Mine: 新規公開されたエントリー

5ZJ1
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CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL DERIVATIVE CYT-14
分子名称:Metallo-beta-lactamase type 2, ZINC ION, methyl (2R)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate, ...
著者Zhang, H., Hao, Q.
登録日2018-03-18
公開日2019-03-20
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Crystal structure of NDM-1
to be published
5ZJ7
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CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL DERIVATIVE CY22
分子名称:Metallo-beta-lactamase type 2, (2R)-2-methyl-N-(phenylmethyl)-3-sulfanyl-propanamide, 1,2-ETHANEDIOL, ...
著者Zhang, H., Hao, Q.
登録日2018-03-19
公開日2019-03-20
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Crystal structure of NDM-1
to be published
5ZJ8
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CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL DERIVATIVE CY32
分子名称:Metallo-beta-lactamase type 2, ZINC ION, (2S)-2,3-disulfanylpropan-1-ol, ...
著者Zhang, H., Hao, Q.
登録日2018-03-19
公開日2019-03-20
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Crystal structure of NDM-1
to be published
5ZJC
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CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL DERIVATIVE CY41
分子名称:Metallo-beta-lactamase type 2, ZINC ION, 1,2-ETHANEDIOL, ...
著者Zhang, H., Hao, Q.
登録日2018-03-20
公開日2019-03-20
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Crystal structure of NDM-1
to be published
5ZIO
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CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH L-CAPTOPRIL
分子名称:Metallo-beta-lactamase type 2, ZINC ION, L-CAPTOPRIL
著者Zhang, H., Hao, Q.
登録日2018-03-16
公開日2019-03-20
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Crystal structure of NDM-1
to be published
6Q4G
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CDK2 IN COMPLEX WITH FRAGLITE37
分子名称:Cyclin-dependent kinase 2, 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid
著者Wood, D.J., Martin, M.P., Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation.
J.Med.Chem., 2019
6FVI
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ASH / PAPD-LIKE DOMAIN OF HUMAN CEP192 (PAPD-LIKE DOMAIN 7)
分子名称:Centrosomal protein of 192 kDa, CHLORIDE ION
著者Kovalevskiy, O.V., van Breugel, M.
登録日2018-03-02
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献ASH / PapD-like domain of human CEP192 (PapD-like domain 7)
To Be Published
6Q49
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CDK2 IN COMPLEX WITH FRAGLITE6
分子名称:Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE, 4-bromanyl-1~{H}-pyridin-2-one
著者Wood, D.J., Martin, M.P., Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation.
J.Med.Chem., 2019
6Q4H
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CDK2 IN COMPLEX WITH FRAGLITE36
分子名称:Cyclin-dependent kinase 2, 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, DIMETHYL SULFOXIDE
著者Wood, D.J., Martin, M.P., Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation.
J.Med.Chem., 2019
6Q48
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CDK2 IN COMPLEX WITH FRAGLITE7
分子名称:Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE, 4-iodanyl-3~{H}-pyridin-2-one
著者Wood, D.J., Martin, M.P., Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation.
J.Med.Chem., 2019
6ELV
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RECOMBINANTLY EXPRESSED C-TERMINAL DOMAIN OF MDPPO1 (CSOLE-DOMAIN)
分子名称:Polyphenol oxidase, chloroplastic, CALCIUM ION, ...
著者Kampatsikas, I., Bijelic, A., Pretzler, M., Rompel, A.
登録日2017-09-29
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献A peptide inducing self-cleavage reaction initiates the activation of tyrosinase.
Angew.Chem.Int.Ed.Engl., 2019
6Q4J
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CDK2 IN COMPLEX WITH FRAGLITE34
分子名称:Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE, 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid
著者Wood, D.J., Martin, M.P., Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation.
J.Med.Chem., 2019
6Q4E
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CDK2 IN COMPLEX WITH FRAGLITE33
分子名称:Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE, 6-iodanyl-7~{H}-purin-2-amine
著者Wood, D.J., Martin, M.P., Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation.
J.Med.Chem., 2019
6Q4K
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CDK2 IN COMPLEX WITH FRAGLITE38
分子名称:Cyclin-dependent kinase 2, (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL
著者Wood, D.J., Martin, M.P., Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation.
