3SNL
 
 | | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | | Descriptor: | 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Malamas, M.S, Ni, Y, Erdei, J, Stange, H, Schindler, R, Lankau, H.-J, Grunwald, C, Fan, K.Y, Parris, K.D, Langen, B, Egerland, U, Hage, T, Marquis, K.L, Grauer, S, Brennan, J, Navarra, R, Graf, R, Harrison, B.L, Robichaud, A, Kronbach, T, Pangalos, M, Hofgen, N, Brandon, N.J. | | Deposit date: | 2011-06-29 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
J.Med.Chem., 54, 2011
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3SNI
 | | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | | Descriptor: | 2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Malamas, M.S, Ni, Y, Erdei, J, Stange, H, Schindler, R, Lankau, H.-J, Grunwald, C, Fan, K.Y, Parris, K.D, Langen, B, Egerland, U, Hage, T, Marquis, K.L, Grauer, S, Brennan, J, Navarra, R, Graf, R, Harrison, B.L, Robichaud, A, Kronbach, T, Pangalos, M, Hofgen, N, Brandon, N.J. | | Deposit date: | 2011-06-29 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
J.Med.Chem., 54, 2011
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2CA7
 | | Conkunitzin-S1 Is The First Member Of A New Kunitz-Type Neurotoxin Family- Structural and Functional Characterization | | Descriptor: | CONKUNITZIN-S1 | | Authors: | Bayrhuber, M, Vijayan, V, Ferber, M, Graf, R, Korukottu, J, Imperial, J, Garrett, J.E, Olivera, B.M, Terlau, H, Zweckstetter, M, Becker, S. | | Deposit date: | 2005-12-19 | | Release date: | 2006-01-05 | | Last modified: | 2020-01-15 | | Method: | SOLUTION NMR | | Cite: | Conkunitzin-S1 is the first member of a new Kunitz-type neurotoxin family. Structural and functional characterization.
J. Biol. Chem., 280, 2005
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2YEN
 | | Solution structure of the skeletal muscle and neuronal voltage gated sodium channel antagonist mu-conotoxin CnIIIC | | Descriptor: | Mu-conotoxin CnIIIC | | Authors: | Favreau, P, Benoit, E, Hocking, H.G, Carlier, L, D'hoedt, D, Leipold, E, Markgraf, R, Schlumberger, S, Cordova, M.A, Gaertner, H, Paolini-Bertrand, M, Hartley, O, Tytgat, J, Heinemann, S.H, Bertrand, D, Boelens, R, Stocklin, R, Molgo, J. | | Deposit date: | 2011-03-28 | | Release date: | 2012-02-08 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | A Novel Mu-Conopeptide, Cniiic, Exerts Potent and Preferential Inhibition of Na(V) 1.2/1.4 Channels and Blocks Neuronal Nicotinic Acetylcholine Receptors.
Br.J.Pharmacol., 166, 2012
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3TTI
 | | Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol | | Authors: | Plantevin-Krenitsky, V, Nadolny, L, Delgado, M, Ayala, L, Clareen, S, Hilgraf, R, Albers, R, Hegde, S, D'Sidocky, N, Sapienza, J, Wright, J, McCarrick, M, Bahmanyar, S, Chamberlain, P, Delker, S.L, Muir, J, Giegel, D, Xu, L, Celeridad, M, Lachowitzer, J, Bennett, B, Moghaddam, M, Khatsenko, O, Katz, J, Fan, R, Bai, A, Tang, Y, Shirley, M.A, Benish, B, Bodine, T, Blease, K, Raymon, H, Cathers, B.E, Satoh, Y. | | Deposit date: | 2011-09-14 | | Release date: | 2012-02-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
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3TTJ
 | | Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury | | Descriptor: | 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine, Mitogen-activated protein kinase 10 | | Authors: | Plantevin-Krenitsky, V, Delgado, M, Nadolny, L, Sahasrabudhe, K, Ayala, S, Clareen, S, Hilgraf, R, Albers, R, Kois, A, Hughes, K, Wright, J, Nowakowski, J, Sudbeck, E, Ghosh, S, Bahmanyar, S, Chamberlain, P, Muir, J, Cathers, B.E, Giegel, D, Xu, L, Celeridad, M, Moghaddam, M, Khatsenko, O, Omholt, P, Katz, J, Pai, S, Fan, R, Tang, Y, Shirley, M.A, Benish, B, Blease, K, Raymon, H, Bhagwat, S, Bennett, B, Satoh, Y. | | Deposit date: | 2011-09-14 | | Release date: | 2012-01-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury.
Bioorg.Med.Chem.Lett., 22, 2012
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4FCB
 | | Potent and Selective Phosphodiesterase 10A Inhibitors | | Descriptor: | 3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Parris, K.D. | | Deposit date: | 2012-05-24 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel triazines as potent and selective phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4FCD
 | | Potent and Selective Phosphodiesterase 10A Inhibitors | | Descriptor: | 1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Parris, K.D. | | Deposit date: | 2012-05-24 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Novel triazines as potent and selective phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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1CSM
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3SN7
 | | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | | Descriptor: | 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Parris, K.D. | | Deposit date: | 2011-06-28 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
J.Med.Chem., 54, 2011
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3CSM
 | | STRUCTURE OF YEAST CHORISMATE MUTASE WITH BOUND TRP AND AN ENDOOXABICYCLIC INHIBITOR | | Descriptor: | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, CHORISMATE MUTASE, TRYPTOPHAN | | Authors: | Straeter, N, Schnappauf, G, Braus, G, Lipscomb, W.N. | | Deposit date: | 1997-07-10 | | Release date: | 1998-01-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Mechanisms of catalysis and allosteric regulation of yeast chorismate mutase from crystal structures.
Structure, 5, 1997
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4CSM
 | | YEAST CHORISMATE MUTASE + TYR + ENDOOXABICYCLIC INHIBITOR | | Descriptor: | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, CHORISMATE MUTASE, TYROSINE | | Authors: | Straeter, N, Schnappauf, G, Braus, G, Lipscomb, W.N. | | Deposit date: | 1997-07-14 | | Release date: | 1998-01-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mechanisms of catalysis and allosteric regulation of yeast chorismate mutase from crystal structures.
Structure, 5, 1997
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5CSM
 | | YEAST CHORISMATE MUTASE, T226S MUTANT, COMPLEX WITH TRP | | Descriptor: | CHORISMATE MUTASE, TRYPTOPHAN | | Authors: | Straeter, N, Schnappauf, G, Braus, G, Lipscomb, W.N. | | Deposit date: | 1997-07-14 | | Release date: | 1998-01-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanisms of catalysis and allosteric regulation of yeast chorismate mutase from crystal structures.
Structure, 5, 1997
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2CSM
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1ZAK
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7M05
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6V0P
 | | PRMT5 complex bound to covalent PBM inhibitor BRD6711 | | Descriptor: | 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | McMillan, B.J, McKinney, D.C. | | Deposit date: | 2019-11-19 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery of a First-in-Class Inhibitor of the PRMT5-Substrate Adaptor Interaction.
J.Med.Chem., 64, 2021
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2NCA
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2B54
 | | Human cyclin dependent kinase 2 (CKD2)complexed with DIN-232305 | | Descriptor: | 6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE, Cell division protein kinase 2 | | Authors: | Chang, C.-C. | | Deposit date: | 2005-09-27 | | Release date: | 2005-10-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis and biological evaluation of 1-aryl-4,5-dihydro-1h-pyraxolo[3,4-d]pyrimidin-4-one inhibitors of cyclin dependent kinases
J.Med.Chem., 47, 2004
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