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4NN3
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Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio salexigens (Desal_2161), Target EFI-510109, with bound orotic acid
分子名称: CHLORIDE ION, OROTIC ACID, TRAP dicarboxylate transporter, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-11-16
公開日2013-12-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NQ8
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Crystal structure of a trap periplasmic solute binding protein from Bordetella bronchispeptica (bb3421), target EFI-510039, with density modeled as pantoate
分子名称: CHLORIDE ION, PANTOATE, Putative periplasmic substrate-binding transport protein, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-11-24
公開日2014-01-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
8D3B
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BU of 8d3b by Molmil
Hexameric HIV-1 (M-group) Q50Y/R120 mutant
分子名称: Capsid protein p24
著者Jacques, D.A, Govasli, M.L, Pinotsis, N, James, L.C.
登録日2022-06-01
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
6BQ1
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BU of 6bq1 by Molmil
Human PI4KIIIa lipid kinase complex
分子名称: 5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1H-benzimidazol-6-yl}-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide, Phosphatidylinositol 4-kinase III alpha (PI4KA), Protein FAM126A, ...
著者Lees, J.A, Zhang, Y, Oh, M, Schauder, C.M, Yu, X, Baskin, J, Dobbs, K, Notarangelo, L.D, Camilli, P.D, Walz, T, Reinisch, K.M.
登録日2017-11-27
公開日2017-12-13
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Architecture of the human PI4KIII alpha lipid kinase complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6R66
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Crystal structure of transthyretin in complex with CHF5075, a flurbiprofen analogue
分子名称: 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Transthyretin
著者Loconte, V, Menozzi, I, Ferrari, A, Berni, R, Zanotti, G.
登録日2019-03-26
公開日2019-09-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-activity relationships of flurbiprofen analogues as stabilizers of the amyloidogenic protein transthyretin.
J.Struct.Biol., 208, 2019
6R67
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Crystal structure of transthyretin in complex with CHF5075, a flurbiprofen analogue
分子名称: (2~{R})-2-[4-(3,5-dimethylphenyl)-3-fluoranyl-phenyl]propanoic acid, Transthyretin
著者Loconte, V, Menozzi, I, Ferrari, A, Berni, R, Zanotti, G.
登録日2019-03-26
公開日2019-09-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-activity relationships of flurbiprofen analogues as stabilizers of the amyloidogenic protein transthyretin.
J.Struct.Biol., 208, 2019
4CWF
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BU of 4cwf by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
分子名称: 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
登録日2014-04-02
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWN
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Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
分子名称: 5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWT
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Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
分子名称: 2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWQ
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BU of 4cwq by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
分子名称: 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4MV3
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BU of 4mv3 by Molmil
Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with AMPPCP and Bicarbonate
分子名称: 1,2-ETHANEDIOL, BICARBONATE ION, Biotin carboxylase, ...
著者Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L.
登録日2013-09-23
公開日2015-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase.
Biochemistry, 54, 2015
6FWV
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BU of 6fwv by Molmil
The Bacillus anthracis TIE protein
分子名称: Collagen Adhesion protein, ZINC ION
著者Miller, O.K, Banfield, M.J, Schwarz-Linek, U.
登録日2018-03-07
公開日2018-08-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献A new structural class of bacterial thioester domains reveals a slipknot topology.
Protein Sci., 27, 2018
5NPY
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BU of 5npy by Molmil
Crystal structure of Helicobacter pylori flagellar hook protein FlgE2
分子名称: Flagellar basal body protein, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM
著者Loconte, V, Zanotti, G, Kekez, I, Matkovic-Calogovic, D.
登録日2017-04-19
公開日2017-11-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献Structural characterization of FlgE2 protein from Helicobacter pylori hook.
FEBS J., 284, 2017
4N8G
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BU of 4n8g by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0660), Target EFI-501075, with bound D-alanine-D-alanine
分子名称: CHLORIDE ION, D-ALANINE, SULFATE ION, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-10-17
公開日2013-10-30
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
7Z10
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BU of 7z10 by Molmil
Monomeric respiratory complex IV isolated from S. cerevisiae
分子名称: COPPER (II) ION, CYTOCHROME C OXIDASE SUBUNIT 3; SYNONYM: CYTOCHROME C OXIDASE POLYPEPTIDE III, COX3, ...
著者Marechal, A, Hartley, A, Ing, G, Pinotsis, N.
登録日2022-02-24
公開日2022-08-03
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.87 Å)
主引用文献Cryo-EM structure of a monomeric yeast S. cerevisiae complex IV isolated with maltosides: Implications in supercomplex formation.