J.Med.Chem., 2019
6Q4D
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CDK2 IN COMPLEX WITH FRAGLITE31
分子名称:Cyclin-dependent kinase 2, 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid
著者Wood, D.J., Martin, M.P., Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation.
J.Med.Chem., 2019
5ZJ2
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CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL
分子名称:Metallo-beta-lactamase type 2, ZINC ION, 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID
著者Zhang, H., Hao, Q.
登録日2018-03-18
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of NDM-1
to be published
6Q3B
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CDK2 IN COMPLEX WITH FRAGLITE2
分子名称:Cyclin-dependent kinase 2, 4-IODOPYRAZOLE
著者Wood, D.J., Martin, M.P., Noble, M.E.M.
登録日2018-12-04
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation.
J.Med.Chem., 2019
6Q4I
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CDK2 IN COMPLEX WITH FRAGLITE35
分子名称:Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE, 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid
著者Wood, D.J., Martin, M.P., Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation.
J.Med.Chem., 2019
6HRP
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CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 6-(DIMETHYLAMINO)-2-[2-(HYDROXYMETHYL)-3-[1-METHYL-5-[[5-(MORPHOLINE-4-CARBONYL)-2-PYRIDYL]AMINO]-6-OXO-3-PYRIDYL]PHENYL]-3,4-DIHYDROISOQUINOLIN-1-ONE
分子名称:Tyrosine-protein kinase BTK, 6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one
著者Janson, C., Kuglstatter, A.
登録日2018-09-28
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献A potent seven-membered cyclic BTK (Bruton's tyrosine Kinase) chiral inhibitor conceived by structure-based drug design to lock its bioactive conformation.
Bioorg.Med.Chem.Lett., 2019
6Q4B
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CDK2 IN COMPLEX WITH FRAGLITE13
分子名称:Cyclin-dependent kinase 2, 5-bromanylpyrimidine
著者Wood, D.J., Martin, M.P., Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation.
J.Med.Chem., 2019
6Q4A
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CDK2 IN COMPLEX WITH FRAGLITE14
分子名称:CYCLIN-DEPENDENT KINASE 2, 5-iodanylpyrimidine
著者Wood, D.J., Martin, M.P., Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation.
J.Med.Chem., 2019
5ZH9
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CRYSTAL STRUCTURES OF MUTANT ENDO-BETA-1,4-XYLANASE II (Y88F)
分子名称:Endo-1,4-beta-xylanase 2, IODIDE ION
著者Zhang, X., Wan, Q.
登録日2018-03-12
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal Structures of Mutant Endo-beta-1,4-xylanase II
To be published
6FUC
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STRUCTURE OF AMINOGLYCOSIDE PHOSPHOTRANSFERASE APH(3'')-ID FROM STREPTOMYCES RIMOSUS ATCC10970
分子名称:Aminoglycoside phosphotransferase
著者Boyko, K.M., Nikolaeva, A.Y., Korzhenevskiy, D.A., Alekseeva, M.G., Mavletova, D.A., Zakharevich, N.V., Rudakova, N.N., Danilenko, V.N., Popov, V.O.
登録日2018-02-26
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Structure of aminoglycoside phosphotransferase APH(3'')-Id from Streptomyces rimosus ATCC10970
To Be Published
6Q3F
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CDK2 IN COMPLEX WITH FRAGLITE2
分子名称:Cyclin-dependent kinase 2, 4-bromanylpyridin-2-amine
著者Wood, D.J., Martin, M.P., Noble, M.E.M.
登録日2018-12-04
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation.
J.Med.Chem., 2019
6FSN
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CATALYTIC DOMAIN OF UDP-GLUCOSE GLYCOPROTEIN GLUCOSYLTRANSFERASE FROM CHAETOMIUM THERMOPHILUM IN COMPLEX WITH UDP-GLUCOSE (CONFORMATION 1)
分子名称:UDP-glucose-glycoprotein glucosyltransferase-like protein, N-ACETYL-D-GLUCOSAMINE, CALCIUM ION, ...
著者Roversi, P., Le Cornu, J.D., Hill, J., Alonzi, D.S., Zitzmann, N.
登録日2018-02-19
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献The catalytic domain of UGGT, the eukaryotic glycoprotein secretion checkpoint.
To Be Published