7JR6
 
 | | H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors | | 分子名称: | 1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ... | | 著者 | Nolte, R.T, Somers, D.O, Gampe, R.T. | | 登録日 | 2020-08-11 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47, 2021
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7JR8
 | | H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLUTATHIONE, ... | | 著者 | Nolte, R.T, Somers, D.O, Gampe, R.T. | | 登録日 | 2020-08-11 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47, 2021
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4W4S
 | | Crystal structure of ent-kaurene synthase BJKS from bradyrhizobium japonicum in complex with BPH-629 | | 分子名称: | Uncharacterized protein blr2150, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | | 著者 | Liu, W, Zheng, Y, Huang, C.H, Guo, R.T. | | 登録日 | 2014-08-15 | | 公開日 | 2015-01-14 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
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8P1I
 | | Single particle cryo-EM co-structure of Klebsiella pneumoniae AcrB with the BDM91288 efflux pump inhibitor at 2.97 Angstrom resolution | | 分子名称: | 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), 3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline, Efflux pump membrane transporter, ... | | 著者 | Boernsen, C, Mueller, R.T, Pos, K.M, Frangakis, A.S. | | 登録日 | 2023-05-12 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Pyridylpiperazine efflux pump inhibitor boosts in vivo antibiotic efficacy against K. pneumoniae.
Embo Mol Med, 16, 2024
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5KPY
 | | Structure of a 5-hydroxytryptophan aptamer | | 分子名称: | 5-hydroxy-L-tryptophan, 5-hydroxytryptophan RNA aptamer, IRIDIUM HEXAMMINE ION, ... | | 著者 | Batey, R.T, Porter, E, Merck, M. | | 登録日 | 2016-07-05 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Recurrent RNA motifs as scaffolds for genetically encodable small-molecule biosensors.
Nat. Chem. Biol., 13, 2017
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7N41
 | | Crystal structure of TagA with UDP-ManNAc | | 分子名称: | (2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase | | 著者 | Martinez, O.E, Cascio, D, Clubb, R.T. | | 登録日 | 2021-06-03 | | 公開日 | 2021-12-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA.
J.Biol.Chem., 298, 2021
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830C
 | | COLLAGENASE-3 (MMP-13) COMPLEXED TO A SULPHONE-BASED HYDROXAMIC ACID | | 分子名称: | 4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, MMP-13, ... | | 著者 | Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F. | | 登録日 | 1998-08-06 | | 公開日 | 1999-08-06 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
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7B1O
 | | Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22 | | 分子名称: | 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide, Indoleamine 2,3-dioxygenase 1 | | 著者 | Lammens, A, Krapp, S, Lewis, R.T, Hamilton, M.M. | | 登録日 | 2020-11-25 | | 公開日 | 2021-09-29 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
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6YSE
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7QPB
 | | Catalytic C-lobe of the HECT-type ubiquitin ligase E6AP in complex with a hybrid foldamer-peptide macrocycle | | 分子名称: | Isoform I of Ubiquitin-protein ligase E3A, hybrid foldamer-peptide macrocycle | | 著者 | Dengler, S, Howard, R.T, Morozov, V, Tsiamantas, C, Douat, C, Suga, H, Huc, I. | | 登録日 | 2022-01-03 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.342 Å) | | 主引用文献 | Display Selection of a Hybrid Foldamer-Peptide Macrocycle.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7CY0
 | | Crystal structure of S185H mutant PET hydrolase from Ideonella sakaiensis | | 分子名称: | ACETIC ACID, Poly(ethylene terephthalate) hydrolase | | 著者 | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | 登録日 | 2020-09-03 | | 公開日 | 2021-05-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis.
Nat Catal, 4, 2021
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5UJQ
 | | NMR Solution Structure of the Two-component Bacteriocin CbnXY | | 分子名称: | Bacteriocin | | 著者 | Acedo, J.Z, Towle, K.M, Lohans, C.T, McKay, R.T, Miskolzie, M, Doerksen, T, Vederas, J.C, Martin-Visscher, L.A. | | 登録日 | 2017-01-18 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Identification and three-dimensional structure of carnobacteriocin XY, a class IIb bacteriocin produced by Carnobacteria.
FEBS Lett., 591, 2017
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5UJR
 | | NMR Solution Structure of the Two-component Bacteriocin CbnXY | | 分子名称: | Bacteriocin | | 著者 | Acedo, J.Z, Towle, K.M, Lohans, C.T, McKay, R.T, Miskolzie, M, Doerksen, T, Vederas, J.C, Martin-Visscher, L.A. | | 登録日 | 2017-01-18 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Identification and three-dimensional structure of carnobacteriocin XY, a class IIb bacteriocin produced by Carnobacteria.
FEBS Lett., 591, 2017
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5GLX
 | | Crystal structure of a glycoside hydrolase from Thielavia terrestris NRRL 8126 | | 分子名称: | Glycoside hydrolase family 45 protein | | 著者 | Gao, J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | 登録日 | 2016-07-12 | | 公開日 | 2017-04-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Characterization and crystal structure of a thermostable glycoside hydrolase family 45 1,4-beta-endoglucanase from Thielavia terrestris
Enzyme Microb. Technol., 99, 2017
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5GM5
 | | Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellobiose | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endoglucanase-1, SULFATE ION, ... | | 著者 | Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | 登録日 | 2016-07-12 | | 公開日 | 2017-05-17 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50
Biochem. Biophys. Res. Commun., 478, 2016
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6WRF
 | | ClpX-ClpP complex bound to GFP-ssrA, recognition complex | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ATP-dependent Clp protease proteolytic subunit, ... | | 著者 | Fei, X, Sauer, R.T. | | 登録日 | 2020-04-29 | | 公開日 | 2020-11-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | | 主引用文献 | Structural basis of ClpXP recognition and unfolding of ssrA-tagged substrates.
Elife, 9, 2020
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6WSG
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3CJF
 | | Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine | | 分子名称: | N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine, SULFATE ION, Vascular endothelial growth factor receptor 2 | | 著者 | Nolte, R.T. | | 登録日 | 2008-03-12 | | 公開日 | 2008-10-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
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4U5I
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4U5K
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6DN2
 | | CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1354 SPLIT RNA | | 分子名称: | 4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid, MAGNESIUM ION, POTASSIUM ION, ... | | 著者 | Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T. | | 登録日 | 2018-06-05 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch.
ACS Chem. Biol., 13, 2018
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3D0X
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6DN3
 | | CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1555 SPLIT RNA | | 分子名称: | 7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T. | | 登録日 | 2018-06-05 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch.
ACS Chem. Biol., 13, 2018
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7CWQ
 | | Crystal structure of a novel cutinase from Burkhoderiales bacterium RIFCSPLOWO2_02_FULL_57_36 | | 分子名称: | DLH domain-containing protein, SULFATE ION | | 著者 | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | 登録日 | 2020-08-30 | | 公開日 | 2021-05-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis.
Nat Catal, 4, 2021
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7CQB
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