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PDB: 414 件
3KJ2
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BU of 3kj2 by Molmil
Mcl-1 in complex with Bim BH3 mutant F4aE
分子名称: ACETATE ION, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
著者Fire, E, Grant, R.A, Keating, A.E.
登録日2009-11-02
公開日2010-02-16
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
8EL0
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BU of 8el0 by Molmil
Structure of MBP-Mcl-1 in complex with a macrocyclic compound
分子名称: (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
著者Judge, R.A, Judd, A.S, Souers, A.J.
登録日2022-09-22
公開日2023-10-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.917 Å)
主引用文献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
分子名称: (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
著者Judge, R.A, Judd, A.S, Souers, A.J.
登録日2022-09-22
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献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
8EKX
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BU of 8ekx by Molmil
Structure of MBP-Mcl-1 in complex with MIK665
分子名称: (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
著者Judge, R.A, Judd, A.S, Souers, A.J.
登録日2022-09-22
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
8GSV
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BU of 8gsv by Molmil
Crystal structure of human BAK in complex with the Pxt1 BH3 domain
分子名称: Bcl-2 homologous antagonist/killer, Peroxisomal testis-specific protein 1
著者Lim, D, Ku, B.
登録日2022-09-07
公開日2023-05-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for proapoptotic activation of Bak by the noncanonical BH3-only protein Pxt1.
Plos Biol., 21, 2023
8HLM
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BU of 8hlm by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 2)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Guo, M, Wang, H, Wei, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.522 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLN
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BU of 8hln by Molmil
Crystal structure of p53/BCL2 fusion complex(complex3)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Guo, M, Wei, H, Wang, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLL
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BU of 8hll by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 1)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Wei, H, Guo, M, Wang, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
6VBX
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BU of 6vbx by Molmil
Crystal structure of Mcl-1 in complex with 138E12 peptide, Lys-covalent antagonist
分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1, Synthetic peptide
著者Pellecchia, M, Perry, J.J, Kenjic, N, Assar, Z.
登録日2019-12-19
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, Synthesis, and Structural Characterization of Lysine Covalent BH3 Peptides Targeting Mcl-1.
J.Med.Chem., 64, 2021
6UVC
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BU of 6uvc by Molmil
Crystal structure of BCL-XL bound to compound 8: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
分子名称: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVE
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BU of 6uve by Molmil
Crystal structure of BCL-XL bound to compound 7: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
分子名称: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVD
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BU of 6uvd by Molmil
Crystal structure of BCL-XL bound to compound 2: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid
分子名称: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVH
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BU of 6uvh by Molmil
Crystal structure of BCL-XL bound to compound 15: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
分子名称: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVF
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BU of 6uvf by Molmil
Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
分子名称: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVG
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BU of 6uvg by Molmil
Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid
分子名称: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6VWC
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BU of 6vwc by Molmil
Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based inhibitors
分子名称: 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid, Bcl-2-like protein 1
著者Judge, R.A, Judd, A.S.
登録日2020-02-19
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Discovery of A-1331852, a First-in-Class, Potent, and Orally-Bioavailable BCL-X L Inhibitor.
Acs Med.Chem.Lett., 11, 2020
2LP8
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SOLUTION STRUCTURE OF AN APOPTOSIS ACTIVATING PHOTOSWITCHABLE BAK PEPTIDE BOUND to BCL-XL
分子名称: 3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 1
著者Wysoczanski, P, Mart, R.J, Loveridge, J.E, Williams, C, Whittaker, S.B.-M, Crump, M.P, Allemann, R.K.
登録日2012-02-03
公開日2012-04-18
最終更新日2021-08-18
実験手法SOLUTION NMR
主引用文献NMR Solution Structure of a Photoswitchable Apoptosis Activating Bak Peptide Bound to Bcl-x(L).
J.Am.Chem.Soc., 134, 2012
2LPC
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BU of 2lpc by Molmil
NMR STRUCTURE of Bcl-XL
分子名称: Bcl-2-like protein 1
著者Wysoczanski, P, Mart, R.J, Loveridge, J.E, Williams, C, Whittaker, S.B.-M, Crump, M.P, Allemann, R.K.
登録日2012-02-09
公開日2012-03-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR Solution Structure of a Photoswitchable Apoptosis Activating Bak Peptide Bound to Bcl-x(L).
J.Am.Chem.Soc., 134, 2012
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
2M04
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BU of 2m04 by Molmil
Solution structure of BCL-xL in complex with PUMA BH3 peptide
分子名称: Bcl-2-binding component 3, Bcl-2-like protein 1
著者Viacava Follis, A, Royappa, G, Kriwacki, R.W.
登録日2012-10-19
公開日2013-01-30
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献PUMA binding induces partial unfolding within BCL-xL to disrupt p53 binding and promote apoptosis.
Nat.Chem.Biol., 9, 2013
2M03
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BU of 2m03 by Molmil
Solution structure of BCL-xL determined with selective isotope labelling of I,L,V sidechains
分子名称: Bcl-2-like protein 1
著者Viacava Follis, A, Royappa, G, Kriwacki, R.W.
登録日2012-10-19
公開日2013-01-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献PUMA binding induces partial unfolding within BCL-xL to disrupt p53 binding and promote apoptosis.
Nat.Chem.Biol., 9, 2013
2O2F
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BU of 2o2f by Molmil
Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand
分子名称: 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-2
著者Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W.
登録日2006-11-29
公開日2007-02-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O21
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Solution structure of the anti-apoptotic protein Bcl-2 in complex 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Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W.
登録日2006-11-29
公開日2007-02-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O2N
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Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand
分子名称: 4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-X
著者Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W.
登録日2006-11-30
公開日2007-02-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007

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