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6TJN
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Human transthyretin (TTR) complexed with (E)-3-(((4-hydroxybenzylidene)amino)oxy)propanoic acid
分子名称: 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid, Transthyretin
著者Ciccone, L, Shepard, W, Nencetti, S, Orlandini, E, Rossello, A.
登録日2019-11-26
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis.
Bioorg.Med.Chem., 28, 2020
6NPF
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Structure of E.coli enolase in complex with an analog of the natural product SF-2312 metabolite.
分子名称: Enolase, GLYCEROL, L(+)-TARTARIC ACID, ...
著者Erlandsen, H, Krucinska, J, Lombardo, M, Wright, D.
登録日2019-01-17
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019
4UU0
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BU of 4uu0 by Molmil
CRYSTAL STRUCTURE OF (SR) CALCIUM-ATPASE E2(TG) IN THE PRESENCE OF 14:1 PC
分子名称: GLYCEROL, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ...
著者Drachmann, N.D, Olesen, C, Moeller, J.V, Guo, Z, Nissen, P, Bublitz, M.
登録日2014-07-24
公開日2014-10-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Comparing Crystal Structures of Ca(2+) -ATPase in the Presence of Different Lipids.
FEBS J., 281, 2014
1KTL
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BU of 1ktl by Molmil
The human non-classical major histocompatibility complex molecule HLA-E
分子名称: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ALPHA CHAIN, ...
著者Holmes, M.A, Strong, R.K.
登録日2002-01-16
公開日2003-02-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献HLA-E allelic variants: Correlating differential expression, peptide affinities, crystal structures and thermal stabilities
J.Biol.Chem., 278, 2003
6XE3
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Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site.
分子名称: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2020-06-11
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site.
To be Published
1KPR
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BU of 1kpr by Molmil
The human non-classical major histocompatibility complex molecule HLA-E
分子名称: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ALPHA CHAIN, ...
著者Holmes, M.A, Strong, R.K.
登録日2002-01-02
公開日2003-02-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献HLA-E allelic variants: Correlating differential expression, peptide affinities, crystal structures and thermal stabilities
J.Biol.Chem., 278, 2003
1JR0
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BU of 1jr0 by Molmil
CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011
分子名称: (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, cholera toxin B subunit
著者Merritt, E.A, Hol, W.G.J.
登録日2001-08-09
公開日2002-05-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes.
Chem.Biol., 9, 2002
4L1S
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BU of 4l1s by Molmil
Covalent modification of transthyretin K15 by yielding the fluorescent conjugate (E)-3-(dimethylamino)-5-(4-hydroxy-3,5-dimethylstyryl)benzamide
分子名称: S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate, Transthyretin
著者Connelly, S, Wilson, I.A.
登録日2013-06-03
公開日2013-10-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Fluorogenic small molecules requiring reaction with a specific protein to create a fluorescent conjugate for biological imaging-what we know and what we need to learn.
Biopolymers, 101, 2014
1WRA
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BU of 1wra by Molmil
Crystal Structure of Phosphorylcholine Esterase Domain of the Virulence Factor Choline Binding Protein E from Streptococcus Pneumoniae
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, FE (III) ION, ...
著者Garau, G, Dideberg, O.
登録日2004-10-13
公開日2005-05-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of phosphorylcholine esterase domain of the virulence factor choline-binding protein e from streptococcus pneumoniae: new structural features among the metallo-beta-lactamase superfamily
J.Biol.Chem., 280, 2005
2KHO
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NMR-RDC / XRAY structure of E. coli HSP70 (DNAK) chaperone (1-605) complexed with ADP and substrate
分子名称: Heat shock protein 70
著者Zuiderweg, E.R.P, Bertelsen, E.B.
登録日2009-04-10
公開日2009-05-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution conformation of wild-type E. coli Hsp70 (DnaK) chaperone complexed with ADP and substrate.
