1X7K
 
 | |
2AX1
 | | Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5ee) | | 分子名称: | 5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION | | 著者 | Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. | | 登録日 | 2005-09-02 | | 公開日 | 2006-01-24 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase.
J.Med.Chem., 49, 2006
|
|
2AX0
 | | Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5x) | | 分子名称: | 5R-(2E-METHYL-3-PHENYL-ALLYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION | | 著者 | Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. | | 登録日 | 2005-09-02 | | 公開日 | 2006-01-24 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase.
J.Med.Chem., 49, 2006
|
|
2AWZ
 | | Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5h) | | 分子名称: | 5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION | | 著者 | Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. | | 登録日 | 2005-09-02 | | 公開日 | 2006-01-24 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase.
J.Med.Chem., 49, 2006
|
|
1RKK
 | |
2B5K
 | |
1QXQ
 | |
1QX9
 | |
6Z9D
 | |
3FRJ
 | | Crystal Structure of 11b-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Piperidyl Benzamide Inhibitor | | 分子名称: | Corticosteroid 11-beta-Dehydrogenase, Isozyme 1, N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, ... | | 著者 | Wang, Z, Sudom, A, Walker, N.P. | | 登録日 | 2009-01-08 | | 公開日 | 2009-06-16 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery and optimization of piperidyl benzamide derivatives as a novel class of 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
6XRN
 | | Crystal structure of human PI3K-gamma in complex with Compound 17 | | 分子名称: | 2-amino-5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | 著者 | Walker, N.P, Jeffrey, J.L. | | 登録日 | 2020-07-13 | | 公開日 | 2021-11-03 | | 最終更新日 | 2022-02-09 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | Design, Synthesis, and Structure-Activity Relationship Optimization of Pyrazolopyrimidine Amide Inhibitors of Phosphoinositide 3-Kinase gamma (PI3K gamma ).
J.Med.Chem., 65, 2022
|
|
6XRL
 | | Crystal structure of human PI3K-gamma in complex with inhibitor IPI-549 | | 分子名称: | 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Walker, N.P, Jeffrey, J.L. | | 登録日 | 2020-07-13 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Discovery of Potent and Selective PI3K gamma Inhibitors.
J.Med.Chem., 63, 2020
|
|
6XUG
 | |
6XUQ
 | |
6YE1
 | | Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A894 (compound 2n in publication) in the closed form (crystal form IV) | | 分子名称: | 5'-nucleotidase, ZINC ION, [(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid | | 著者 | Scaletti, E, Strater, N. | | 登録日 | 2020-03-23 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
|
|
6YE2
 | |
6XRM
 | | Crystal structure of human PI3K-gamma in complex with Compound 4 | | 分子名称: | 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Walker, N.P, Jeffrey, J.L. | | 登録日 | 2020-07-13 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | Discovery of Potent and Selective PI3K gamma Inhibitors.
J.Med.Chem., 63, 2020
|
|
6XUE
 | |
6Z9B
 | |
3CZR
 | | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Arylsulfonylpiperazine Inhibitor | | 分子名称: | (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase isozyme 1, ... | | 著者 | Wang, Z, Sudom, A, Walker, N.P. | | 登録日 | 2008-04-29 | | 公開日 | 2008-06-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1)
Bioorg.Med.Chem.Lett., 18, 2008
|
|
3D3E
 | | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Benzamide Inhibitor | | 分子名称: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Wang, Z, Sudom, A, Liu, J, Walker, N.P. | | 登録日 | 2008-05-09 | | 公開日 | 2008-07-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model
J.Med.Chem., 51, 2008
|
|
3D4N
 | | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Sulfonamide Inhibitor | | 分子名称: | 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Wang, Z, Liu, J, Sudom, A, Walker, N.P. | | 登録日 | 2008-05-14 | | 公開日 | 2008-07-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model
J.Med.Chem., 51, 2008
|
|
3D5Q
 | | Crystal Structure of 11b-HSD1 in Complex with Triazole Inhibitor | | 分子名称: | 3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Wang, Z, Liu, J, Sudom, A, Walker, N.P.C. | | 登録日 | 2008-05-16 | | 公開日 | 2008-10-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Distinctive molecular inhibition mechanisms for selective inhibitors of human 11beta-hydroxysteroid dehydrogenase type 1.
Bioorg.Med.Chem., 16, 2008
|
|
3FCO
 | | Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Benzamide Inhibitor | | 分子名称: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Wang, Z, Sudom, A, Walker, N.P. | | 登録日 | 2008-11-21 | | 公開日 | 2009-12-01 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Optimization of novel di-substituted cyclohexylbenzamide derivatives as potent 11 beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
3OQ1
 | | Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Diarylsulfone Inhibitor | | 分子名称: | 3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Wang, Z, Sudom, A, Walker, N.P. | | 登録日 | 2010-09-02 | | 公開日 | 2011-07-20 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The synthesis and SAR of novel diarylsulfone 11beta-HSD1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
|
|
