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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
Descriptor: 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
Authors:Korste, A, Vetter, I.R, Stoll, R.
Deposit date:2014-06-18
Release date:2015-10-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure Analysis of full-length Bcl-XL in complex with the inhibitor ABT-263
TO BE PUBLISHED
4PPI
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BU of 4ppi by Molmil
Crystal structure of Bcl-xL hexamer
Descriptor: Bcl-2-like protein 1, GLYCEROL
Authors:Sreekanth, R, Yoon, H.S.
Deposit date:2014-02-27
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.851 Å)
Cite:Structural transition in Bcl-xL and its potential association with mitochondrial calcium ion transport
Sci Rep, 5, 2015
4MAN
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BU of 4man by Molmil
Bcl_2-Navitoclax Analog (with Indole) Complex
Descriptor: 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
Authors:Park, C.H.
Deposit date:2013-08-16
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite: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
Descriptor: 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
Authors:Park, C.H.
Deposit date:2013-07-29
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
4LVT
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BU of 4lvt by Molmil
Bcl_2-Navitoclax (ABT-263) Complex
Descriptor: 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
Authors:Park, C.H.
Deposit date:2013-07-26
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
NAT.MED. (N.Y.), 19, 2013
4K5B
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BU of 4k5b by Molmil
Co-crystallization with conformation-specific designed ankyrin repeat proteins explains the conformational flexibility of BCL-W
Descriptor: Apoptosis regulator BCL-W, Bcl-2-like protein 2
Authors:Schilling, J, Schoeppe, J, Sauer, E, Plueckthun, A.
Deposit date:2013-04-14
Release date:2014-04-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Co-Crystallization with Conformation-Specific Designed Ankyrin Repeat Proteins Explains the Conformational Flexibility of BCL-W
J.Mol.Biol., 426, 2014
4K5A
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BU of 4k5a by Molmil
Co-crystallization with conformation-specific designed ankyrin repeat proteins explains the conformational flexibility of BCL-W
Descriptor: Bcl-2-like protein 2, Designed Ankyrin Repeat Protein 013_D12
Authors:Schilling, J, Schoeppe, J, Sauer, E, Plueckthun, A.
Deposit date:2013-04-14
Release date:2014-04-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Co-Crystallization with Conformation-Specific Designed Ankyrin Repeat Proteins Explains the Conformational Flexibility of BCL-W
J.Mol.Biol., 426, 2014
4IEH
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BU of 4ieh by Molmil
Crystal Structure of human Bcl-2 in complex with a small molecule inhibitor targeting Bcl-2 BH3 domain interactions
Descriptor: Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, N-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide
Authors:Xie, X, Kulathila, R.
Deposit date:2012-12-13
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of the acidity of N-heteroaryl sulfonamides as inhibitors of bcl-2 family protein-protein interactions.
ACS Med Chem Lett, 4, 2013
4HNJ
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BU of 4hnj by Molmil
Crystallographic structure of BCL-xL domain-swapped dimer in complex with PUMA BH3 peptide at 2.9A resolution
Descriptor: Bcl-2-binding component 3, Bcl-2-like protein 1
Authors:Fisher, J.C, Yun, M.K, White, S.W.
Deposit date:2012-10-19
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:PUMA binding induces partial unfolding within BCL-xL to disrupt p53 binding and promote apoptosis.
Nat.Chem.Biol., 9, 2013
4EHR
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BU of 4ehr by Molmil
Crystal structure of Bcl-Xl complex with 4-(5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl)-3-(3,4-dihydro-2(1h)-isoquinolinylcarbonyl)-n-((2-(trimethylsilyl)ethyl)sulfonyl)benzamide
Descriptor: 4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-N-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide, Bcl-2-like protein 1, IMIDAZOLE
Authors:Schroeder, G.M, Wei, D, Banfi, P, Cai, Z, Lippy, J, Menichincheri, M, Modugno, M, Naglich, J, Penhallow, B, Perez, H.L, Sack, J, Schmidt, R.J, Tebben, A, Yan, C, Zhang, L, Galvani, A, Lombardo, L.J, Borzilleri, R.M.
Deposit date:2012-04-03
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Pyrazole and pyrimidine phenylacylsulfonamides as dual Bcl-2/Bcl-xL antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
4CIN
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BU of 4cin by Molmil
Complex of Bcl-xL with its BH3 domain
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BCL-2-LIKE PROTEIN 1, ...
Authors:Colman, P.M, Lee, E.F, Fairlie, W.D.
Deposit date:2013-12-12
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.693 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 2
Authors:Colman, P.M, Lee, E.F, Fairlie, W.D.
