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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
3KJ0
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BU of 3kj0 by Molmil
Mcl-1 in complex with Bim BH3 mutant I2dY
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Fire, E, Grant, R.A, Keating, A.E.
Deposit date:2009-11-02
Release date:2010-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
1R2G
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BU of 1r2g by Molmil
Human Bcl-XL containing a Phe to Trp mutation at position 97
Descriptor: Apoptosis regulator Bcl-X
Authors:O'Neill, J.W, Manion, M.K, Giedt, C.D, Kim, K.M, Zhang, K.Y, Hockenbery, D.M.
Deposit date:2003-09-26
Release date:2004-02-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Bcl-XL mutations suppress cellular sensitivity to antimycin A.
J.Biol.Chem., 279, 2004
3KJ1
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Mcl-1 in complex with Bim BH3 mutant I2dA
Descriptor: ACETATE ION, Bcl-2-like protein 11, CHLORIDE ION, ...
Authors:Fire, E, Grant, R.A, Keating, A.E.
Deposit date:2009-11-02
Release date:2010-02-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
6GL8
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BU of 6gl8 by Molmil
Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746
Descriptor: Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
Authors:Casara, P, Davidson, J, Claperon, A, Le Toumelin-Braizat, G, Vogler, M, Bruno, A, Chanrion, M, Lysiak-Auvity, G, Le Diguarher, T, Starck, J.B, Chen, I, Whitehead, N, Graham, C, Matassova, N, Dokurno, P, Pedder, C, Wang, Y, Qiu, S, Girard, A.M, Schneider, E, Grave, F, Studeny, A, Guasconi, G, Rocchetti, F, Maiga, S, Henlin, J.M, Colland, F, Kraus-Berthier, L, Le Gouill, S, Dyer, M.J.S, Hubbard, R, Wood, M, Amiot, M, Cohen, G.M, Hickman, J.A, Morris, E, Murray, J, Geneste, O.
Deposit date:2018-05-23
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth.
Oncotarget, 9, 2018
1R2I
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BU of 1r2i by Molmil
Human Bcl-XL containing a Phe to Leu mutation at position 146
Descriptor: Apoptosis regulator Bcl-X
Authors:O'Neill, J.W, Manion, M.K, Giedt, C.D, Kim, K.M, Zhang, K.Y, Hockenbery, D.M.
Deposit date:2003-09-26
Release date:2004-02-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Bcl-XL mutations suppress cellular sensitivity to antimycin A.
J.Biol.Chem., 279, 2004
1R2E
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BU of 1r2e by Molmil
Human Bcl-XL containing a Glu to Leu mutation at position 92
Descriptor: Apoptosis regulator Bcl-X
Authors:O'Neill, J.W, Manion, M.K, Giedt, C.D, Kim, K.M, Zhang, K.Y, Hockenbery, D.M.
Deposit date:2003-09-26
Release date:2004-02-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bcl-XL mutations suppress cellular sensitivity to antimycin A.
J.Biol.Chem., 279, 2004
3KJ2
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BU of 3kj2 by Molmil
Mcl-1 in complex with Bim BH3 mutant F4aE
Descriptor: ACETATE ION, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Fire, E, Grant, R.A, Keating, A.E.
Deposit date:2009-11-02
Release date:2010-02-16
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
1R2H
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BU of 1r2h by Molmil
Human Bcl-XL containing an Ala to Leu mutation at position 142
Descriptor: Apoptosis regulator Bcl-X
Authors:O'Neill, J.W, Manion, M.K, Giedt, C.D, Kim, K.M, Zhang, K.Y, Hockenbery, D.M.
Deposit date:2003-09-26
Release date:2004-02-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bcl-XL mutations suppress cellular sensitivity to antimycin A.
J.Biol.Chem., 279, 2004
1R2D
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BU of 1r2d by Molmil
Structure of Human Bcl-XL at 1.95 Angstroms
Descriptor: Apoptosis regulator Bcl-X
Authors:O'Neill, J.W, Manion, M.K, Giedt, C.D, Kim, K.M, Zhang, K.Y, Hockenbery, D.M.
