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6X42
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BU of 6x42 by Molmil
High Resolution Crystal Structure Analysis of SERA5E from plasmodium falciparum
分子名称: 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, ...
著者Clarke, O.B, Smith, N.A, Lee, M, Smith, B.J.
登録日2020-05-21
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of the Plasmodium falciparum PfSERA5 pseudo-zymogen.
Protein Sci., 29, 2020
5KQV
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BU of 5kqv by Molmil
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)
分子名称: 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, ...
著者Lawrence, M.C, Smith, B.J, Croll, T.I.
登録日2016-07-06
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献How insulin engages its primary binding site on the insulin receptor.
Nature, 493, 2013
6GF3
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BU of 6gf3 by Molmil
Tubulin-Jerantinine B acetate complex
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者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.
登録日2018-04-29
公開日2019-05-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sustainable Syntheses of (-)-Jerantinines A & E and Structural Characterisation of the Jerantinine-Tubulin Complex at the Colchicine Binding Site.
Sci Rep, 8, 2018
4TUH
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BU of 4tuh by Molmil
Bcl-xL in complex with inhibitor (Compound 10)
分子名称: 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, ...
著者Czabotar, P.E, Lessense, G, Smith, B.J, Colman, P.M.
登録日2014-06-24
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Rescaffolding of Selective Antagonists of BCL-XL.
Acs Med.Chem.Lett., 5, 2014
6DCN
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BU of 6dcn by Molmil
Bcl-xL complex with Beclin 1 BH3 domain T108pThr
分子名称: BCL-xl protein, Beclin-1
著者Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D.
登録日2018-05-07
公開日2018-05-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.444 Å)
主引用文献Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1.
Autophagy, 15, 2019
6DCO
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BU of 6dco by Molmil
Bcl-xL complex with Beclin 1 BH3 domain T108D
分子名称: Bcl-2-like protein 1,Bcl-2-like protein 1, Beclin-1, CHLORIDE ION
著者Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D.
登録日2018-05-07
公開日2018-05-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1.
Autophagy, 15, 2019
1X39
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BU of 1x39 by Molmil
Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme exo1 in complex with gluco-phenylimidazole
分子名称: (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, ...
著者Hrmova, M, Streltsov, V.A, Smith, B.J, Vasella, A, Varghese, J.N, Fincher, G.B.
登録日2005-05-02
公開日2005-12-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural rationale for low-nanomolar binding of transition state mimics to a family GH3 beta-D-glucan glucohydrolase from barley.
Biochemistry, 44, 2005
1X38
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BU of 1x38 by Molmil
crystal structure of barley beta-D-glucan glucohydrolase isoenzyme exo1 in complex with gluco-phenylimidazole
分子名称: (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, ...
著者Hrmova, M, Streltsov, V.A, Smith, B.J, Vasella, A, Varghese, J.N, Fincher, G.B.
登録日2005-05-02
公開日2005-12-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Structural rationale for low-nanomolar binding of transition state mimics to a family GH3 beta-D-glucan glucohydrolase from barley.
Biochemistry, 44, 2005
4ZL4
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BU of 4zl4 by Molmil
Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-842)
分子名称: (2R)-1-[(2R)-2-(2-methoxyethoxy)propoxy]propan-2-amine, 1,2-ETHANEDIOL, Aspartic protease PM5, ...
著者Czabotar, P.E, Hodder, A.N, Smith, B.J, Sleebs, B.E, Gazdic, M, Boddey, J.A, Cowman, A.F.
登録日2015-05-01
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural basis for plasmepsin V inhibition that blocks export of malaria proteins to human erythrocytes.
Nat.Struct.Mol.Biol., 22, 2015
1F5Z
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BU of 1f5z by Molmil
CRYSTAL STRUCTURE ANALYSIS OF N-ACETYLNEURAMINATE LYASE FROM HAEMOPHILUS INFLUENZAE: CRYSTAL FORM I
分子名称: N-ACETYLNEURAMINATE LYASE
著者Barbosa, J.A.R.G, Smith, B.J, DeGori, R, Lawrence, M.C.
登録日2000-06-18
公開日2000-12-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献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
1F6P
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BU of 1f6p by Molmil
CRYSTAL STRUCTURE ANALYSIS OF N-ACETYLNEURAMINATE LYASE FROM HAEMOPHILUS INFLUENZAE: CRYSTAL FORM III
分子名称: N-ACETYL NEURAMINATE LYASE
著者Barbosa, J.A.R.G, Smith, B.J, DeGori, R, Lawrence, M.C.
