3VAP
 
 | | Synthesis and SAR Studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off target kinase selectivity | | 分子名称: | 3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-6-methyl-8-[(3-{[(1R,3R)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium, Aurora kinase A | | 著者 | Voss, M.E, Rainka, M.P, Fleming, M, Peterson, L.H, Belanger, D.B, Siddiqui, M.A, Hruza, A, Voigt, J, Basso, A.D, Gray, K. | | 登録日 | 2011-12-29 | | 公開日 | 2012-05-02 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Synthesis and SAR studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off-target kinase selectivity.
Bioorg.Med.Chem.Lett., 22, 2012
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1G37
 | | CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH BCH-10556 AND EXOSITE-DIRECTED PEPTIDE | | 分子名称: | 3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-[(4-OXO-2-PHENYLMETHANESULFONYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER, ALPHA THROMBIN, THROMBIN NONAPEPTIDE INHIBITOR | | 著者 | Bachand, B, Tarazi, M, St-Denis, Y, Edmunds, J.J, Winocour, P.D, Leblond, L, Siddiqui, M.A. | | 登録日 | 2000-10-23 | | 公開日 | 2001-04-21 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Potent and selective bicyclic lactam inhibitors of thrombin. Part 4: transition state inhibitors.
Bioorg.Med.Chem.Lett., 11, 2001
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1JWT
 | | CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH A NOVEL BICYCLIC LACTAM INHIBITOR | | 分子名称: | 4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE, Prothrombin | | 著者 | Levesque, S, St-Denis, Y, Bachand, B, Preville, P, Leblond, L, Winocour, P.D, Edmunds, J.J, Rubin, J.R, Siddiqui, M.A. | | 登録日 | 2001-09-05 | | 公開日 | 2002-02-27 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization through P1 residues.
Bioorg.Med.Chem.Lett., 11, 2001
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3L0V
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3L0T
 | | Crystal structure of catalytic domain of TACE with hydantoin inhibitor | | 分子名称: | Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | 著者 | Orth, P. | | 登録日 | 2009-12-10 | | 公開日 | 2010-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3LEA
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3LGP
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4K5U
 | | Recognition of the BG-H Antigen by a Lamprey Variable Lymphocyte Receptor | | 分子名称: | Variable lymphocyte receptor, beta-D-galactopyranose | | 著者 | Luo, M, Velikovsky, C.A, Yang, X.B, Mariuzza, R.A. | | 登録日 | 2013-04-15 | | 公開日 | 2013-06-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | | 主引用文献 | Recognition of the thomsen-friedenreich pancarcinoma carbohydrate antigen by a lamprey variable lymphocyte receptor.
J.Biol.Chem., 288, 2013
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4K79
 | | Recognition of the Thomsen-Friedenreich Antigen by a Lamprey Variable Lymphocyte Receptor | | 分子名称: | Variable lymphocyte receptor, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose | | 著者 | Luo, M, Velikovsky, C.A, Yang, X.B, Mariuzza, R.A. | | 登録日 | 2013-04-16 | | 公開日 | 2013-06-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Recognition of the thomsen-friedenreich pancarcinoma carbohydrate antigen by a lamprey variable lymphocyte receptor.
J.Biol.Chem., 288, 2013
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4NJ3
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3O64
 | | Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides | | 分子名称: | (2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide, CALCIUM ION, ISOPROPYL ALCOHOL, ... | | 著者 | Orth, P. | | 登録日 | 2010-07-28 | | 公開日 | 2011-04-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | 2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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3NRM
 | | Imidazo[1,2-a]pyrazine-based Aurora Kinase Inhibitors | | 分子名称: | N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine, Serine/threonine-protein kinase 6 | | 著者 | Hruza, A. | | 登録日 | 2010-06-30 | | 公開日 | 2010-08-18 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Discovery of imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3LE9
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3PA3
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3MYG
 | | Aurora A Kinase complexed with SCH 1473759 | | 分子名称: | 2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol, Serine/threonine-protein kinase 6, TETRAETHYLENE GLYCOL | | 著者 | Hruza, A, Prosis, W, Ramanathan, L. | | 登録日 | 2010-05-10 | | 公開日 | 2010-07-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of a Potent, Injectable Inhibitor of Aurora Kinases Based on the Imidazo-[1,2-a]-Pyrazine Core.
ACS Med Chem Lett, 1, 2010
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3PA4
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3PA5
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7EU5
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000107 | | 分子名称: | 6-fluoranyl-10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K. | | 登録日 | 2021-05-16 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.731 Å) | | 主引用文献 | Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 12, 2022
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7ET7
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000028 | | 分子名称: | 10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K. | | 登録日 | 2021-05-12 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 12, 2022
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