1F74
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![BU of 1f74 by Molmil](/molmil-images/mine/1f74) | CRYSTAL STRUCTURE ANALYSIS OF N-ACETYLNEURAMINATE LYASE FROM HAEMOPHILUS INFLUENZAE: CRYSTAL FORM II COMPLEXED WITH 4-DEOXY-SIALIC ACID | Descriptor: | 6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-2-OXONONANOIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Barbosa, J.A.R.G, Smith, B.J, DeGori, R, Lawrence, M.C. | Deposit date: | 2000-06-26 | Release date: | 2000-11-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Active site modulation in the N-acetylneuraminate lyase sub-family as revealed by the structure of the inhibitor-complexed Haemophilus influenzae enzyme. J.Mol.Biol., 303, 2000
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1F7B
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![BU of 1f7b by Molmil](/molmil-images/mine/1f7b) | CRYSTAL STRUCTURE ANALYSIS OF N-ACETYLNEURAMINATE LYASE FROM HAEMOPHILUS INFLUENZAE: CRYSTAL FORM II IN COMPLEX WITH 4-OXO-SIALIC ACID | Descriptor: | 4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACID, 6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-4-OXONONANOIC ACID, CHLORIDE ION, ... | Authors: | Barbosa, J.A.R.G, Smith, B.J, DeGori, R, Lawrence, M.C. | Deposit date: | 2000-06-26 | Release date: | 2000-11-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Active site modulation in the N-acetylneuraminate lyase sub-family as revealed by the structure of the inhibitor-complexed Haemophilus influenzae enzyme. J.Mol.Biol., 303, 2000
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1F73
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![BU of 1f73 by Molmil](/molmil-images/mine/1f73) | CRYSTAL STRUCTURE ANALYSIS OF N-ACETYLNEURAMINATE LYASE FROM HAEMOPHILUS INFLUENZAE: CRYSTAL FORM III IN COMPLEX WITH SIALIC ACID ALDITOL | Descriptor: | 2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACID, GLYCEROL, N-ACETYL NEURAMINATE LYASE | Authors: | Barbosa, J.A.R.G, Smith, B.J, DeGori, R, Lawrence, M.C. | Deposit date: | 2000-06-25 | Release date: | 2000-11-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Active site modulation in the N-acetylneuraminate lyase sub-family as revealed by the structure of the inhibitor-complexed Haemophilus influenzae enzyme. J.Mol.Biol., 303, 2000
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4TUH
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![BU of 4tuh by Molmil](/molmil-images/mine/4tuh) | Bcl-xL in complex with inhibitor (Compound 10) | Descriptor: | 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, ... | Authors: | Czabotar, P.E, Lessense, G, Smith, B.J, Colman, P.M. | Deposit date: | 2014-06-24 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Guided Rescaffolding of Selective Antagonists of BCL-XL. Acs Med.Chem.Lett., 5, 2014
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5KQV
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![BU of 5kqv by Molmil](/molmil-images/mine/5kqv) | Insulin receptor ectodomain construct comprising domains L1,CR,L2, FnIII-1 and alphaCT peptide in complex with bovine insulin and FAB 83-14 (REVISED STRUCTURE) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin, Insulin receptor,Insulin receptor, ... | Authors: | Lawrence, M.C, Smith, B.J, Croll, T.I. | Deposit date: | 2016-07-06 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | How insulin engages its primary binding site on the insulin receptor. Nature, 493, 2013
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7JMT
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![BU of 7jmt by Molmil](/molmil-images/mine/7jmt) | Crystal structure of schistosome BCL-2 bound to ABT-737 | Descriptor: | 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, BCL-2 protein | Authors: | Smith, N.A, Smith, B.J, Lee, E.F, Colman, P.M, Fairlie, W.D. | Deposit date: | 2020-08-02 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2. Acs Infect Dis., 7, 2021
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2YXJ
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![BU of 2yxj by Molmil](/molmil-images/mine/2yxj) | Crystal structure of Bcl-xL in complex with ABT-737 | Descriptor: | 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, Apoptosis regulator Bcl-X, CHLORIDE ION, ... | Authors: | Czabotar, P.E, Lee, E.F, Smith, B.J, Deshayes, K, Zobel, K, Fairlie, W.D, Colman, P.M. | Deposit date: | 2007-04-26 | Release date: | 2007-05-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of ABT-737 complexed with Bcl-xL: implications for selectivity of antagonists of the Bcl-2 family Cell Death Differ., 14, 2007
