2ZDZ
 
 | | X-ray structure of Bace-1 in complex with compound 3.b.10 | | 分子名称: | Beta-secretase 1, N-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide | | 著者 | Chopra, R, Olland, A. | | 登録日 | 2007-12-04 | | 公開日 | 2008-12-09 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.
Bioorg.Med.Chem.Lett., 18, 2008
|
|
2ZE1
 | | X-ray structure of Bace-1 in complex with compound 6g | | 分子名称: | 3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide, Beta-secretase 1 | | 著者 | Chopra, R, Olland, A. | | 登録日 | 2007-12-05 | | 公開日 | 2008-12-09 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.
Bioorg.Med.Chem.Lett., 18, 2008
|
|
6MAU
 | | Crystal structure of human BRD4(1) in complex with CN210 (compound 19) | | 分子名称: | 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol, Bromodomain-containing protein 4, GLYCEROL | | 著者 | Nadupalli, A, Fontano, E, Connors, C.R, Chan, S.G, Olland, A.M, Lakshminarasimhan, D, White, A, Suto, R.K. | | 登録日 | 2018-08-28 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases.
Bioorg. Med. Chem. Lett., 29, 2019
|
|
3RM9
 | | AMCase in complex with Compound 3 | | 分子名称: | 4-(4-chlorophenyl)piperazine-1-carboximidamide, Acidic mammalian chitinase | | 著者 | Olland, A. | | 登録日 | 2011-04-20 | | 公開日 | 2011-08-24 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
|
|
3RM4
 | | AMCase in complex with Compound 1 | | 分子名称: | 5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4H-1,2,4-triazol-3-amine, Acidic mammalian chitinase | | 著者 | Olland, A. | | 登録日 | 2011-04-20 | | 公開日 | 2011-08-24 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
|
|
3RM8
 | | AMCase in complex with Compound 2 | | 分子名称: | 2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole, Acidic mammalian chitinase | | 著者 | Olland, A. | | 登録日 | 2011-04-20 | | 公開日 | 2011-08-24 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
|
|
3RME
 | | AMCase in complex with Compound 5 | | 分子名称: | Acidic mammalian chitinase, GLYCEROL, N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide | | 著者 | Olland, A. | | 登録日 | 2011-04-20 | | 公開日 | 2011-08-24 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
|
|
9D4W
 | | Structure of PAK1 in complex with compound 12 | | 分子名称: | N~2~-{[(1s,4s)-4-aminocyclohexyl]methyl}-N~4~-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-2,4-diamine, Serine/threonine-protein kinase PAK 1 | | 著者 | Dementiev, A, Suto, R.K, Olland, A.M. | | 登録日 | 2024-08-13 | | 公開日 | 2025-04-02 | | 最終更新日 | 2025-06-25 | | 実験手法 | X-RAY DIFFRACTION (2.218 Å) | | 主引用文献 | Identification of a p21-activated kinase 1 (PAK1) inhibitor with 10-fold selectivity against PAK2.
Bioorg.Med.Chem.Lett., 2025
|
|
9D4V
 | | Structure of PAK1 in complex with compound 7 | | 分子名称: | N~2~-{[(1s,4s)-4-aminocyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase PAK 1 | | 著者 | Dementiev, A, Boone, C.D, Suto, R.K, Olland, A.M. | | 登録日 | 2024-08-13 | | 公開日 | 2025-04-02 | | 最終更新日 | 2025-06-25 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Identification of a p21-activated kinase 1 (PAK1) inhibitor with 10-fold selectivity against PAK2.
Bioorg.Med.Chem.Lett., 2025
|
|
9D4Y
 | | Structure of PAK1 in complex with compound 31 | | 分子名称: | N~2~-{[(1R,3R,4S)-4-amino-3-(3-chlorophenyl)cyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase PAK 1 | | 著者 | Fontano, E, Suto, R.K, Olland, A.M. | | 登録日 | 2024-08-13 | | 公開日 | 2025-04-02 | | 最終更新日 | 2025-06-25 | | 実験手法 | X-RAY DIFFRACTION (1.847 Å) | | 主引用文献 | Identification of a p21-activated kinase 1 (PAK1) inhibitor with 10-fold selectivity against PAK2.
Bioorg.Med.Chem.Lett., 2025
|
|
9D53
 | | PAK4 in complex with compound 7 | | 分子名称: | N~2~-{[(1s,4s)-4-aminocyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase PAK 4 | | 著者 | Boone, C.D, Olland, A.M, Suto, R.K. | | 登録日 | 2024-08-13 | | 公開日 | 2025-04-02 | | 最終更新日 | 2025-06-25 | | 実験手法 | X-RAY DIFFRACTION (2.468 Å) | | 主引用文献 | Identification of a p21-activated kinase 1 (PAK1) inhibitor with 10-fold selectivity against PAK2.
Bioorg.Med.Chem.Lett., 2025
|
|
9D50
 | | Structure of PAK1 in complex with compound 24 | | 分子名称: | 3-cyano-N-[3-({6-[(5-cyclopropyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl}amino)bicyclo[1.1.1]pentan-1-yl]azetidine-3-carboxamide, Serine/threonine-protein kinase PAK 1 | | 著者 | Fontano, E, Suto, R.K, Olland, A.M. | | 登録日 | 2024-08-13 | | 公開日 | 2025-04-02 | | 最終更新日 | 2025-06-25 | | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | | 主引用文献 | Identification of a p21-activated kinase 1 (PAK1) inhibitor with 10-fold selectivity against PAK2.
Bioorg.Med.Chem.Lett., 2025
|
|
9D51
 | | Structure of PAK2 in complex with compound 12 | | 分子名称: | N~2~-{[(1s,4s)-4-aminocyclohexyl]methyl}-N~4~-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-2,4-diamine, PAK-2p34 | | 著者 | Cakici, O, Suto, R.K, Olland, A.M. | | 登録日 | 2024-08-13 | | 公開日 | 2025-04-02 | | 最終更新日 | 2025-06-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Identification of a p21-activated kinase 1 (PAK1) inhibitor with 10-fold selectivity against PAK2.
Bioorg.Med.Chem.Lett., 2025
|
|
9D4X
 | | Structure of PAK1 in complex with compound 16 | | 分子名称: | N~2~-{[(1R,3R,4S)-4-amino-3-(3-chlorophenyl)cyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase PAK 1 | | 著者 | Dementiev, A, Suto, R.K, Olland, A.M. | | 登録日 | 2024-08-13 | | 公開日 | 2025-04-02 | | 最終更新日 | 2025-06-25 | | 実験手法 | X-RAY DIFFRACTION (1.847 Å) | | 主引用文献 | Identification of a p21-activated kinase 1 (PAK1) inhibitor with 10-fold selectivity against PAK2.
Bioorg.Med.Chem.Lett., 2025
|
|