Biochim Biophys Acta Bioenerg, 1863, 2022
4NAP
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BU of 4nap by Molmil
Crystal structure of a trap periplasmic solute binding protein from Desulfovibrio alaskensis G20 (DDE_0634), target EFI-510102, with bound d-tryptophan
分子名称: D-TRYPTOPHAN, Extracellular solute-binding protein, family 7
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-10-22
公開日2013-11-13
最終更新日2015-02-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
5LFD
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BU of 5lfd by Molmil
Crystal structure of allantoin racemase from Pseudomonas fluorescens AllR
分子名称: Allantoin racemase
著者Cendron, l, Zanotti, G, Percudani, R, Ramazzina, I, Puggioni, V, Maccacaro, E, Liuzzi, A, Secchi, A.
登録日2016-07-01
公開日2017-05-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Structure and Function of a Microbial Allantoin Racemase Reveal the Origin and Conservation of a Catalytic Mechanism.
Biochemistry, 55, 2016
4X5T
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BU of 4x5t by Molmil
alpha 1 glycine receptor transmembrane structure fused to the extracellular domain of GLIC
分子名称: ACETATE ION, CHLORIDE ION, NICKEL (II) ION, ...
著者Sauguet, L, Corringer, P.J, Huon, C, Delarue, M.
登録日2014-12-05
公開日2015-02-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Allosteric and hyperekplexic mutant phenotypes investigated on an alpha 1 glycine receptor transmembrane structure.
Proc.Natl.Acad.Sci.USA, 112, 2015
6R68
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Crystal structure of transthyretin in complex with CHF4795, a flurbiprofen analogue
分子名称: (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid, Transthyretin
著者Loconte, V, Menozzi, I, Ferrari, A, Berni, R, Zanotti, G.
登録日2019-03-26
公開日2019-09-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-activity relationships of flurbiprofen analogues as stabilizers of the amyloidogenic protein transthyretin.
J.Struct.Biol., 208, 2019
6R6I
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BU of 6r6i by Molmil
Crystal structure of transthyretin mutant A25T in complex with CHF5074, a flurbiprofen analogue
分子名称: 1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid, PHOSPHATE ION, Transthyretin
著者Loconte, V, Menozzi, I, Ferrari, A, Berni, R, Zanotti, G.
登録日2019-03-27
公開日2019-09-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.467 Å)
主引用文献Structure-activity relationships of flurbiprofen analogues as stabilizers of the amyloidogenic protein transthyretin.
J.Struct.Biol., 208, 2019
4NX1
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Crystal structure of a trap periplasmic solute binding protein from Sulfitobacter sp. nas-14.1, target EFI-510292, with bound alpha-D-taluronate
分子名称: C4-dicarboxylate transport system substrate-binding protein, alpha-D-talopyranuronic acid
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-12-08
公開日2014-01-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4RZQ
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BU of 4rzq by Molmil
Structural Analysis of Substrate, Reaction Intermediate and Product Binding in Haemophilus influenzae Biotin Carboxylase
分子名称: ADENOSINE-5'-DIPHOSPHATE, Biotin carboxylase, methyl (3aS,4S,6aR)-4-(5-methoxy-5-oxopentyl)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-1-carboxylate
著者Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R, Waldrop, G.L.
登録日2014-12-23
公開日2015-06-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase.
Biochemistry, 54, 2015
5NON
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BU of 5non by Molmil
Structure of truncated Norcoclaurine Synthase from Thalictrum flavum with product mimic
分子名称: 4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol, S-norcoclaurine synthase
著者Sula, A, Lichman, B.R, Pesnot, T, Ward, J.M, Hailes, H.C, Keep, N.H.
登録日2017-04-12
公開日2017-09-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Evidence for the Dopamine-First Mechanism of Norcoclaurine Synthase.
Biochemistry, 56, 2017
7LRU
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BU of 7lru by Molmil
Crystal structure of SFPQ-NONO-SFPQ chimeric protein homodimer
分子名称: Splicing factor, proline- and glutamine-rich,Isoform 2 of Non-POU domain-containing octamer-binding protein,Isoform Short of Splicing factor, proline- and glutamine-rich
著者Marshall, A.C, Bond, C.S, Mohnen, I, Knott, G.J.
登録日2021-02-17
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of SFPQ-NONO-SFPQ chimeric protein homodimer
To Be Published
8ES6
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Crystal structure of an unusual amidase ClbL from colibactin gene cluster
分子名称: Colibactin biosynthesis amidase ClbL
著者Tripathi, P, Bruner, S.D.
登録日2022-10-13
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of the amidase ClbL central to the biosynthesis of the genotoxin colibactin.
Acta Crystallogr D Struct Biol, 79, 2023

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