1JB7
 
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5PGU
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5PZK
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5PZL
 | | CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 2-({3-[1-(2-CYCLOPROPYLETHYL)-6-FLUORO-4-HYDROXY-2-OXO-1,2-DIHYDROQUINOLIN-3-YL]-1,1-DIOXO-1,4-DIHYDRO-1LAMBDA~6~,2,4-BENZOTHIADIAZIN-7-YL}OXY)ACETAMIDE | | 分子名称: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide, RNA-directed RNA polymerase, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-02-27 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
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5PGV
 | | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE | | 分子名称: | 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Sheriff, S. | | 登録日 | 2017-02-06 | | 公開日 | 2017-11-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
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5PZP
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5QII
 | | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(3-(1-(4-CHLOROPHENYL)CYCLOPROPYL) -[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL)PROPAN-2-OL | | 分子名称: | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Sheriff, S. | | 登録日 | 2018-07-03 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 9, 2018
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5QIJ
 | | CRYSTAL STRUCTURE OF MURINE 11B- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-(3-(1-(4- CHLOROPHENYL)CYCLOPROPYL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8- YL)PROPAN-2-OL | | 分子名称: | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Sheriff, S. | | 登録日 | 2018-07-03 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 9, 2018
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5OO2
 | | Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) E419A variant in complex with glucosylglycolate | | 分子名称: | (alpha-D-glucopyranosyloxy)acetic acid, GLYCEROL, SERINE, ... | | 著者 | Cereija, T.B, Macedo-Ribeiro, S, Pereira, P.J.B. | | 登録日 | 2017-08-05 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | The structural characterization of a glucosylglycerate hydrolase provides insights into the molecular mechanism of mycobacterial recovery from nitrogen starvation.
Iucrj, 6, 2019
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5PGX
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5PGY
 | | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336) | | 分子名称: | 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Sheriff, S. | | 登録日 | 2017-02-06 | | 公開日 | 2017-11-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
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5OE1
 | | Im polyamide in complex with 5'CGATGTACATCG3'- hairpin polyamides studies | | 分子名称: | 1-methylimidazole-2-carboxylic acid, 3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium, 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID, ... | | 著者 | Padroni, G, Parkinson, J, Burley, G.A. | | 登録日 | 2017-07-07 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural basis of DNA duplex distortion induced by thiazole-containing hairpin polyamides.
Nucleic Acids Res., 46, 2018
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5ODF
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5PZO
 | | CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE C316N IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-METHYL-5-[3-({2-METHYL-1-OXO-1-[(1,3,4-THIADIAZOL-2-YL)AMINO]PROPAN-2-YL}CARBAMOYL)PHENYL]-1-BENZOFURAN-3-CARBOXAMIDE | | 分子名称: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-(4-fluorophenyl)-N-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide, GLYCEROL, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-02-27 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
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5PZN
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5ONZ
 | | Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) D182A variant in complex with glucosylglycolate | | 分子名称: | (alpha-D-glucopyranosyloxy)acetic acid, GLYCEROL, Hydrolase, ... | | 著者 | Cereija, T.B, Macedo-Ribeiro, S, Pereira, P.J.B. | | 登録日 | 2017-08-04 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | The structural characterization of a glucosylglycerate hydrolase provides insights into the molecular mechanism of mycobacterial recovery from nitrogen starvation.
Iucrj, 6, 2019
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5ONT
 | | Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase(MhGgH) E419A variant in complex with glucosylglycerol | | 分子名称: | 1,3-dihydroxypropan-2-yl alpha-D-glucopyranoside, GLYCEROL, Uncharacterized protein | | 著者 | Cereija, T.B, Macedo-Ribeiro, S, Pereira, P.J.B. | | 登録日 | 2017-08-04 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | The structural characterization of a glucosylglycerate hydrolase provides insights into the molecular mechanism of mycobacterial recovery from nitrogen starvation.
Iucrj, 6, 2019
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5PGZ
 | | CRYSTAL STRUCTURE OF MURINE 11BETA- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336) | | 分子名称: | 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-02-06 | | 公開日 | 2017-11-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
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5PZM
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5PGW
 | | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3- HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE | | 分子名称: | 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Sheriff, S. | | 登録日 | 2017-02-06 | | 公開日 | 2017-11-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
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5QTD
 | | Unliganded T. brucei FPPS | | 分子名称: | Farnesyl pyrophosphate synthase, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | | 登録日 | 2019-08-09 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.642 Å) | | 主引用文献 | Unliganded T. brucei FPPS
To Be Published
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5QTE
 | | T. brucei FPPS in complex with CID 4563894 | | 分子名称: | (4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... | | 著者 | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | | 登録日 | 2019-08-09 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.072 Å) | | 主引用文献 | T. brucei FPPS in complex with CID 4563894
To Be Published
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5QTK
 | | T. brucei FPPS in complex with CID 69539 | | 分子名称: | Farnesyl pyrophosphate synthase, N,N-diethyl-4-methylbenzene-1-sulfonamide, PHOSPHATE ION, ... | | 著者 | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | | 登録日 | 2019-08-09 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.857 Å) | | 主引用文献 | T. brucei FPPS in complex with CID 69539
To Be Published
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5QTG
 | | T. brucei FPPS in complex with CID 126782062 | | 分子名称: | 2-fluoro-N,3-dimethylbenzene-1-sulfonamide, Farnesyl pyrophosphate synthase, GLYCEROL, ... | | 著者 | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | | 登録日 | 2019-08-09 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.093 Å) | | 主引用文献 | T. brucei FPPS in complex with CID 126782062
To Be Published
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5QTF
 | | T. brucei FPPS in complex with CID 144539 | | 分子名称: | 1-(3-chloro-4-fluorophenyl)methanamine, Farnesyl pyrophosphate synthase, GLYCEROL, ... | | 著者 | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | | 登録日 | 2019-08-09 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.783 Å) | | 主引用文献 | T. brucei FPPS in complex with CID 144539
To Be Published
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