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4U2U
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Bak domain swapped dimer induced by BidBH3 with CHAPS
分子名称: Bcl-2 homologous antagonist/killer
著者Brouwer, J.M, Colman, P.M, Czabotar, P.E.
登録日2014-07-18
公開日2014-09-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Bak Core and Latch Domains Separate during Activation, and Freed Core Domains Form Symmetric Homodimers.
Mol.Cell, 55, 2014
4WGI
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BU of 4wgi by Molmil
A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1)
分子名称: (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid, FORMIC ACID, MAGNESIUM ION, ...
著者Clifton, M.C, Fairman, J.W, Fang, C, D'Souza, B, Fulroth, B, Leed, A, McCarren, P, Wang, L, Wang, Y, Kaushik, V, Palmer, M, Wei, G, Golub, T.R, Hubbard, B.K, Serrano-Wu, M.H.
登録日2014-09-18
公開日2014-11-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1).
Acs Med.Chem.Lett., 5, 2014
4WMW
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BU of 4wmw by Molmil
The structure of MBP-MCL1 bound to ligand 5 at 1.9A
分子名称: 1,2-ETHANEDIOL, 2-hydroxy-5-(methylsulfanyl)benzoic acid, FORMIC ACID, ...
著者Clifton, M.C, Dranow, D.M.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
4WMS
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BU of 4wms by Molmil
STRUCTURE OF APO MBP-MCL1 AT 1.9A
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ...
著者Clifton, M.C, Dranow, D.M.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
4WMR
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BU of 4wmr by Molmil
STRUCTURE OF MCL1 BOUND TO BRD inhibitor ligand 1 AT 1.7A
分子名称: 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, PYROPHOSPHATE 2-, ...
著者CLIFTON, M.C, EDWARDS, T.E.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
4WMX
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BU of 4wmx by Molmil
The structure of MBP-MCL1 bound to ligand 6 at 2.0A
分子名称: 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid, FORMIC ACID, MAGNESIUM ION, ...
著者Clifton, M.C, Dranow, D.M.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
4WMV
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BU of 4wmv by Molmil
STRUCTURE OF MBP-MCL1 BOUND TO ligand 4 AT 2.4A
分子名称: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ...
著者Clifton, M.C, Moulin, A.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
4WMT
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BU of 4wmt by Molmil
STRUCTURE OF MBP-MCL1 BOUND TO ligand 1 AT 2.35A
分子名称: 1,2-ETHANEDIOL, 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, FORMIC ACID, ...
著者Clifton, M.C, Dranow, D.M.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
4WMU
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BU of 4wmu by Molmil
STRUCTURE OF MBP-MCL1 BOUND TO ligand 2 AT 1.55A
分子名称: 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, FORMIC ACID, ...
著者Clifton, M.C, Faiman, J.W.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
4S0O
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BU of 4s0o by Molmil
Crystal Structure of the Autoinhibited Dimer of Pro-apoptotic BAX (I)
分子名称: Apoptosis regulator BAX
著者Priyadarshi, A, Gavathiotis, E.
登録日2015-01-02
公開日2016-07-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An Autoinhibited Dimeric Form of BAX Regulates the BAX Activation Pathway.
Mol.Cell, 63, 2016
4S0P
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Crystal Structure of the Autoinhibited Dimer of Pro-apoptotic BAX (II)
分子名称: Apoptosis regulator BAX
著者Priyadarshi, A, Gavathiotis, E.
登録日2015-01-04
公開日2016-07-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.252 Å)
主引用文献An Autoinhibited Dimeric Form of BAX Regulates the BAX Activation Pathway.
Mol.Cell, 63, 2016
5AGW
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BU of 5agw by Molmil
Bcl-2 alpha beta-1 complex
分子名称: APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11
著者Smith, B.J, F Lee, E, Checco, J.W, Gellman, S.H, Fairlie, W.D.
登録日2015-02-04
公開日2015-09-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献Alpha Beta Peptide Foldamers Targeting Intracellular Protein-Protein Interactions with Activity on Living Cells
J.Am.Chem.Soc., 137, 2015
5AGX
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BU of 5agx by Molmil
Bcl-2 alpha beta-1 LINEAR complex
分子名称: APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11
著者Smith, B.J, F Lee, E, Checco, J.W, Gellman, S.H, Fairlie, W.D.
