5LQQ
 
 | | Structure of Autotaxin (ENPP2) with LM350 | | 分子名称: | 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | 著者 | Keune, W.J, Heidebrecht, T, Castelmur, E, Joosten, R.P, Perrakis, A. | | 登録日 | 2016-08-17 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode.
J. Med. Chem., 60, 2017
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5LR6
 | | Crystal Structure of COMT in complex with [3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, Lerner, C, Rudolph, M.G. | | 登録日 | 2016-08-18 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structure of COMT in complex with [3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
To be published
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6SQ3
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7A5A
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5W35
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5W3O
 | | CryoEM structure of rhinovirus B14 in complex with C5 Fab (33 degrees Celsius, molar ratio 1:3, empty particle) | | 分子名称: | C5 antibody variable heavy domain, C5 antibody variable light domain, viral protein 1, ... | | 著者 | Liu, Y, Dong, Y, Rossmann, M.G. | | 登録日 | 2017-06-08 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.01 Å) | | 主引用文献 | Antibody-induced uncoating of human rhinovirus B14.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5LG4
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5W48
 | | Crystal Structure of Riboflavin Lyase (RcaE) | | 分子名称: | Riboflavin Lyase, SULFATE ION | | 著者 | Bhandari, D.M, Chakrabarty, Y, Zhao, B, Wood, J, Li, P, Begley, T.P. | | 登録日 | 2017-06-09 | | 公開日 | 2018-06-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Cannibalism Among the Flavins: a Novel C-N Bond Cleavage in Riboflavin Catabolism Mediated by Flavin-Generated Superoxide Radical
To be Published
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5LGC
 | | T48 deacetylase with substrate | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ArCE4A | | 著者 | Rothweiler, U. | | 登録日 | 2016-07-06 | | 公開日 | 2017-08-02 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structure and function of a CE4 deacetylase isolated from a marine environment.
PLoS ONE, 12, 2017
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5W5X
 | | Crystal structure of BAXP168G in complex with an activating antibody | | 分子名称: | 1,2-ETHANEDIOL, 3C10 Fab' heavy chain, 3C10 Fab' light chain, ... | | 著者 | Robin, A.Y, Colman, P.M, Czabotar, P.E. | | 登録日 | 2017-06-16 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | | 主引用文献 | Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
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5LIA
 | | Crystal structure of murine autotaxin in complex with a small molecule inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Turnbull, A.P, Shah, P, Cheasty, A, Raynham, T, Pang, L, Owen, P. | | 登録日 | 2016-07-14 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Discovery of potent inhibitors of the lysophospholipase autotaxin.
Bioorg. Med. Chem. Lett., 26, 2016
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5LK4
 | | Structure of the Red Fluorescent Protein mScarlet at pH 7.8 | | 分子名称: | DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, TETRAETHYLENE GLYCOL, ... | | 著者 | Aumonier, S, Gotthard, G, Royant, A. | | 登録日 | 2016-07-20 | | 公開日 | 2016-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | mScarlet: a bright monomeric red fluorescent protein for cellular imaging.
Nat. Methods, 14, 2017
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5W67
 | | HLA-C*06:02 presenting VRSRR(ABA)LRL | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | 著者 | Mobbs, J.I, Vivian, J.P, Rossjohn, J. | | 登録日 | 2017-06-16 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The molecular basis for peptide repertoire selection in the human leucocyte antigen (HLA) C*06:02 molecule.
J. Biol. Chem., 292, 2017
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5M1Z
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5W6B
 | | Phosphotriesterase variant S1 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ... | | 著者 | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | | 登録日 | 2017-06-16 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.739 Å) | | 主引用文献 | Phosphotriesterase variant S1
To Be Published
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5LKR
 | | Human Butyrylcholinesterase complexed with N-Propargyliperidines | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ... | | 著者 | Coquelle, N, Knez, D, Colletier, J.P, Gobec, S. | | 登録日 | 2016-07-23 | | 公開日 | 2016-12-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents.
Bioorg. Med. Chem., 25, 2017
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5VUF
 | | HLA-B*57:01 presenting LTVQVARVY | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ... | | 著者 | Pymm, P, Rossjohn, J, Vivian, J.P. | | 登録日 | 2017-05-19 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | HLA-B57 micropolymorphism defines the sequence and conformational breadth of the immunopeptidome.
Nat Commun, 9, 2018
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5M2H
 | | Crystal structure of vancomycin-Zn(II)-citrate complex | | 分子名称: | CITRIC ACID, HEXAETHYLENE GLYCOL, Vancomycin, ... | | 著者 | Zarkan, A, Macklyne, H.-R, Chirgadze, D.Y, Bond, A.D, Hesketh, A.R, Hong, H.-J. | | 登録日 | 2016-10-13 | | 公開日 | 2017-07-19 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | | 主引用文献 | Zn(II) mediates vancomycin polymerization and potentiates its antibiotic activity against resistant bacteria.
Sci Rep, 7, 2017
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5VUQ
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)benzonitrile | | 分子名称: | 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2017-05-19 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | | 主引用文献 | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
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5VV1
 | | Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(4-Methoxypyridin-3-yl)propyl)amino)methyl)quinolin-2-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine, Nitric oxide synthase, ... | | 著者 | Huiying, L, Thomas, L.P. | | 登録日 | 2017-05-19 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
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5W6O
 | | Choline Kinase Alpha in Complex with TCD-717 | | 分子名称: | 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Kall, S.K, Lavie, A. | | 登録日 | 2017-06-16 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Identification of a Unique Inhibitor-Binding Site on Choline Kinase alpha.
Biochemistry, 57, 2018
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5VVC
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | 著者 | Chreifi, G, Li, H, Poulos, T.L. | | 登録日 | 2017-05-19 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
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5VWB
 | | Y316F mutant of corn root ferredoxin:NADP+ reductase in alternate space group | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, MAGNESIUM ION, ... | | 著者 | Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. | | 登録日 | 2017-05-21 | | 公開日 | 2017-08-23 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily.
FEBS J., 284, 2017
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5VWJ
 | | HLA-B*58:01 presenting LTVQVARVW | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-58 alpha chain, ... | | 著者 | Pymm, P, Rossjohn, J, Vivian, J.P. | | 登録日 | 2017-05-22 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | HLA-B57 micropolymorphism defines the sequence and conformational breadth of the immunopeptidome.
Nat Commun, 9, 2018
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5VY9
 | | S. cerevisiae Hsp104:casein complex, Middle Domain Conformation | | 分子名称: | Alpha-S1-casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | 著者 | Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R. | | 登録日 | 2017-05-24 | | 公開日 | 2017-07-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (6.7 Å) | | 主引用文献 | Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104.
Science, 357, 2017
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