4E46
 
 | | Structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA in complex with 2-propanol | | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ... | | Authors: | Stsiapanava, A, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I. | | Deposit date: | 2012-03-12 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Expansion of access tunnels and active-site cavities influence activity of haloalkane dehalogenases in organic cosolvents.
Chembiochem, 14, 2013
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7K7R
 | | EBNA1 peptide AA386-405 with Fab MS39p2w174 | | Descriptor: | CHLORIDE ION, EBNA1 peptide AA386-405, Fab HC MS39p2w174, ... | | Authors: | Lanz, T.V, Robinson, W.H, Jude, K.M. | | Deposit date: | 2020-09-23 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Clonally expanded B cells in multiple sclerosis bind EBV EBNA1 and GlialCAM.
Nature, 603, 2022
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4PF7
 | | Crystal structure of insulin degrading enzyme complexed with inhibitor | | Descriptor: | (2S)-2-amino-N-{(1S)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide, Insulin-degrading enzyme, ZINC ION | | Authors: | Wang, Y, Guo, S. | | Deposit date: | 2014-04-28 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
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2M8D
 | | Structure of SRSF1 RRM2 in complex with the RNA 5'-UGAAGGAC-3' | | Descriptor: | RNA (5'-R(*UP*GP*AP*AP*GP*GP*AP*C)-3'), Serine/arginine-rich splicing factor 1 | | Authors: | Clery, A, Sinha, R, Anczukow, O, Corrionero, A, Moursy, A, Daubner, G, Valcarcel, J, Krainer, A.R, Allain, F.H.T. | | Deposit date: | 2013-05-17 | | Release date: | 2013-07-10 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Isolated pseudo-RNA-recognition motifs of SR proteins can regulate splicing using a noncanonical mode of RNA recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5MVD
 | | Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | | Descriptor: | 1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. | | Deposit date: | 2017-01-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
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5MVC
 | | Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | | Descriptor: | 4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. | | Deposit date: | 2017-01-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
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5MUT
 | | Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | | Descriptor: | 2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. | | Deposit date: | 2017-01-14 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
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4W5S
 | | Tankyrase in complex with compound | | Descriptor: | 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ... | | Authors: | Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T. | | Deposit date: | 2014-08-18 | | Release date: | 2015-05-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
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5U6I
 | | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | | Descriptor: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | | Deposit date: | 2016-12-08 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
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4W6E
 | | Human Tankyrase 1 with small molecule inhibitor | | Descriptor: | 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION | | Authors: | Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T. | | Deposit date: | 2014-08-20 | | Release date: | 2015-05-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
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5ADF
 | | Structure of human nNOS R354A G357D mutant heme domain in complex with 7-(((3-((Dimethylamino)methyl)phenyl)amino)methyl)quinolin-2- amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine, NITRIC OXIDE SYNTHASE, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2015-08-20 | | Release date: | 2015-10-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.966 Å) | | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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1HEN
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1HEP
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1HEL
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1HEM
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1HER
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1HEQ
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1HEO
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5XHZ
 | | Crystal Structure Analysis of CIN85-SH3B in complex with ARAP1-P2 | | Descriptor: | ACETATE ION, Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 1, ... | | Authors: | Liu, W, Yang, W. | | Deposit date: | 2017-04-25 | | Release date: | 2018-04-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.319 Å) | | Cite: | Biochemical and Structural Studies of the Interaction between ARAP1 and CIN85.
Biochemistry, 57, 2018
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2FPP
 | | Crystal structure of pig GTP-specific succinyl-CoA synthetase from polyethylene glycol with chloride ions | | Descriptor: | CHLORIDE ION, SULFATE ION, Succinyl-CoA ligase [GDP-forming] alpha-chain, ... | | Authors: | Fraser, M.E, Hayakawa, K, Hume, M.S, Ryan, D.G, Brownie, E.R. | | Deposit date: | 2006-01-16 | | Release date: | 2006-02-21 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Interactions of GTP with the ATP-grasp Domain of GTP-specific Succinyl-CoA Synthetase
J.Biol.Chem., 281, 2006
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2FPG
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2FP4
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2FPI
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1QUW
 | | SOLUTION STRUCTURE OF THE THIOREDOXIN FROM BACILLUS ACIDOCALDARIUS | | Descriptor: | THIOREDOXIN | | Authors: | Nicastro, G, de Chiara, C, Pedone, E, Tato, M, Rossi, M. | | Deposit date: | 1999-07-02 | | Release date: | 2000-01-26 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of a novel thioredoxin from Bacillus acidocaldarius possible determinants of protein stability.
Eur.J.Biochem., 267, 2000
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4L31
 | | Tankyrase 2 in complex with methyl 4-(4-oxochromen-2-yl)benzoate | | Descriptor: | GLYCEROL, SULFATE ION, Tankyrase-2, ... | | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | | Deposit date: | 2013-06-05 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
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