登録日2015-02-04
公開日2015-09-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Alpha Beta Peptide Foldamers Targeting Intracellular Protein-Protein Interactions with Activity on Living Cells
J.Am.Chem.Soc., 137, 2015
4YJ4
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BU of 4yj4 by Molmil
Crystal structure of Bcl-xL in complex with the BIM BH3 domain containing Ile155-to-Arg and Glu158-to-phosphoserine mutations
分子名称: ACETATE ION, Bcl-2-like protein 1, BIM BH3 domain, ...
著者Ku, B, Ha, N.-C, Oh, B.-H.
登録日2015-03-03
公開日2015-07-29
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conversion of cell-survival activity of Akt into apoptotic death of cancer cells by two mutations on the BIM BH3 domain.
Cell Death Dis, 6, 2015
4YK9
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BU of 4yk9 by Molmil
Complex structure of BCL-XL and mutated BIM BH3 domain
分子名称: ACETATE ION, BH3BIM, Bcl-2-like protein 1, ...
著者Ha, N.C, Kim, J.S.
登録日2015-03-04
公開日2016-04-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Complex structure of BCL-XL and mutated BIM BH3 domain
To be published
4Z9V
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BU of 4z9v by Molmil
TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL
分子名称: BICARBONATE ION, Bcl-2-like protein 1,APOPTOSIS REGULATOR BCL-XL, SODIUM ION, ...
著者Cura, V, Agez, M, Thebault, S, Cavarelli, J.
登録日2015-04-12
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL.
Sci Rep, 6, 2016
4ZBF
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BU of 4zbf by Molmil
Mcl-1 complexed with small molecules
分子名称: (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2015-04-14
公開日2015-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
4ZBI
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BU of 4zbi by Molmil
Mcl-1 complexed with small molecules
分子名称: 1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2015-04-14
公開日2015-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
4ZEQ
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BU of 4zeq by Molmil
Crystal Structure of human BFL-1 in complex with tBid BH3 peptide, Northeast Structural Genomics Consortium Target HX9247
分子名称: BH3-interacting domain death agonist, Bcl-2-related protein A1
著者Guan, R, Xiao, R, Mao, L, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2015-04-20
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of human BFL-1 in complex with tBid BH3 peptide
To Be Published
4ZIE
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BU of 4zie by Molmil
Crystal Structure of core/latch dimer of Bax in complex with BimBH3
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2-like protein 11
著者Krishna Kumar, K, Robin, A.Y, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E.
登録日2015-04-28
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
4ZIH
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BU of 4zih by Molmil
Crystal Structure of core/latch dimer of Bax in complex with BimBH3mini
分子名称: Apoptosis regulator BAX, Bcl-2-like protein 11
著者Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E.
登録日2015-04-28
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
4ZIF
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BU of 4zif by Molmil
Crystal Structure of core/latch dimer of Bax in complex with BimBH3mini
分子名称: Apoptosis regulator BAX, Bcl-2-like protein 11
著者Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E.
登録日2015-04-28
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
4ZII
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BU of 4zii by Molmil
Crystal Structure of core/latch dimer of BaxI66A in complex with BidBH3
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BAX, BH3-interacting domain death agonist
著者Czabotar, P.E, Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M.
登録日2015-04-28
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.191 Å)
主引用文献Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
4ZIG
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BU of 4zig by Molmil
Crystal Structure of core/latch dimer of Bax in complex with BidBH3mini
分子名称: Apoptosis regulator BAX, BH3-interacting domain death agonist
著者Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E.
登録日2015-04-28
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
5C3F
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BU of 5c3f by Molmil
Crystal structure of Mcl-1 bound to BID-MM
分子名称: BID-MM, GLYCEROL, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Miles, J.A, Yeo, D.J, Rowell, P, Rodriguez-Marin, S, Pask, C.M, Warriner, S.L, Edwards, T.A, Wilson, A.J.
登録日2015-06-17
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Hydrocarbon constrained peptides - understanding preorganisation and binding affinity.
Chem Sci, 7, 2016

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件を2024-05-15に公開中

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