5FOM
 
 | | Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with the adduct AMP-AN6426 | | 分子名称: | 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION | | 著者 | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | | 登録日 | 2015-11-24 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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6F7R
 | | AKR1B1 at 0.03 MGy radiation dose. | | 分子名称: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Castellvi, A, Juanhuix, J. | | 登録日 | 2017-12-11 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (0.92 Å) | | 主引用文献 | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
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6F50
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5FQ6
 | | Crystal structure of the SusCD complex BT2261-2264 from Bacteroides thetaiotaomicron | | 分子名称: | 3-decanoyloxypropyl decanoate, BT_2261, CALCIUM ION, ... | | 著者 | Glenwright, A.J, Pothula, K.R, Chorev, D.S, Basle, A, Robinson, C.V, Kleinekathoefer, U, Bolam, D.N, van den Berg, B. | | 登録日 | 2015-12-07 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis for nutrient acquisition by dominant members of the human gut microbiota.
Nature, 541, 2017
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5FWJ
 | | Crystal structure of human JARID1C in complex with KDM5-C49 | | 分子名称: | 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, HISTONE DEMETHYLASE JARID1C, MAGNESIUM ION, ... | | 著者 | Srikannathasan, V, Szykowska, A, Strain-Damerell, C, Kopec, J, Nowak, R, Gileadi, C, Johansson, C, Kupinska, K, Burgess-Brown, N.A, Shrestha, L, Dong, W, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Huber, K, Oppermann, U. | | 登録日 | 2016-02-17 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
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5NYL
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5AMN
 | | The Discovery of 2-Substituted Phenol Quinazolines as Potent and Selective RET Kinase Inhibitors | | 分子名称: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | | 著者 | Newton, R, Bowler, K, Burns, E.M, Chapman, P, Fairweather, E, Fritzl, S, Goldberg, K, Hamilton, N.M, Holt, S.V, Hopkins, G.V, Jones, S.D, Jordan, A.M, Lyons, A, McDonald, N.Q, Maguire, L.A, Mould, D.P, Purkiss, A.G, Small, H.F, Stowell, A, Thomson, G.J, Waddell, I.D, Waszkowycz, B, Watson, A.J, Ogilvie, D.J. | | 登録日 | 2015-03-11 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | The discovery of 2-substituted phenol quinazolines as potent RET kinase inhibitors with improved KDR selectivity.
Eur J Med Chem, 112, 2016
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5FI9
 | | Closed form of murine Acid Sphingomyelinase in complex with bisphosphonate inhibitor AbPA | | 分子名称: | (1-azanyl-1-phosphono-decyl)phosphonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B. | | 登録日 | 2015-12-22 | | 公開日 | 2016-07-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.543 Å) | | 主引用文献 | Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016
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6RO8
 | | The crystal structure of Acinetobacter radioresistens CYP116B5 heme domain | | 分子名称: | Cytochrome P450 RhF, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Ciaramella, A, Catucci, G, Gilardi, G, Di Nardo, G. | | 登録日 | 2019-05-10 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of bacterial CYP116B5 heme domain: New insights on class VII P450s structural flexibility and peroxygenase activity.
Int.J.Biol.Macromol., 140, 2019
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6FAA
 | | CRYSTAL STRUCTURE OF THE DEAH-BOX HELICASE PRP2 IN COMPLEX WITH ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ETHANOL, GLYCEROL, ... | | 著者 | Schmitt, A, Hamann, F, Neumann, P, Ficner, R. | | 登録日 | 2017-12-15 | | 公開日 | 2018-07-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Crystal structure of the spliceosomal DEAH-box ATPase Prp2.
Acta Crystallogr D Struct Biol, 74, 2018
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7P00
 | | Human Neurokinin 1 receptor (NK1R) substance P Gq chimera (mGsqi) complex | | 分子名称: | Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A. | | 登録日 | 2021-06-29 | | 公開日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | | 主引用文献 | Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features.