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2YJ1
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![BU of 2yj1 by Molmil](/molmil-images/mine/2yj1) | Puma BH3 foldamer in complex with Bcl-xL | Descriptor: | ALPHA-BETA-PUMA BH3 FOLDAMER, BCL-2-LIKE PROTEIN 1 | Authors: | Lee, E.F, Smith, B.J, Horne, W.S, Mayer, K.N, Evangelista, M, Colman, P.M, Gellman, S.H, Fairlie, W.D. | Deposit date: | 2011-05-18 | Release date: | 2011-10-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural Basis of Bcl-Xl Recognition by a Bh3-Mimetic Alpha-Beta-Peptide Generated Via Sequence-Based Design Chembiochem, 12, 2011
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7JGV
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![BU of 7jgv by Molmil](/molmil-images/mine/7jgv) | CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH COMPOUND 1620116, CRYSTAL FORM 2 | Descriptor: | 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid, Bcl-2-like protein 1 | Authors: | Lee, M, Fairlie, W.D, Smith, B.J, Lee, E.F. | Deposit date: | 2020-07-19 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2. Acs Infect Dis., 7, 2021
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7JGW
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![BU of 7jgw by Molmil](/molmil-images/mine/7jgw) | Crystal structure of BCL-XL in complex with COMPOUND 1620116, CRYSTAL FORM 1 | Descriptor: | 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid, Bcl-2-like protein 1 | Authors: | Lee, M, Fairlie, W.D, Smith, B.J, Lee, E.F. | Deposit date: | 2020-07-19 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2. Acs Infect Dis., 7, 2021
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3INQ
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![BU of 3inq by Molmil](/molmil-images/mine/3inq) | Crystal structure of BCL-XL in complex with W1191542 | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide, Bcl-2-like protein 1, ... | Authors: | Fairlie, W.D, Smith, B.J, Colman, P.M, Czabotar, P.E, Lee, E.F. | Deposit date: | 2009-08-12 | Release date: | 2009-09-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands J. Biol. Chem., 284, 2009
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3IO8
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![BU of 3io8 by Molmil](/molmil-images/mine/3io8) | BimL12F in complex with Bcl-xL | Descriptor: | Bcl-2-like protein 1, Bcl-2-like protein 11, ZINC ION | Authors: | Colman, P.M, Lee, E.F, Fairlie, W.D, Smith, B.J, Czabotar, P.E, Yang, H, Sleebs, B.E, Lessene, G. | Deposit date: | 2009-08-14 | Release date: | 2009-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands. J.Biol.Chem., 284, 2009
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3IO9
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![BU of 3io9 by Molmil](/molmil-images/mine/3io9) | BimL12Y in complex with Mcl-1 | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Czabotar, P.E, Lee, E.F, Yang, H, Sleebs, B.E, Lessene, G, Colman, P.M, Smith, B.J, Fairlie, W.D. | Deposit date: | 2009-08-14 | Release date: | 2009-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands. J.Biol.Chem., 284, 2009
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6DCN
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![BU of 6dcn by Molmil](/molmil-images/mine/6dcn) | Bcl-xL complex with Beclin 1 BH3 domain T108pThr | Descriptor: | BCL-xl protein, Beclin-1 | Authors: | Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D. | Deposit date: | 2018-05-07 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.444 Å) | Cite: | Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1. Autophagy, 15, 2019
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1X38
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![BU of 1x38 by Molmil](/molmil-images/mine/1x38) | crystal structure of barley beta-D-glucan glucohydrolase isoenzyme exo1 in complex with gluco-phenylimidazole | Descriptor: | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[beta-D-xylopyranose-(1-2)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Hrmova, M, Streltsov, V.A, Smith, B.J, Vasella, A, Varghese, J.N, Fincher, G.B. | Deposit date: | 2005-05-02 | Release date: | 2005-12-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Structural rationale for low-nanomolar binding of transition state mimics to a family GH3 beta-D-glucan glucohydrolase from barley. Biochemistry, 44, 2005
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2AFJ