Proc.Natl.Acad.Sci.USA, 106, 2009
4RFA
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BU of 4rfa by Molmil
Crystal structure of cyclic nucleotide-binding domain containing protein from Listeria monocytogenes EGD-e
分子名称: Lmo0740 protein
著者Filippova, E.V, Minasov, G, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-09-25
公開日2014-10-15
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of cyclic nucleotide-binding domain containing protein from Listeria monocytogenes EGD-e
To be Published
5QHM
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BU of 5qhm by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with OX-145
分子名称: 1,2-ETHANEDIOL, 1-methyl-3-oxidanyl-pyridine-2-thione, Protein FAM83B
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
登録日2018-05-18
公開日2018-12-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHN
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PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000622a
分子名称: 1,2-ETHANEDIOL, Protein FAM83B, methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
登録日2018-05-18
公開日2018-12-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHQ
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PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000574a
分子名称: 1,2-ETHANEDIOL, 1-[(4-fluorophenyl)methyl]benzimidazole, Protein FAM83B
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
登録日2018-05-18
公開日2018-12-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHS
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PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FF000014a
分子名称: 1,2-ETHANEDIOL, 1-methyl-3-oxidanyl-pyridin-2-one, Protein FAM83B
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
登録日2018-05-18
公開日2018-12-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHP
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BU of 5qhp by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000554a
分子名称: 1,2-ETHANEDIOL, 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol, Protein FAM83B
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
登録日2018-05-18
公開日2018-12-19
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHO
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BU of 5qho by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000010a
分子名称: 1,2-ETHANEDIOL, Protein FAM83B, di(piperidin-1-yl)methanone
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
登録日2018-05-18
公開日2018-12-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHR
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PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000635a
分子名称: 1,2-ETHANEDIOL, N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine, Protein FAM83B
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
登録日2018-05-18
公開日2018-12-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
4ERP
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BU of 4erp by Molmil
Crystal structure of a gemcitabine-diphosphate inhibited E. coli class Ia ribonucleotide reductase complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MU-OXO-DIIRON, Ribonucleoside-diphosphate reductase 1 subunit alpha, ...
著者Zimanyi, C.M, Drennan, C.L.
登録日2012-04-20
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.45 Å)
主引用文献Tangled up in knots: structures of inactivated forms of E. coli class Ia ribonucleotide reductase.
Structure, 20, 2012
1YVT
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BU of 1yvt by Molmil
The high salt (phosphate) crystal structure of CO Hemoglobin E (Glu26Lys) at physiological pH (pH 7.35)
分子名称: CARBON MONOXIDE, GLYCEROL, Hemoglobin alpha chain, ...
著者Malashkevich, V.N, Balazs, T.C, Almo, S.C, Hirsch, R.E.
登録日2005-02-16
公開日2006-02-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The high salt (phosphate) crystal structure of CO Hemoglobin E (Glu26Lys) at physiological pH (pH 7.35)
To be Published
1O6T
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Internalin (INLA, Listeria monocytogenes) - functional domain, uncomplexed
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Schubert, W.-D, Urbanke, C, Ziehm, T, Beier, V, Machner, M.P, Domann, E, Wehland, J, Chakraborty, T, Heinz, D.W.
登録日2002-10-15
公開日2002-12-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Internalin, a Major Invasion Protein of Listeria Monocytogenes, in Complex with its Human Receptor E-Cadherin
Cell(Cambridge,Mass.), 111, 2002
5K0I
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mpges1 bound to an inhibitor
分子名称: 1,5-anhydro-2,3,4-trideoxy-3-{[(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-D-erythro-hexitol, GLUTATHIONE, Prostaglandin E synthase, ...
著者Luz, J.G, Kuklish, S.L.
登録日2016-05-17
公開日2016-09-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Characterization of 3,3-dimethyl substituted N-aryl piperidines as potent microsomal prostaglandin E synthase-1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
2YKT
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Crystal structure of the I-BAR domain of IRSp53 (BAIAP2) in complex with an EHEC derived Tir peptide
分子名称: BRAIN-SPECIFIC ANGIOGENESIS INHIBITOR 1-ASSOCIATED PROTEIN 2, SULFATE ION, TRANSLOCATED INTIMIN RECEPTOR PROTEIN
著者de Groot, J.C, Schlueter, K, Carius, Y, Quedenau, C, Vingadassalom, D, Faix, J, Weiss, S.M, Reichelt, J, Standfuss-Gabisch, C, Lesser, C.F, Leong, J.M, Heinz, D.W, Buessow, K, Stradal, T.E.B.
登録日2011-05-30
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural Basis for Complex Formation between Human Irsp53 and the Translocated Intimin Receptor Tir of Enterohemorrhagic E. Coli.
Structure, 19, 2011
8GNA
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BU of 8gna by Molmil
Structure of the SbCas7-11-crRNA-NTR complex
分子名称: RAMP superfamily protein, RNA (32-MER), RNA (5'-R(P*GP*GP*GP*GP*CP*AP*GP*AP*AP*AP*AP*UP*UP*GP*GP*GP*U)-3'), ...
著者Yu, G, Wang, X, Deng, Z, Zhang, H.
登録日2022-08-23
公開日2023-01-18
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Target RNA-guided protease activity in type III-E CRISPR-Cas system.
Nucleic Acids Res., 50, 2022
8GU6
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Structure of the SbCas7-11-crRNA-NTR-Csx29 complex
分子名称: CHAT domain protein, RAMP superfamily protein, RNA (33-MER), ...
著者Yu, G, Wang, X, Deng, Z, Zhang, H.
登録日2022-09-10
公開日2023-01-18
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Target RNA-guided protease activity in type III-E CRISPR-Cas system.
Nucleic Acids Res., 50, 2022

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