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8BWC
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E. coli BAM complex (BamABCDE) wild-type
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Machin, J.M, Radford, S.E, Ranson, N.A.
登録日2022-12-06
公開日2023-05-24
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Darobactin B Stabilises a Lateral-Closed Conformation of the BAM Complex in E. coli Cells.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BVQ
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E. coli BAM complex (BamABCDE) bound to darobactin B
分子名称: Darobactin-B, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
著者Horne, J.E, Fenn, K.L, Radford, S.E, Ranson, N.A.
登録日2022-12-05
公開日2023-05-24
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Darobactin B Stabilises a Lateral-Closed Conformation of the BAM Complex in E. coli Cells.
Angew.Chem.Int.Ed.Engl., 62, 2023
8T2N
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BU of 8t2n by Molmil
Crystal structure of GABARAP in complex with the LIR of NSs3
分子名称: Gamma-aminobutyric acid receptor-associated protein, Non-structural protein S
著者Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
登録日2023-06-06
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献An LIR motif in the Rift Valley fever virus NSs protein is critical for the interaction with LC3 family members and inhibition of autophagy.
Plos Pathog., 20, 2024
8T2M
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Crystal structure of GABARAP in complex with the LIR of NSs4
分子名称: Non-structural protein S,Gamma-aminobutyric acid receptor-associated protein chimera
著者Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
登録日2023-06-06
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献An LIR motif in the Rift Valley fever virus NSs protein is critical for the interaction with LC3 family members and inhibition of autophagy.
Plos Pathog., 20, 2024
8T2L
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BU of 8t2l by Molmil
Crystal structure of LC3A in complex with the LIR of NSs4
分子名称: Non-structural protein S,Microtubule-associated proteins 1A/1B light chain 3A chimera
著者Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
登録日2023-06-06
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献An LIR motif in the Rift Valley fever virus NSs protein is critical for the interaction with LC3 family members and inhibition of autophagy.
Plos Pathog., 20, 2024
2LOX
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BU of 2lox by Molmil
NMR structure of the complex between the PH domain of the Tfb1 subunit from TFIIH and Rad2
分子名称: DNA repair protein RAD2, RNA polymerase II transcription factor B subunit 1
著者Lafrance-Vanasse, J, Legault, P, Omichinski, J.
登録日2012-01-27
公開日2012-02-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and functional characterization of interactions involving the Tfb1 subunit of TFIIH and the NER factor Rad2.
Nucleic Acids Res., 40, 2012
2MKR
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BU of 2mkr by Molmil
Structural Characterization of a Complex Between the Acidic Transactivation Domain of EBNA2 and the Tfb1/p62 subunit of TFIIH.
分子名称: Epstein-Barr nuclear antigen 2, RNA polymerase II transcription factor B subunit 1
著者Chabot, P.R, Raiola, L, Lussier-Price, M, Morse, T, Arseneault, G, Archambault, J, Omichinski, J.
登録日2014-02-12
公開日2014-03-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Functional Characterization of a Complex between the Acidic Transactivation Domain of EBNA2 and the Tfb1/p62 Subunit of TFIIH.
Plos Pathog., 10, 2014
8F2G
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BU of 8f2g by Molmil
Crystal structure of Hen Egg White Lysozyme at 0.44 GPa
分子名称: Lysozyme C
著者Marshall, A.C, Boer, S.A, Turner, G, Moggach, S.A, Bond, C.S, Vrielink, A.
登録日2022-11-08
公開日2022-12-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献High-pressure single-crystal diffraction at the Australian Synchrotron.
J.Synchrotron Radiat., 30, 2023
5L57
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Crystal structure of Iso-citrate Dehydrogenase R132H in complex with a novel inhibitor (compound 13a)
分子名称: (1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Levy, C.
登録日2016-05-28
公開日2016-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
5L58
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Crystal structure of Iso-citrate Dehydrogenase 1 [IDH1 (R132H)] in complex with a novel inhibitor (Compound 2)
分子名称: 2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Levy, C.
登録日2016-05-28
公開日2016-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
3ZKS
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BACE2 XAPERONE COMPLEX WITH INHIBITOR
分子名称: 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2, XA4813
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-24
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKN
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BACE2 FAB INHIBITOR COMPLEX
分子名称: 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2, DIMETHYL SULFOXIDE, ...
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-23
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
4BEL
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BU of 4bel by Molmil
BACE2 XAPERONE COMPLEX
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2, CHLORIDE ION, ...
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-03-11
公開日2013-05-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
4BFB
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BU of 4bfb by Molmil
BACE2 XAPERONE COMPLEX
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2, XA4813
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-03-18
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKG
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BACE2 MUTANT APO STRUCTURE
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-23
公開日2013-05-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZL7
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BACE2 FYNOMER COMPLEX
分子名称: BETA-SECRETASE 2, FYNOMER 2B-H11
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-28
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZOV
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CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
分子名称: 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 1, DIMETHYL SULFOXIDE, ...
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-02-25
公開日2013-05-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKQ
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BACE2 XAPERONE COMPLEX
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2, CHLORIDE ION, ...
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-24
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKI
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BACE2 MUTANT STRUCTURE WITH LIGAND
分子名称: 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-23
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKM
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BACE2 FAB COMPLEX
分子名称: BETA-SECRETASE 2, DIMETHYL SULFOXIDE, FAB HEAVY CHAIN, ...
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-23
公開日2013-05-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
4PFC
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Crystal structure of insulin degrading enzyme complexed with inhibitor
分子名称: Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
著者Wang, Y, Guo, S.
登録日2014-04-28
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
4PF9
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BU of 4pf9 by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor
分子名称: Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate
著者Wang, Y, Guo, S.
登録日2014-04-28
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
4PES
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BU of 4pes by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor tert-butyl [(2S)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
分子名称: Ala-Ala-Ala, Insulin-degrading enzyme, ZINC ION, ...
著者Wang, Y, Guo, S.
登録日2014-04-24
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of IDE complexed with an inhibitor
To Be Published
4PF7
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Crystal structure of insulin degrading enzyme complexed with inhibitor
分子名称: (2S)-2-amino-N-{(1S)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide, Insulin-degrading enzyme, ZINC ION
著者Wang, Y, Guo, S.
登録日2014-04-28
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
2YZ3
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BU of 2yz3 by Molmil
Crystallographic Investigation of Inhibition Mode of the VIM-2 Metallo-beta-lactamase from Pseudomonas aeruginosa with Mercaptocarboxylate Inhibitor
分子名称: (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID, Metallo-beta-lactamase, SULFATE ION, ...
著者Yamaguchi, Y, Yamagata, Y, Arakawa, Y, Kurosaki, H.
登録日2007-05-02
公開日2008-03-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic investigation of the inhibition mode of a VIM-2 metallo-beta-lactamase from Pseudomonas aeruginosa by a mercaptocarboxylate inhibitor.
J.Med.Chem., 50, 2007

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