4UDT
 
 | | T cell receptor (TRAV22,TRBV7-9) structure | | 分子名称: | GLYCEROL, PROTEIN TRBV7-9, T-CELL RECEPTOR BETA-2 CHAIN C REGION, ... | | 著者 | Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K. | | 登録日 | 2014-12-11 | | 公開日 | 2015-06-24 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure of Staphylococcal Enterotoxin E in Complex with Tcr Defines the Role of Tcr Loop Positioning in Superantigen Recognition.
Plos One, 10, 2015
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5QIE
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z2856434894 | | 分子名称: | FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1, ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline | | 著者 | MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | | 登録日 | 2018-05-22 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5QIF
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z31792168 | | 分子名称: | 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | | 著者 | MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | | 登録日 | 2018-05-22 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5QIC
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z30620520 | | 分子名称: | FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1, cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone | | 著者 | MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | | 登録日 | 2018-05-22 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5QIH
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z2697514548 | | 分子名称: | 1-methylindazole-3-carboxamide, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | | 著者 | MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | | 登録日 | 2018-05-22 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5QID
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z1787627869 | | 分子名称: | 5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | | 著者 | MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | | 登録日 | 2018-05-22 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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6P9U
 | | Crystal structure of human thrombin mutant W215A | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, ZINC ION | | 著者 | Pelc, L.A, Koester, S.K, Chen, Z, Di Cera, E. | | 登録日 | 2019-06-10 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin.
Sci Rep, 9, 2019
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8BEO
 | | Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP | | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, ... | | 著者 | Shaanan, B, Binshtein, E. | | 登録日 | 2022-10-21 | | 公開日 | 2023-11-08 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP
Not Published
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6GF3
 | | 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
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6PX5
 | | CRYSTAL STRUCTURE OF HUMAN MEIZOTHROMBIN DESF1 MUTANT S195A bound with PPACK | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Prothrombin, ... | | 著者 | Pelc, L.A, Koester, S.K, Chen, Z, Gistover, N, Di Cera, E. | | 登録日 | 2019-07-24 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin.
Sci Rep, 9, 2019
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8G02
 | | YES Complex - E. coli MraY, Protein E PhiX174, E. coli SlyD | | 分子名称: | Lysis protein E, Peptidyl-prolyl cis-trans isomerase, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | 著者 | Orta, A.K, Clemons, W.M, Li, Y.E. | | 登録日 | 2023-01-31 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | The mechanism of the phage-encoded protein antibiotic from Phi X174.
Science, 381, 2023
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8CAG
 | | Hypoxanthine-guanine phosphoribosyltransferase from E. coli | | 分子名称: | Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION | | 著者 | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Kostromina, M.A, Zayats, E.A, Kuranova, I.P, Esipov, R.S. | | 登録日 | 2023-01-24 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Hypoxanthine-guanine phosphoribosyltransferase from E. coli
To Be Published
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6G9P
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6OUL
 | | Cryo-EM structure of Escherichia coli RNAP polymerase bound to rpsTP2 promoter DNA | | 分子名称: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | 著者 | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | | 登録日 | 2019-05-04 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation.
Elife, 8, 2019
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3DNF
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6G9S
 | | Structural basis for the inhibition of E. coli PBP2 | | 分子名称: | (3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid, Peptidoglycan D,D-transpeptidase MrdA | | 著者 | Ruff, M, Levy, N. | | 登録日 | 2018-04-11 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62, 2019
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6G9F
 | | Structural basis for the inhibition of E. coli PBP2 | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Peptidoglycan D,D-transpeptidase MrdA | | 著者 | Ruff, M, Levy, N. | | 登録日 | 2018-04-10 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62, 2019
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8C8F
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6ZZ2
 | | Cocktail experiment E: fragments 52, 58, and 63 at 90 mM concentration in complex with Endothiapepsin | | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | | 著者 | Hassaan, E, Klebe, G, Heine, A, Schiebel, J, Koester, H. | | 登録日 | 2020-08-03 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.14885437 Å) | | 主引用文献 | Cocktail experiment E: fragments 52, 58, and 63 at 90 mM concentration in complex with Endothiapepsin
To Be Published
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7Q9N
 | | Transthyretin complexed with (E)-4-(2-(naphthalen-2-yl)vinyl)benzene-1,2-diol | | 分子名称: | 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol, Transthyretin | | 著者 | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | | 登録日 | 2021-11-12 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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7Q9L
 | | Transthyretin complexed with (E)-4-(2-(naphthalen-1-yl)vinyl)benzene-1,2-diol | | 分子名称: | 4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol, GLYCEROL, SODIUM ION, ... | | 著者 | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | | 登録日 | 2021-11-12 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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7QFM
 | | Pim1 in complex with (E)-4-((2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | | 分子名称: | 4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ... | | 著者 | Hochban, P.M.M, Heine, A, Diederich, W.E. | | 登録日 | 2021-12-06 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
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4Y4N
 | | Thiazole synthase Thi4 from Methanococcus igneus | | 分子名称: | 2-[(E)-[(4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid, FE (II) ION, Putative ribose 1,5-bisphosphate isomerase | | 著者 | Zhang, X, Ealick, S.E. | | 登録日 | 2015-02-10 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Basis for Iron-Mediated Sulfur Transfer in Archael and Yeast Thiazole Synthases.
Biochemistry, 55, 2016
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6NPF
 | | 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
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6OH6
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