHLORIDE ION, ...
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-29
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6BHA
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BU of 6bha by Molmil
Caspase-3 Mutant - T152V
分子名称: Ac-Asp-Glu-Val-Asp-CMK, Caspase-3
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-30
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6BGK
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BU of 6bgk by Molmil
Caspase-3 Mutant- D9A,D28A,T152D
分子名称: ACE-ASP-GLU-VAL-ASP-0QE, AZIDE ION, CHLORIDE ION, ...
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-28
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6BZ9
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BU of 6bz9 by Molmil
Crystal structure of human caspase-1 in complex with Ac-FLTD-CMK
分子名称: Ac-FLTD-CMK, Caspase-1, DI(HYDROXYETHYL)ETHER
著者Xiao, T.S, Yang, J, Liu, Z, Wang, C, Yang, R.
登録日2017-12-22
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Mechanism of gasdermin D recognition by inflammatory caspases and their inhibition by a gasdermin D-derived peptide inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DEU
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BU of 6deu by Molmil
Human caspase-6 A109T
分子名称: Caspase-6
著者Tubeleviciute-Aydin, A, Beautrait, A, Lynham, J, Sharma, G, Gorelik, A, Deny, L.J, Soya, N, Lukacs, G.L, Nagar, B, Marinier, A, LeBlanc, A.C.
登録日2018-05-13
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Identification of Allosteric Inhibitors against Active Caspase-6.
Sci Rep, 9, 2019
6DEV
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BU of 6dev by Molmil
Human caspase-6 E35K
分子名称: Caspase-6
著者Tubeleviciute-Aydin, A, Beautrait, A, Lynham, J, Sharma, G, Gorelik, A, Deny, L.J, Soya, N, Lukacs, G.L, Nagar, B, Marinier, A, LeBlanc, A.C.
登録日2018-05-13
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.348 Å)
主引用文献Identification of Allosteric Inhibitors against Active Caspase-6.
Sci Rep, 9, 2019
7PAW
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BU of 7paw by Molmil
MALT1 in complex with compound 1
分子名称: Mucosa-associated lymphoid tissue lymphoma translocation protein 1, ~{N}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{N}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
著者Kack, H, Oster, L.
登録日2021-07-30
公開日2021-11-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Discovery and optimization of cyclohexane-1,4-diamines as allosteric MALT1 inhibitors.
Eur.J.Med.Chem., 227, 2021

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