Deposit date:2013-12-12
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
4C5D
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BU of 4c5d by Molmil
Crystal structure of Bcl-xL in complex with benzoylurea compound (42)
Descriptor: (R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ...
Authors:Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E.
Deposit date:2013-09-11
Release date:2014-02-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
4C52
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BU of 4c52 by Molmil
Crystal structure of Bcl-xL in complex with benzoylurea compound (39b)
Descriptor: (R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ...
Authors:Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E.
Deposit date:2013-09-10
Release date:2014-02-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
4BPK
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BU of 4bpk by Molmil
Bcl-xL bound to alpha beta Puma BH3 peptide 5
Descriptor: 1,2-ETHANEDIOL, ALPHA BETA BH3-PEPTIDE, BCL-2-LIKE PROTEIN 1, ...
Authors:Smith, B.J, Lee, E.F, Checco, J.W, Gellman, S.H, Fairlie, W.D.
Deposit date:2013-05-27
Release date:2014-04-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins.
Chembiochem, 14, 2013
4AQ3
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BU of 4aq3 by Molmil
HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR
Descriptor: APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide
Authors:Bertrand, J.A, Fasolini, M, Modugno, M.
Deposit date:2012-04-12
Release date:2012-06-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of a Phenylacylsulfonamide Series of Dual Bcl-2/Bcl-Xl Antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
4A1W
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BU of 4a1w by Molmil
Crystal structure of alpha-beta foldamer 4c in complex with Bcl-xL
Descriptor: ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1
Authors:Boersma, M.D, Haase, H.S, Kaufman, K.J, Horne, W.S, Lee, E.F, Clarke, O.B, Smith, B.J, Colman, P.M, Gellman, S.H, Fairlie, W.D.
Deposit date:2011-09-20
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Evaluation of Diverse Alpha/Beta-Backbone Patterns for Functional Alpha-Helix Mimicry: Analogues of the Bim Bh3 Domain.
J.Am.Chem.Soc., 134, 2012
4A1U
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BU of 4a1u by Molmil
Crystal structure of alpha-beta-foldamer 2c in complex with Bcl-xL
Descriptor: ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1, CHLORIDE ION, ...
Authors:Boersma, M.D, Haase, H.S, Kaufman, K.J, Horne, W.S, Lee, E.F, Clarke, O.B, Smith, B.J, Colman, P.M, Gellman, S.H, Fairlie, W.D.
Deposit date:2011-09-20
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Evaluation of Diverse Alpha/Beta-Backbone Patterns for Functional Alpha-Helix Mimicry: Analogues of the Bim Bh3 Domain.
J.Am.Chem.Soc., 134, 2012
3ZLR
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BU of 3zlr by Molmil
Crystal structure of BCL-XL in complex with inhibitor (WEHI-539)
Descriptor: 1,2-ETHANEDIOL, 5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid, BCL-2-LIKE PROTEIN 1, ...
Authors:Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
Deposit date:2013-02-04
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.026 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3ZLO
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BU of 3zlo by Molmil
Crystal structure of BCL-XL in complex with inhibitor (Compound 6)
Descriptor: 2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid, BCL-2-LIKE PROTEIN 1
Authors:Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
Deposit date:2013-02-04
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3ZLN
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BU of 3zln by Molmil
Crystal structure of BCL-XL in complex with inhibitor (Compound 3)
Descriptor: 1,2-ETHANEDIOL, 6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid, BCL-2-LIKE PROTEIN 1, ...
Authors:Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
Deposit date:2013-02-04
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3ZK6
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BU of 3zk6 by Molmil
Crystal structure of Bcl-xL in complex with inhibitor (Compound 2).
Descriptor: BCL-2-LIKE PROTEIN 1, N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide
Authors:Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
Deposit date:2013-01-22
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3WIZ
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BU of 3wiz by Molmil
Crystal structure of Bcl-xL in complex with compound 10
Descriptor: 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
Authors:Sogabe, S, Igaki, S, Hayano, Y.
Deposit date:2013-09-26
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
3SPF
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BU of 3spf by Molmil
Crystal Structure of Bcl-xL bound to BM501
Descriptor: 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2011-07-01
Release date:2012-06-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold.
J.Med.Chem., 55, 2012
3SP7
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BU of 3sp7 by Molmil
Crystal Structure of Bcl-xL bound to BM903
Descriptor: 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1H-pyrrole-3-carboxylic acid, ACETATE ION, Bcl-2-like protein 1, ...
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2011-07-01
Release date:2012-07-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-based design of a new class of potent Bcl-2/Bcl-xL inhibitors
To be Published

221051

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