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4BPK
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BU of 4bpk by Molmil
Bcl-xL bound to alpha beta Puma BH3 peptide 5
分子名称: 1,2-ETHANEDIOL, ALPHA BETA BH3-PEPTIDE, BCL-2-LIKE PROTEIN 1, ...
著者Smith, B.J, Lee, E.F, Checco, J.W, Gellman, S.H, Fairlie, W.D.
登録日2013-05-27
公開日2014-04-09
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.756 Å)
主引用文献Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins.
Chembiochem, 14, 2013
4LVT
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BU of 4lvt by Molmil
Bcl_2-Navitoclax (ABT-263) Complex
分子名称: 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2
著者Park, C.H.
登録日2013-07-26
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
4LXD
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BU of 4lxd by Molmil
Bcl_2-Navitoclax Analog (without Thiophenyl) Complex
分子名称: 4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2H-pyran-3-yl]methyl}piperazin-1-yl)-N-{[3-nitro-4-(tetrahydro-2H-pyran-4-ylamino)phenyl]sulfonyl}benzamide, Apoptosis regulator Bcl-2
著者Park, C.H.
登録日2013-07-29
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
4MAN
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BU of 4man by Molmil
Bcl_2-Navitoclax Analog (with Indole) Complex
分子名称: 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide, Apoptosis regulator Bcl-2
著者Park, C.H.
登録日2013-08-16
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
4C52
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BU of 4c52 by Molmil
Crystal structure of Bcl-xL in complex with benzoylurea compound (39b)
分子名称: (R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ...
著者Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E.
登録日2013-09-10
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
4C5D
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BU of 4c5d by Molmil
Crystal structure of Bcl-xL in complex with benzoylurea compound (42)
分子名称: (R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ...
著者Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E.
登録日2013-09-11
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
2ME9
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BU of 2me9 by Molmil
Solution structure of BCL-xL containing the alpha1-alpha2 disordered loop determined with selective isotope labelling of I,L,V sidechains
分子名称: Bcl-2-like protein 1
著者Viacava Follis, A, Grace, C.R, Kriwacki, R.W.
登録日2013-09-25
公開日2014-04-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The DNA-binding domain mediates both nuclear and cytosolic functions of p53.
Nat.Struct.Mol.Biol., 21, 2014
2ME8
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BU of 2me8 by Molmil
Solution Structure of BCL-xL in its p53-bound conformation determined with selective isotope labelling of I,L,V sidechains
分子名称: Bcl-2-like protein 1
著者Viacava Follis, A, Grace, C.R, Kriwacki, R.W.
登録日2013-09-25
公開日2014-04-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The DNA-binding domain mediates both nuclear and cytosolic functions of p53.
Nat.Struct.Mol.Biol., 21, 2014
2MEJ
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BU of 2mej by Molmil
Solution Structure of the Complex Between BCL-xL and the p53 Core Domain determined with PRE restraints
分子名称: Bcl-2-like protein 1, Cellular tumor antigen p53, ZINC ION
著者Viacava Follis, A, Grace, C.R, Kriwacki, R.W.
登録日2013-09-25
公開日2014-04-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The DNA-binding domain mediates both nuclear and cytosolic functions of p53.
Nat.Struct.Mol.Biol., 21, 2014
3WIX
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BU of 3wix by Molmil
Crystal structure of Mcl-1 in complex with compound 4
分子名称: 7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Sogabe, S, Igaki, S, Hayano, Y.
登録日2013-09-26
公開日2013-11-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
3WIY
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BU of 3wiy by Molmil
Crystal structure of Mcl-1 in complex with compound 10
分子名称: 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Sogabe, S, Igaki, S, Hayano, Y.
登録日2013-09-26
公開日2013-11-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
3WIZ
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BU of 3wiz by Molmil
Crystal structure of Bcl-xL in complex with compound 10
分子名称: 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Bcl-2-like protein 1, PHOSPHATE ION
著者Sogabe, S, Igaki, S, Hayano, Y.