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![BU of 2afj by Molmil](/molmil-images/mine/2afj) | SPRY domain-containing SOCS box protein 2 (SSB-2) | Descriptor: | gene rich cluster, C9 gene | Authors: | Masters, S.L, Yao, S, Willson, T.A, Zhang, J.G, Palmer, K.R, Smith, B.J, Babon, J.J, Nicola, N.A, Norton, R.S, Nicholson, S.E. | Deposit date: | 2005-07-26 | Release date: | 2006-01-03 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The SPRY domain of SSB-2 adopts a novel fold that presents conserved Par-4-binding residues Nat.Struct.Mol.Biol., 13, 2006
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3QKD
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![BU of 3qkd by Molmil](/molmil-images/mine/3qkd) | Crystal structure of Bcl-xL in complex with a Quinazoline sulfonamide inhibitor | Descriptor: | (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide, Bcl-2-like protein 1, CHLORIDE ION, ... | Authors: | Czabotar, P.E, Smith, B.J. | Deposit date: | 2011-01-31 | Release date: | 2011-04-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Quinazoline sulfonamides as dual binders of the proteins B-cell lymphoma 2 and B-cell lymphoma extra long with potent proapoptotic cell-based activity. J.Med.Chem., 54, 2011
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3VUV
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![BU of 3vuv by Molmil](/molmil-images/mine/3vuv) | Crystal structure of the merozoite surface protein MSPDBL2 from P. falciparum bound to zinc | Descriptor: | Erythrocyte membrane protein, putative, ZINC ION | Authors: | Czabotar, P.E, Hodder, A.N, Clarke, O.B, Lin, C.S, Smith, B.J, Cowman, A.F. | Deposit date: | 2012-07-09 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.114 Å) | Cite: | Insights into Duffy binding-like domains through the crystal structure and function of the merozoite surface protein MSPDBL2 from Plasmodium falciparum J.Biol.Chem., 287, 2012
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3W11
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![BU of 3w11 by Molmil](/molmil-images/mine/3w11) | |
3W13
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![BU of 3w13 by Molmil](/molmil-images/mine/3w13) | Insulin receptor ectodomain construct comprising domains L1-CR in complex with high-affinity insulin analogue [D-PRO-B26]-DTI-NH2, alphact peptide(693-719) and FAB 83-7 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ... | Authors: | Lawrence, M.C, Smith, B.J, Brzozowski, A.M. | Deposit date: | 2012-11-06 | Release date: | 2013-01-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4.303 Å) | Cite: | How insulin engages its primary binding site on the insulin receptor Nature, 493, 2013
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3VUU
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![BU of 3vuu by Molmil](/molmil-images/mine/3vuu) | Crystal structure of the merozoite surface protein MSPDBL2 from P. falciparum | Descriptor: | CHLORIDE ION, Erythrocyte membrane protein, putative | Authors: | Czabotar, P.E, Hodder, A.N, Clarke, O.B, Lin, C.S, Smith, B.J, Cowman, A.F. | Deposit date: | 2012-07-09 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | Insights into Duffy binding-like domains through the crystal structure and function of the merozoite surface protein MSPDBL2 from Plasmodium falciparum J.Biol.Chem., 287, 2012
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3W12
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![BU of 3w12 by Molmil](/molmil-images/mine/3w12) | Insulin receptor ectodomain construct comprising domains L1-CR in complex with high-affinity insulin analogue [D-PRO-B26]-DTI-NH2, alpha-CT peptide(704-719) and FAB 83-7 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ... | Authors: | Lawrence, M.C, Smith, B.J, Brzozowsk, A.M. | Deposit date: | 2012-11-06 | Release date: | 2013-01-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4.301 Å) | Cite: | How insulin engages its primary binding site on the insulin receptor Nature, 493, 2013
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3ZK6
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![BU of 3zk6 by Molmil](/molmil-images/mine/3zk6) | 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
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3ZLO
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![BU of 3zlo by Molmil](/molmil-images/mine/3zlo) | 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
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3ZLR
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![BU of 3zlr by Molmil](/molmil-images/mine/3zlr) | 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
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