6I1N
 
 | | Plasmodium falciparum spermidine synthase in complex with N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, GLYCEROL, Spermidine synthase, ... | | Authors: | Sprenger, J, Coertzen, D, Persson, L, Carey, J, Birkholtz, L.M, Louw, B.I. | | Deposit date: | 2018-10-29 | | Release date: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (1.85000134 Å) | | Cite: | Plasmodium falciparum spermidine synthase in complex with N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine
To Be Published
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5MRD
 | | Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Arencibia, J.M, Froehner, W, Krupa, M, Pastor-Flores, D, Merker, P, Oellerich, T, Neimanis, S, Schmithals, C, Koeberle, V, Suess, E, Zeuzem, S, Stark, H, Piiper, A, Odadzic, D, Schulze, J.O, Biondi, R.M. | | Deposit date: | 2016-12-22 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms.
ACS Chem. Biol., 12, 2017
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6HY1
 | | Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine after catalysis in crystal | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ... | | Authors: | Sprenger, J, Coertzen, D, Persson, L, Carey, J, Birkholtz, L.M, Louw, B.I. | | Deposit date: | 2018-10-19 | | Release date: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine after catalysis in crystal
To Be Published
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4FEQ
 | | Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky) | | Descriptor: | 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase receptor TYRO3 | | Authors: | Ohren, J.F, Powell, N.A, Kohrt, J.T, Perrin, L.A. | | Deposit date: | 2012-05-30 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase.
Bioorg.Med.Chem.Lett., 23, 2013
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4PAD
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4FF8
 | | Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky) | | Descriptor: | 4-(cyclopentylamino)-2-[(2-methoxybenzyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide, Tyrosine-protein kinase receptor TYRO3 | | Authors: | Ohren, J.F, Powell, N.A, Kohrt, J, Perrin, L.A. | | Deposit date: | 2012-05-31 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase.
Bioorg.Med.Chem.Lett., 23, 2013
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4Z35
 | | Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-9910539 | | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid, Lysophosphatidic acid receptor 1,Soluble cytochrome b562 | | Authors: | Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR) | | Deposit date: | 2015-03-30 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
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4Z34
 | | Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO9780307 | | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, Lysophosphatidic acid receptor 1, Soluble cytochrome b562, ... | | Authors: | Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR) | | Deposit date: | 2015-03-30 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
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3QUP
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3O7J
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3R8A
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4Z36
 | | Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-3080573 | | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid, Lysophosphatidic acid receptor 1,Soluble cytochrome b562 | | Authors: | Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR) | | Deposit date: | 2015-03-30 | | Release date: | 2015-06-03 | | Last modified: | 2015-07-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
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3O7I
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3O7H
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3NNK
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3O7K
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4HHW
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4BP1
 | | Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Methylthioadenosine and Putrescine | | Descriptor: | 1,4-DIAMINOBUTANE, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | | Authors: | Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L. | | Deposit date: | 2013-05-23 | | Release date: | 2014-06-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design
Acta Crystallogr.,Sect.D, 71, 2015
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4GH8
 | | Crystal structure of a 'humanized' E. coli dihydrofolate reductase | | Descriptor: | CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ... | | Authors: | French, J.B, Liu, C.T, Hanoian, P, Pringle, T.H, Hammes-Schiffer, S, Benkovic, S.J. | | Deposit date: | 2012-08-07 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3QW3
 | | Structure of Leishmania donovani OMP decarboxylase | | Descriptor: | Orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative (Ompdcase-oprtase, putative), ... | | Authors: | French, J.B, Ealick, S.E. | | Deposit date: | 2011-02-26 | | Release date: | 2011-04-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Leishmania donovani UMP synthase is essential for promastigote viability and has an unusual tetrameric structure that exhibits substrate-controlled oligomerization.
J.Biol.Chem., 286, 2011
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3O91
 | | High resolution crystal structures of Streptococcus pneumoniae nicotinamidase with trapped intermediates provide insights into catalytic mechanism and inhibition by aldehydes | | Descriptor: | ZINC ION, nicotinamidase | | Authors: | French, J.B, Cen, Y, Sauve, A.A, Ealick, S.E. | | Deposit date: | 2010-08-03 | | Release date: | 2011-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | High-resolution crystal structures of Streptococcus pneumoniae nicotinamidase with trapped intermediates provide insights into the catalytic mechanism and inhibition by aldehydes .
Biochemistry, 49, 2010
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3O90
 | | High resolution crystal structures of Streptococcus pneumoniae nicotinamidase with trapped intermediates provide insights into catalytic mechanism and inhibition by aldehydes | | Descriptor: | ZINC ION, nicotinamidase | | Authors: | French, J.B, Cen, Y, Sauve, A.A, Ealick, S.E. | | Deposit date: | 2010-08-03 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | High-resolution crystal structures of Streptococcus pneumoniae nicotinamidase with trapped intermediates provide insights into the catalytic mechanism and inhibition by aldehydes .
Biochemistry, 49, 2010
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3O92
 | | High resolution crystal structures of Streptococcus pneumoniae nicotinamidase with trapped intermediates provide insights into catalytic mechanism and inhibition by aldehydes | | Descriptor: | ZINC ION, nicotinamidase | | Authors: | French, J.B, Cen, Y, Sauve, A.A, Ealick, S.E. | | Deposit date: | 2010-08-03 | | Release date: | 2011-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution crystal structures of Streptococcus pneumoniae nicotinamidase with trapped intermediates provide insights into the catalytic mechanism and inhibition by aldehydes .
Biochemistry, 49, 2010
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3O93
 | | High resolution crystal structures of Streptococcus pneumoniae nicotinamidase with trapped intermediates provide insights into catalytic mechanism and inhibition by aldehydes | | Descriptor: | ZINC ION, nicotinamidase | | Authors: | French, J.B, Cen, Y, Sauve, A.A, Ealick, S.E. | | Deposit date: | 2010-08-03 | | Release date: | 2011-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | High-resolution crystal structures of Streptococcus pneumoniae nicotinamidase with trapped intermediates provide insights into the catalytic mechanism and inhibition by aldehydes .
Biochemistry, 49, 2010
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3O94
 | | High resolution crystal structures of Streptococcus pneumoniae nicotinamidase with trapped intermediates provide insights into catalytic mechanism and inhibition by aldehydes | | Descriptor: | NICOTINAMIDE, ZINC ION, nicotinamidase | | Authors: | French, J.B, Cen, Y, Sauve, A.A, Ealick, S.E. | | Deposit date: | 2010-08-03 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High-resolution crystal structures of Streptococcus pneumoniae nicotinamidase with trapped intermediates provide insights into the catalytic mechanism and inhibition by aldehydes .
Biochemistry, 49, 2010
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