登録日2013-09-26
公開日2013-11-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
2MHS
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BU of 2mhs by Molmil
NMR Structure of human Mcl-1
分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1
著者Liu, G, Poppe, L, Aoki, K, Yamane, H, Lewis, J, Szyperski, T.
登録日2013-12-04
公開日2014-05-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献High-Quality NMR Structure of Human Anti-Apoptotic Protein Domain Mcl-1(171-327) for Cancer Drug Design.
Plos One, 9, 2014
4CIN
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BU of 4cin by Molmil
Complex of Bcl-xL with its BH3 domain
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BCL-2-LIKE PROTEIN 1, ...
著者Colman, P.M, Lee, E.F, Fairlie, W.D.
登録日2013-12-12
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains
J.Biol.Chem., 289, 2014
4CIM
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BU of 4cim by Molmil
Complex of a Bcl-w BH3 mutant with a BH3 domain
分子名称: 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 2
著者Colman, P.M, Lee, E.F, Fairlie, W.D.
登録日2013-12-12
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains
J.Biol.Chem., 289, 2014
4OQ6
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BU of 4oq6 by Molmil
Crystal Structure of Human MCL-1 Bound to Inhibitor 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid
分子名称: 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C.
登録日2014-02-07
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
4OQ5
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BU of 4oq5 by Molmil
Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid
分子名称: 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C.
登録日2014-02-07
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
4OYD
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BU of 4oyd by Molmil
Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor
著者Shen, B, Procko, E, Baker, D, Stoddard, B.
登録日2014-02-11
公開日2014-07-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells.
Cell, 157, 2014
4PPI
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BU of 4ppi by Molmil
Crystal structure of Bcl-xL hexamer
分子名称: Bcl-2-like protein 1, GLYCEROL
著者Sreekanth, R, Yoon, H.S.
登録日2014-02-27
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献Structural transition in Bcl-xL and its potential association with mitochondrial calcium ion transport
Sci Rep, 5, 2015
4QNQ
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BU of 4qnq by Molmil
Crystal Structure Analysis of full-length Bcl-XL in complex with the inhibitor ABT-263
分子名称: 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Bcl-2-like protein 1
著者Korste, A, Vetter, I.R, Stoll, R.
登録日2014-06-18
公開日2015-10-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure Analysis of full-length Bcl-XL in complex with the inhibitor ABT-263
TO BE PUBLISHED
4TUH
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BU of 4tuh by Molmil
Bcl-xL in complex with inhibitor (Compound 10)
分子名称: 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid, ACETATE ION, ...
著者Czabotar, P.E, Lessense, G, Smith, B.J, Colman, P.M.
登録日2014-06-24
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Rescaffolding of Selective Antagonists of BCL-XL.
Acs Med.Chem.Lett., 5, 2014
4QVE
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BU of 4qve by Molmil
Crystal structure of Bcl-xL in complex with BID BH3 domain
分子名称: Bcl-2-like protein 1, IMIDAZOLE, Peptide from BH3-interacting domain death agonist
著者Sreekanth, R, Yoon, H.S.
登録日2014-07-14
公開日2015-06-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Bh3 induced conformational changes in Bcl-Xl revealed by crystal structure and comparative analysis.
Proteins, 83, 2015
4QVF
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BU of 4qvf by Molmil
Crystal structure of Bcl-xL in complex with BIM BH3 domain
分子名称: Bcl-2-like protein 1, Peptide from Bcl-2-like protein 11
著者Sreekanth, R, Yoon, H.S.
登録日2014-07-15
公開日2015-06-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.531 Å)
主引用文献Bh3 induced conformational changes in Bcl-Xl revealed by crystal structure and comparative analysis.
Proteins, 83, 2015
4QVX
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BU of 4qvx by Molmil
Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
分子名称: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1
著者Park, C.H.
登録日2014-07-16
公開日2015-07-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
4U2V
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BU of 4u2v by Molmil
Bak BH3-in-Groove dimer (GFP)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Green fluorescent protein,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2023-11-15
実験手法X-RAY DIFFRACTION (2.3 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

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