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3SNL
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BU of 3snl by Molmil
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
3SNI
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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
2CA7
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BU of 2ca7 by Molmil
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
2YEN
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BU of 2yen by Molmil
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
3TTI
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BU of 3tti by Molmil
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
3TTJ
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BU of 3ttj by Molmil
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
4FCB
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BU of 4fcb by Molmil
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
4FCD
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BU of 4fcd by Molmil
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
1CSM
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BU of 1csm by Molmil
THE CRYSTAL STRUCTURE OF ALLOSTERIC CHORISMATE MUTASE AT 2.2 ANGSTROMS RESOLUTION
Descriptor: CHORISMATE MUTASE, TRYPTOPHAN
Authors:Xue, Y, Lipscomb, W.N.
Deposit date:1994-08-22
Release date:1995-09-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of allosteric chorismate mutase at 2.2-A resolution.
Proc.Natl.Acad.Sci.USA, 91, 1994
3SN7
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BU of 3sn7 by Molmil
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
3CSM
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BU of 3csm by Molmil
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
4CSM
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BU of 4csm by Molmil
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
5CSM
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BU of 5csm by Molmil
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
2CSM
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BU of 2csm by Molmil
TYR-BOUND T-STATE OF YEAST CHORISMATE MUTASE
Descriptor: CHORISMATE MUTASE, TYROSINE
Authors:Straeter, N, Hakansson, K, Lipscomb, W.N.
Deposit date:1995-11-24
Release date:1996-12-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the T state of allosteric yeast chorismate mutase and comparison with the R state.
Proc.Natl.Acad.Sci.USA, 93, 1996
1ZAK
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BU of 1zak by Molmil
ADENYLATE KINASE FROM MAIZE IN COMPLEX WITH THE INHIBITOR P1,P5-BIS(ADENOSINE-5'-)PENTAPHOSPHATE (AP5A)
Descriptor: ADENYLATE KINASE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE
Authors:Wild, K, Schulz, G.E.
Deposit date:1997-05-31
Release date:1998-04-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure, catalysis and supramolecular assembly of adenylate kinase from maize.
Eur.J.Biochem., 250, 1997
7M05
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BU of 7m05 by Molmil
CryoEM structure of PRMT5 bound to covalent PBM-site inhibitor BRD-6988
Descriptor: 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McMillan, B.J, McKinney, D.C, Timm, D.E.
Deposit date:2021-03-10
Release date:2021-03-17
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Discovery of a First-in-Class Inhibitor of the PRMT5-Substrate Adaptor Interaction.
J.Med.Chem., 64, 2021
6V0P
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BU of 6v0p by Molmil
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
2NCA
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BU of 2nca by Molmil
Structural Model for the N-terminal Domain of Human Cdc37
Descriptor: Hsp90 co-chaperone Cdc37
Authors:Zhang, Z, Keramisanou, D, Gelis, I.
Deposit date:2016-03-23
Release date:2016-05-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular Mechanism of Protein Kinase Recognition and Sorting by the Hsp90 Kinome-Specific Cochaperone Cdc37.
Mol.Cell, 62, 2016
2B54
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BU of 2b54 by Molmil
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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