6X42
 
 | | High Resolution Crystal Structure Analysis of SERA5E from plasmodium falciparum | | Descriptor: | 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, ... | | Authors: | Clarke, O.B, Smith, N.A, Lee, M, Smith, B.J. | | Deposit date: | 2020-05-21 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of the Plasmodium falciparum PfSERA5 pseudo-zymogen.
Protein Sci., 29, 2020
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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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6GF3
 | | Tubulin-Jerantinine B acetate complex | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Smedley, C.J, Stanley, P.A, Qazzaz, M.E, Prota, A.E, Olieric, N, Collins, H, Eastman, H, Barrow, A.S, Lim, K.-H, Kam, T.-S, Smith, B.J, Duivenvoorden, H.M, Parker, B.S, Bradshaw, T.D, Steinmetz, M.O, Moses, J.E. | | Deposit date: | 2018-04-29 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Sustainable Syntheses of (-)-Jerantinines A & E and Structural Characterisation of the Jerantinine-Tubulin Complex at the Colchicine Binding Site.
Sci Rep, 8, 2018
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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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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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6DCO
 | | Bcl-xL complex with Beclin 1 BH3 domain T108D | | Descriptor: | Bcl-2-like protein 1,Bcl-2-like protein 1, Beclin-1, CHLORIDE ION | | Authors: | Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D. | | Deposit date: | 2018-05-07 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.198 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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1X39
 | | Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme exo1 in complex with gluco-phenylimidazole | | Descriptor: | (5R,6R,7S,8S)-3-(ANILINOMETHYL)-5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-IMIDAZO[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 (1.8 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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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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4ZL4
 | | Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-842) | | Descriptor: | (2R)-1-[(2R)-2-(2-methoxyethoxy)propoxy]propan-2-amine, 1,2-ETHANEDIOL, Aspartic protease PM5, ... | | Authors: | Czabotar, P.E, Hodder, A.N, Smith, B.J, Sleebs, B.E, Gazdic, M, Boddey, J.A, Cowman, A.F. | | Deposit date: | 2015-05-01 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structural basis for plasmepsin V inhibition that blocks export of malaria proteins to human erythrocytes.
Nat.Struct.Mol.Biol., 22, 2015
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1F5Z
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1F6P
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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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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
 | | 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
 | | 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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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
 | | 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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4A1U
 | | 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
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4A1W
 | | 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
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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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3ZLN
 | | 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
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5FMJ
 | | Bcl-xL with mouse Bak BH3 Q75L complex | | Descriptor: | 1,2-ETHANEDIOL, BAK1 PROTEIN, BCL-2-LIKE PROTEIN 1 | | Authors: | Fairlie, W.D, Lee, E.F, Smith, B.J. | | Deposit date: | 2015-11-06 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
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5FMK
 | | Bcl-xL with Bak BH3 complex | | Descriptor: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, BCL-XL, GLYCEROL | | Authors: | Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M. | | Deposit date: | 2015-11-06 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.731 Å) | | Cite: | Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
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5FMI
 | | Human Bak Q77L | | Descriptor: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, ZINC ION | | Authors: | Fairlie, W.D, Lee, E.F, Smith, B.J. | | Deposit date: | 2015-11-06 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.491 Å) | | Cite: | Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
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