登録日2000-06-22
公開日2000-11-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献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
3VUV
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BU of 3vuv by Molmil
Crystal structure of the merozoite surface protein MSPDBL2 from P. falciparum bound to zinc
分子名称: Erythrocyte membrane protein, putative, ZINC ION
著者Czabotar, P.E, Hodder, A.N, Clarke, O.B, Lin, C.S, Smith, B.J, Cowman, A.F.
登録日2012-07-09
公開日2012-08-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.114 Å)
主引用文献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
3W11
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BU of 3w11 by Molmil
Insulin receptor ectodomain construct comprising domains L1-CR in complex with human insulin, Alpha-CT peptide(704-719) and FAB 83-7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
著者Lawrence, M.C, Smith, B.J.
登録日2012-11-06
公開日2013-01-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献How insulin engages its primary binding site on the insulin receptor
Nature, 493, 2013
3W13
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BU of 3w13 by Molmil
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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
著者Lawrence, M.C, Smith, B.J, Brzozowski, A.M.
登録日2012-11-06
公開日2013-01-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (4.303 Å)
主引用文献How insulin engages its primary binding site on the insulin receptor
Nature, 493, 2013
3VUU
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BU of 3vuu by Molmil
Crystal structure of the merozoite surface protein MSPDBL2 from P. falciparum
分子名称: CHLORIDE ION, Erythrocyte membrane protein, putative
著者Czabotar, P.E, Hodder, A.N, Clarke, O.B, Lin, C.S, Smith, B.J, Cowman, A.F.
登録日2012-07-09
公開日2012-08-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献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
3W12
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BU of 3w12 by Molmil
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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
著者Lawrence, M.C, Smith, B.J, Brzozowsk, A.M.
登録日2012-11-06
公開日2013-01-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (4.301 Å)
主引用文献How insulin engages its primary binding site on the insulin receptor
Nature, 493, 2013
3ZLO
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BU of 3zlo by Molmil
Crystal structure of BCL-XL in complex with inhibitor (Compound 6)
分子名称: 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
著者Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
登録日2013-02-04
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3ZLR
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BU of 3zlr by Molmil
Crystal structure of BCL-XL in complex with inhibitor (WEHI-539)
分子名称: 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, ...
著者Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
登録日2013-02-04
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.026 Å)
主引用文献Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
4A1U
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BU of 4a1u by Molmil
Crystal structure of alpha-beta-foldamer 2c in complex with Bcl-xL
分子名称: ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1, CHLORIDE ION, ...
著者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.
登録日2011-09-20
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Evaluation of Diverse Alpha/Beta-Backbone Patterns for Functional Alpha-Helix Mimicry: Analogues of the Bim Bh3 Domain.
J.Am.Chem.Soc., 134, 2012
4A1W
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BU of 4a1w by Molmil
Crystal structure of alpha-beta foldamer 4c in complex with Bcl-xL
分子名称: ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1
著者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.
登録日2011-09-20
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Evaluation of Diverse Alpha/Beta-Backbone Patterns for Functional Alpha-Helix Mimicry: Analogues of the Bim Bh3 Domain.
J.Am.Chem.Soc., 134, 2012
3ZK6
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BU of 3zk6 by Molmil
Crystal structure of Bcl-xL in complex with inhibitor (Compound 2).
分子名称: BCL-2-LIKE PROTEIN 1, N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide
著者Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
登録日2013-01-22
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献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)
分子名称: 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, ...
著者Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
登録日2013-02-04
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
5FMJ
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BU of 5fmj by Molmil
Bcl-xL with mouse Bak BH3 Q75L complex
分子名称: 1,2-ETHANEDIOL, BAK1 PROTEIN, BCL-2-LIKE PROTEIN 1
著者Fairlie, W.D, Lee, E.F, Smith, B.J.
登録日2015-11-06
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
5FMK
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BU of 5fmk by Molmil
Bcl-xL with Bak BH3 complex
分子名称: BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, BCL-XL, GLYCEROL
著者Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M.
登録日2015-11-06
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.731 Å)
主引用文献Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
5FMI
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BU of 5fmi by Molmil
Human Bak Q77L
分子名称: BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, ZINC ION
著者Fairlie, W.D, Lee, E.F, Smith, B.J.
登録日2015-11-06
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016

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