Deposit date:2003-09-26
Release date:2004-02-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Bcl-XL mutations suppress cellular sensitivity to antimycin A.
J.Biol.Chem., 279, 2004
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
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
6IWB
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BU of 6iwb by Molmil
Crystal structure of a computationally designed protein (LD3) in complex with BCL-2
Descriptor: Apolipoprotein E, Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, SULFATE ION
Authors:Kim, S, Kwak, M.J, Oh, B.-H, Correia, B.E, Gainza, P.
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A computationally designed chimeric antigen receptor provides a small-molecule safety switch for T-cell therapy.
Nat.Biotechnol., 38, 2020
3MQP
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BU of 3mqp by Molmil
Crystal Structure of human BFL-1 in complex with NOXA BH3 peptide, Northeast Structural Genomics Consortium Target HR2930
Descriptor: Bcl-2-related protein A1, Phorbol-12-myristate-13-acetate-induced protein 1
Authors:Guan, R, Xiao, R, Zhao, L, Acton, T.B, Gelinas, C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-04-28
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal Structure of human BFL-1 in complex with NOXA BH3 peptide
To be Published
6IJQ
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BU of 6ijq by Molmil
Solution structure of BCL-XL bound to P73-TAD peptide
Descriptor: Bcl-2-like protein 1,Bcl-2-like protein 1, Tumor protein p73
Authors:Yoon, M.-K, Ha, J.-H, Lee, M.-S, Chi, S.-W.
Deposit date:2018-10-11
Release date:2018-11-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Cytoplasmic pro-apoptotic function of the tumor suppressor p73 is mediated through a modified mode of recognition of the anti-apoptotic regulator Bcl-XL.
J. Biol. Chem., 293, 2018
8EL0
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BU of 8el0 by Molmil
Structure of MBP-Mcl-1 in complex with a macrocyclic compound
Descriptor: (7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Judge, R.A, Judd, A.S, Souers, A.J.
Deposit date:2022-09-22
Release date:2023-10-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.917 Å)
Cite:Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
8EL1
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BU of 8el1 by Molmil
Structure of MBP-Mcl-1 in complex with ABBV-467
Descriptor: (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Judge, R.A, Judd, A.S, Souers, A.J.
Deposit date:2022-09-22
Release date:2023-10-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
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
8EKX
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BU of 8ekx by Molmil
Structure of MBP-Mcl-1 in complex with MIK665
Descriptor: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Judge, R.A, Judd, A.S, Souers, A.J.
Deposit date:2022-09-22
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
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
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
1TY4
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BU of 1ty4 by Molmil
Crystal structure of a CED-9/EGL-1 complex
Descriptor: Apoptosis regulator ced-9, EGg Laying defective EGL-1, programmed cell death activator
Authors:Yan, N, Gu, L, Kokel, D, Xue, D, Shi, Y.
Deposit date:2004-07-07
Release date:2004-09-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural, Biochemical, and Functional Analyses of CED-9 Recognition by the Proapoptotic Proteins EGL-1 and CED-4
Mol.Cell, 15, 2004
7Y99
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BU of 7y99 by Molmil
Crystal Structure Analysis of cp2 bound BCLxl
Descriptor: Bcl-2-like protein 1, CP2 peptide, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
Authors:Li, F.W, Liu, C, Wu, C.L, Wu, D.L.
Deposit date:2022-06-24
Release date:2023-09-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
7YB7
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BU of 7yb7 by Molmil
anti-apoptotic protein BCL-2-M12
Descriptor: Apoptosis regulator Bcl-2,Bcl-2-like protein 1, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide, cp2 peptide
Authors:Li, F.W, Liu, C, Wu, D.L.
Deposit date:2022-06-29
Release date:2023-11-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
7Y90
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Crystal Structure Analysis of cp1 bound BCL2
Descriptor: (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide
Authors:Li, F.W.
Deposit date:2022-06-24
Release date:2023-11-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024

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