Sci Adv, 7, 2021
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6CPG
 | | Structure of dephosphorylated Aurora A (122-403) in complex with inhibiting monobody and AT9283 in an inactive conformation | | 分子名称: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Aurora kinase A, Monobody | | 著者 | Otten, R, Kutter, S, Zorba, A, Padua, R.A.P, Koide, A, Koide, S, Kern, D. | | 登録日 | 2018-03-13 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
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6ROP
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7P02
 | | Human Neurokinin 1 receptor (NK1R) substance P Gs complex | | 分子名称: | Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A. | | 登録日 | 2021-06-29 | | 公開日 | 2021-12-15 | | 実験手法 | ELECTRON MICROSCOPY (2.87 Å) | | 主引用文献 | Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features.
Sci Adv, 7, 2021
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6F6J
 | | Crystal structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1 with Fe(II)/succinate/(3S)-3-hydroxy-L-lysine | | 分子名称: | (2~{S},3~{R})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid, ACETATE ION, FE (III) ION, ... | | 著者 | Isabet, T, Stura, E.A, Legrand, P, Zaparucha, A, Bastard, K. | | 登録日 | 2017-12-05 | | 公開日 | 2018-11-14 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family.
Sci Rep, 8, 2018
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6F82
 | | AKR1B1 at 1.65 MGy radiation dose. | | 分子名称: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Castellvi, A, Juanhuix, J. | | 登録日 | 2017-12-12 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
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6FCS
 | | The X-ray Structure of Lytic Transglycosylase Slt inactive mutant E503Q from Pseudomonas aeruginosa in complex with NAG-NAMpentapeptide-NAG-NAMpentapeptide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, ACETATE ION, ... | | 著者 | Batuecas, M.T, Dominguez-Gil, T, Hermoso, J.A. | | 登録日 | 2017-12-21 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6CGL
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5JRD
 | | E. coli Hydrogenase-1 variant P508A | | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | | 著者 | Carr, S.B, Phillips, S.E.V, Armstrong, F.A, Evans, R.M, Brooke, E.J, Islam, S.T.A. | | 登録日 | 2016-05-06 | | 公開日 | 2017-03-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Importance of the Active Site "Canopy" Residues in an O2-Tolerant [NiFe]-Hydrogenase.
Biochemistry, 56, 2017
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6ROL
 | | Structure of IMP2 KH34 domains | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Insulin-like growth factor 2 mRNA-binding protein 2, ... | | 著者 | Bhaskar, V, Biswas, J, Singer, R.H, Chao, J.A. | | 登録日 | 2019-05-13 | | 公開日 | 2019-10-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The structural basis for RNA selectivity by the IMP family of RNA-binding proteins.
Nat Commun, 10, 2019
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4RCE
 | | Crystal structure of BACE1 in complex with aminooxazoline xanthene inhibitor 2 | | 分子名称: | (4S)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, IODIDE ION | | 著者 | Whittington, D.A, Long, A.M. | | 登録日 | 2014-09-15 | | 公開日 | 2014-12-24 | | 最終更新日 | 2015-01-14 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Lead Optimization and Modulation of hERG Activity in a Series of Aminooxazoline Xanthene beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
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5JG9
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4YYY
 | | X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with uridine | | 分子名称: | CITRIC ACID, TRIETHYLENE GLYCOL, Thymidine phosphorylase, ... | | 著者 | Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | | 登録日 | 2015-03-24 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Acta Crystallogr.,Sect.F, 72, 2016
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5JJJ
 | | Structure of the SRII/HtrII Complex in P64 space group ("U" shape) | | 分子名称: | EICOSANE, RETINAL, Sensory rhodopsin II transducer, ... | | 著者 | Ishchenko, A, Round, E, Borshchevskiy, V, Grudinin, S, Gushchin, I, Klare, J, Remeeva, A, Polovinkin, V, Utrobin, P, Balandin, T, Engelhard, M, Bueldt, G, Gordeliy, V. | | 登録日 | 2016-04-24 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex.
Sci Rep, 7, 2017
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4REO
 | | Mutant ribosomal protein l1 from thermus thermophilus with threonine 217 replaced by valine | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 50S ribosomal protein L1, GLYCINE, ... | | 著者 | Gabdulkhakov, A.G, Nevskaya, N.A, Tishchenko, S.V, Nikonov, S.V. | | 登録日 | 2014-09-23 | | 公開日 | 2015-03-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Protein-RNA affinity of ribosomal protein L1 mutants does not correlate with the number of intermolecular interactions.
Acta Crystallogr.,Sect.D, 71, 2015
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