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1YSW
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BU of 1ysw by Molmil
Solution structure of the anti-apoptotic protein Bcl-2 complexed with an acyl-sulfonamide-based ligand
分子名称: 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2
著者Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H.
登録日2005-02-09
公開日2005-06-07
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSG
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BU of 1ysg by Molmil
Solution Structure of the Anti-apoptotic Protein Bcl-xL in Complex with "SAR by NMR" Ligands
分子名称: 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID, 5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL, Apoptosis regulator Bcl-X
著者Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H.
登録日2005-02-08
公開日2005-06-07
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSI
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BU of 1ysi by Molmil
Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand
分子名称: Apoptosis regulator Bcl-X, N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
著者Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H.
登録日2005-02-08
公開日2005-06-07
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSX
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BU of 1ysx by Molmil
Solution structure of domain 3 from human serum albumin complexed to an anti-apoptotic ligand directed against Bcl-xL and Bcl-2
分子名称: 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE, Serum albumin
著者Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H.
登録日2005-02-09
公開日2005-06-07
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSN
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BU of 1ysn by Molmil
Solution structure of the anti-apoptotic protein Bcl-xL complexed with an acyl-sulfonamide-based ligand
分子名称: 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-X
著者Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H.
登録日2005-02-08
公開日2005-06-07
最終更新日2023-11-29
実験手法SOLUTION NMR
主引用文献An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
5IF4
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BU of 5if4 by Molmil
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design
分子名称: 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2016-02-25
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
5IEZ
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BU of 5iez by Molmil
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design
分子名称: 3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indole-2-carbonyl}amino)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2016-02-25
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
5UUK
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BU of 5uuk by Molmil
Human Bfl-1 in complex with a Bfl-1-specific selected peptide
分子名称: Bcl-2-related protein A1, Bfl-1-specific selected peptide, SULFATE ION
著者Jenson, J.M, Grant, R.A, Keating, A.E.
登録日2017-02-17
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.199 Å)
主引用文献Epistatic mutations in PUMA BH3 drive an alternate binding mode to potently and selectively inhibit anti-apoptotic Bfl-1.
Elife, 6, 2017
5UUM
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BU of 5uum by Molmil
Human Mcl-1 in complex with a Bfl-1-specific selected peptide
分子名称: Bfl-1 specific peptide FS2, Induced myeloid leukemia cell differentiation protein Mcl-1, SULFATE ION, ...
著者Jenson, J.M, Grant, R.A, Keating, A.E.
登録日2017-02-17
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.346 Å)
主引用文献Epistatic mutations in PUMA BH3 drive an alternate binding mode to potently and selectively inhibit anti-apoptotic Bfl-1.
Elife, 6, 2017
5UUP
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BU of 5uup by Molmil
Human Bfl-1 covalently cross-linked to an electrophilic variant of a Bfl-1-specific selected peptide
分子名称: Bcl-2-related protein A1, Bfl-1-specific selected peptide, SULFATE ION
著者Jenson, J.M, Grant, R.A, Keating, A.E.
登録日2017-02-17
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.726 Å)
主引用文献Epistatic mutations in PUMA BH3 drive an alternate binding mode to potently and selectively inhibit anti-apoptotic Bfl-1.
Elife, 6, 2017
5UUL
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BU of 5uul by Molmil
Human Bfl-1 in complex with PUMA BH3
分子名称: Bcl-2-binding component 3, Bcl-2-related protein A1, SULFATE ION
著者Jenson, J.M, Grant, R.A, Keating, A.E.
登録日2017-02-17
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Epistatic mutations in PUMA BH3 drive an alternate binding mode to potently and selectively inhibit anti-apoptotic Bfl-1.
Elife, 6, 2017
5W89
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BU of 5w89 by Molmil
Crystal structure of human Mcl-1 in complex with modified Bim BH3 peptide SAH-MS1-18
分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, modified Bim BH3 peptide SAH-MS1-18
著者Rezaei Araghi, R, Jenson, J.M, Grant, R.A, Keating, A.E.
登録日2017-06-21
公開日2018-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5W8F
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BU of 5w8f by Molmil
Crystal structure of human Mcl-1 in complex with modified Bim BH3 peptide SAH-MS1-14
分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, modified Bim BH3 peptide SAH-MS1-14
著者Rezaei Araghi, R, Jenson, J.M, Grant, R.A, Keating, A.E.
登録日2017-06-21
公開日2018-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5UJB
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BU of 5ujb by Molmil
Structure of a Mcl-1 Inhibitor Binding to Site 3 of Human Serum Albumin
分子名称: 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, PHOSPHATE ION, Serum albumin
著者Zhao, B.
登録日2017-01-17
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of a Myeloid cell leukemia-1 (Mcl-1) inhibitor bound to drug site 3 of Human Serum Albumin.
Bioorg. Med. Chem., 25, 2017

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