Mine: New entries

5ZJ1
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CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL DERIVATIVE CYT-14
Descriptor:Metallo-beta-lactamase type 2, ZINC ION, methyl (2R)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate, ...
Authors:Zhang, H., Hao, Q.
Deposit date:2018-03-18
Release date:2019-03-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite: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
Descriptor:Metallo-beta-lactamase type 2, (2R)-2-methyl-N-(phenylmethyl)-3-sulfanyl-propanamide, 1,2-ETHANEDIOL, ...
Authors:Zhang, H., Hao, Q.
Deposit date:2018-03-19
Release date:2019-03-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite: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
Descriptor:Metallo-beta-lactamase type 2, ZINC ION, (2S)-2,3-disulfanylpropan-1-ol, ...
Authors:Zhang, H., Hao, Q.
Deposit date:2018-03-19
Release date:2019-03-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite: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
Descriptor:Metallo-beta-lactamase type 2, ZINC ION, 1,2-ETHANEDIOL, ...
Authors:Zhang, H., Hao, Q.
Deposit date:2018-03-20
Release date:2019-03-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published
5ZIO
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CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH L-CAPTOPRIL
Descriptor:Metallo-beta-lactamase type 2, ZINC ION, L-CAPTOPRIL
Authors:Zhang, H., Hao, Q.
Deposit date:2018-03-16
Release date:2019-03-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Crystal structure of NDM-1
to be published
6Q4G
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CDK2 IN COMPLEX WITH FRAGLITE37
Descriptor:Cyclin-dependent kinase 2, 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid
Authors:Wood, D.J., Martin, M.P., Noble, M.E.M.
Deposit date:2018-12-05
Release date:2019-03-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite: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)
Descriptor:Centrosomal protein of 192 kDa, CHLORIDE ION
Authors:Kovalevskiy, O.V., van Breugel, M.
Deposit date:2018-03-02
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1 Å)
Cite:ASH / PapD-like domain of human CEP192 (PapD-like domain 7)
To Be Published
6Q49
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CDK2 IN COMPLEX WITH FRAGLITE6
Descriptor:Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE, 4-bromanyl-1~{H}-pyridin-2-one
Authors:Wood, D.J., Martin, M.P., Noble, M.E.M.
Deposit date:2018-12-05
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1 Å)
Cite: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
Descriptor:Cyclin-dependent kinase 2, 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, DIMETHYL SULFOXIDE
Authors:Wood, D.J., Martin, M.P., Noble, M.E.M.
Deposit date:2018-12-05
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1 Å)
Cite: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
Descriptor:Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE, 4-iodanyl-3~{H}-pyridin-2-one
Authors:Wood, D.J., Martin, M.P., Noble, M.E.M.
Deposit date:2018-12-05
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.03 Å)
Cite: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)
Descriptor:Polyphenol oxidase, chloroplastic, CALCIUM ION, ...
Authors:Kampatsikas, I., Bijelic, A., Pretzler, M., Rompel, A.
Deposit date:2017-09-29
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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
Descriptor:Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE, 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid
Authors:Wood, D.J., Martin, M.P., Noble, M.E.M.
Deposit date:2018-12-05
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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
Descriptor:Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE, 6-iodanyl-7~{H}-purin-2-amine
Authors:Wood, D.J., Martin, M.P., Noble, M.E.M.
Deposit date:2018-12-05
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.06 Å)
Cite: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
Descriptor:Cyclin-dependent kinase 2, (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL
Authors:Wood, D.J., Martin, M.P., Noble, M.E.M.
Deposit date:2018-12-05
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.06 Å)
Cite: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
Descriptor:Cyclin-dependent kinase 2, 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid
Authors:Wood, D.J., Martin, M.P., Noble, M.E.M.
Deposit date:2018-12-05
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.07 Å)
Cite: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
Descriptor:Metallo-beta-lactamase type 2, ZINC ION, 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID
Authors:Zhang, H., Hao, Q.
Deposit date:2018-03-18
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of NDM-1
to be published
6Q3B
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CDK2 IN COMPLEX WITH FRAGLITE2
Descriptor:Cyclin-dependent kinase 2, 4-IODOPYRAZOLE
Authors:Wood, D.J., Martin, M.P., Noble, M.E.M.
Deposit date:2018-12-04
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.11 Å)
Cite: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
Descriptor:Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE, 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid
Authors:Wood, D.J., Martin, M.P., Noble, M.E.M.
Deposit date:2018-12-05
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.11 Å)
Cite: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
Descriptor: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
Authors:Janson, C., Kuglstatter, A.
Deposit date:2018-09-28
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite: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
Descriptor:Cyclin-dependent kinase 2, 5-bromanylpyrimidine
Authors:Wood, D.J., Martin, M.P., Noble, M.E.M.
Deposit date:2018-12-05
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite: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
Descriptor:CYCLIN-DEPENDENT KINASE 2, 5-iodanylpyrimidine
Authors:Wood, D.J., Martin, M.P., Noble, M.E.M.
Deposit date:2018-12-05
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.13 Å)
Cite: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)
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Zhang, X., Wan, Q.
Deposit date:2018-03-12
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite: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
Descriptor:Aminoglycoside phosphotransferase
Authors: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.
Deposit date:2018-02-26
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Structure of aminoglycoside phosphotransferase APH(3'')-Id from Streptomyces rimosus ATCC10970
To Be Published
6Q3F
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CDK2 IN COMPLEX WITH FRAGLITE2
Descriptor:Cyclin-dependent kinase 2, 4-bromanylpyridin-2-amine
Authors:Wood, D.J., Martin, M.P., Noble, M.E.M.
Deposit date:2018-12-04
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.18 Å)
Cite: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)
Descriptor:UDP-glucose-glycoprotein glucosyltransferase-like protein, N-ACETYL-D-GLUCOSAMINE, CALCIUM ION, ...
Authors:Roversi, P., Le Cornu, J.D., Hill, J., Alonzi, D.S., Zitzmann, N.
Deposit date:2018-02-19
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:The catalytic domain of UGGT, the eukaryotic glycoprotein secretion checkpoint.
To Be Published