3W1P
 
 | | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Descriptor: | 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2012-11-19 | | Release date: | 2013-11-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
To be Published
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6MFV
 | | Crystal structure of the Signal Transduction ATPase with Numerous Domains (STAND) protein with a tetratricopeptide repeat sensor PH0952 from Pyrococcus horikoshii | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, tetratricopeptide repeat sensor PH0952 | | Authors: | Lisa, M.N, Alzari, P.M, Haouz, A, Danot, O. | | Deposit date: | 2018-09-12 | | Release date: | 2019-02-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Double autoinhibition mechanism of signal transduction ATPases with numerous domains (STAND) with a tetratricopeptide repeat sensor.
Nucleic Acids Res., 47, 2019
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4O1E
 | | Structure of a methyltransferase component in complex with MTHF involved in O-demethylation | | Descriptor: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Dihydropteroate synthase DHPS | | Authors: | Sjuts, H, Dunstan, M.S, Fisher, K, Leys, D. | | Deposit date: | 2013-12-15 | | Release date: | 2015-01-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structures of the methyltransferase component of Desulfitobacterium hafniense DCB-2 O-demethylase shed light on methyltetrahydrofolate formation
Acta Crystallogr.,Sect.D, 71, 2015
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3VPR
 | | Crystal Structure of a TetR Family Transcriptional Regulator PfmR from Thermus thermophilus HB8 | | Descriptor: | Transcriptional regulator, TetR family | | Authors: | Agari, Y, Sakamoto, K, Kuramitsu, S, Shinkai, A. | | Deposit date: | 2012-03-12 | | Release date: | 2012-07-11 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Transcriptional repression mediated by a TetR family protein, PfmR, from Thermus thermophilus HB8
J.Bacteriol., 2012
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5T7O
 | | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | | Authors: | Di Pisa, F, Dello Iacono, L, Bonucci, A, Mangani, S. | | Deposit date: | 2016-09-05 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE
To Be Published
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4A26
 | | The crystal structure of Leishmania major N5,N10- methylenetetrahydrofolate dehydrogenase/cyclohydrolase | | Descriptor: | CHLORIDE ION, PUTATIVE C-1-TETRAHYDROFOLATE SYNTHASE, CYTOPLASMIC | | Authors: | Eadsforth, T.C, Cameron, S, Hunter, W.N. | | Deposit date: | 2011-09-22 | | Release date: | 2011-10-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Crystal Structure of Leishmania Major N(5),N(10)-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase and Assessment of a Potential Drug Target.
Mol.Biochem.Parasitol., 181, 2012
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5UWF
 | | Crystal structure of human PDE10A in complex with inhibitor 16d | | Descriptor: | 9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Xu, R, Cedervall, E.P, Sridhar, V, Barker, R, Aertgeerts, K. | | Deposit date: | 2017-02-21 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
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3P9U
 | | Crystal structure of TetX2 from Bacteroides thetaiotaomicron with substrate analogue | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TetX2 protein | | Authors: | Walkiewicz, K, Davlieva, M, Sun, C, Lau, K, Shamoo, Y. | | Deposit date: | 2010-10-18 | | Release date: | 2011-04-27 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Crystal structure of Bacteroides thetaiotaomicron TetX2: a tetracycline degrading monooxygenase at 2.8 A resolution.
Proteins, 79, 2011
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3F3M
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4CTC
 | | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17- dihydro-1H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecin-15(10H)-one | | Descriptor: | (10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, ALK TYROSINE KINASE RECEPTOR | | Authors: | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | | Deposit date: | 2014-03-12 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
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5SUW
 | | Crystal Structure of ToxT from Vibrio Cholerae O395 bound to 3-(8-Methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(1R)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid, TCP pilus virulence regulatory protein | | Authors: | Kull, F.J, Kelley, A.R. | | Deposit date: | 2016-08-04 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of ToxT from Vibrio Cholerae O395 bound to 3-(8-Methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid
To Be Published
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6GIA
 | | Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant I107A | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase | | Authors: | Levy, C.W. | | Deposit date: | 2018-05-10 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.
Acs Catalysis, 8, 2018
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6GI7
 | | Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant L25I | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase | | Authors: | Levy, C.W. | | Deposit date: | 2018-05-10 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.
Acs Catalysis, 8, 2018
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6GI8
 | | Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant L25A | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase | | Authors: | Levy, C.W. | | Deposit date: | 2018-05-10 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.
Acs Catalysis, 8, 2018
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3D0B
 | | Crystal Structure of Benzamide Tetrahydro-4H-carbazol-4-one bound to Hsp90 | | Descriptor: | 2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide, Heat shock protein HSP 90-alpha | | Authors: | Barta, T.E, Veal, J.M, Huang, K.H, Hall, S.H. | | Deposit date: | 2008-05-01 | | Release date: | 2008-06-17 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery of benzamide tetrahydro-4H-carbazol-4-ones as novel small molecule inhibitors of Hsp90
BIOORG.MED.CHEM.LETT., 18, 2008
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6GI9
 | | Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant I107L | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase | | Authors: | Levy, C.W. | | Deposit date: | 2018-05-10 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.
Acs Catalysis, 8, 2018
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4XHA
 | | Crystal structure of Thosea asigna virus RNA-dependent RNA polymerase (RdRP) complexed with Lu3+ | | Descriptor: | GLYCEROL, LUTETIUM (III) ION, RNA-dependent RNA polymerase, ... | | Authors: | Ferrero, D.S, Buxaderas, M, Rodriguez, J.F, Verdaguer, N. | | Deposit date: | 2015-01-05 | | Release date: | 2015-11-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Structure of the RNA-Dependent RNA Polymerase of a Permutotetravirus Suggests a Link between Primer-Dependent and Primer-Independent Polymerases.
Plos Pathog., 11, 2015
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3P82
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3P80
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3P81
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3P7Y
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5C6L
 | | Crystal Structure of Gadolinium derivative of HEWL solved using intense Free-Electron Laser radiation | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | Authors: | Galli, L, Barends, T.R.M, Son, S.-K, White, T.A, Barty, A, Botha, S, Boutet, S, Caleman, C, Doak, R.B, Nanao, M.H, Nass, K, Shoeman, R.L, Timneanu, N, Santra, R, Schlichting, I, Chapman, H.N. | | Deposit date: | 2015-06-23 | | Release date: | 2015-07-08 | | Last modified: | 2018-11-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Towards phasing using high X-ray intensity.
Iucrj, 2, 2015
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3PPB
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3VUQ
 | | Crystal structure of TTHA0167, a transcriptional regulator, TetR/AcrR family from Thermus thermophilus HB8 | | Descriptor: | Transcriptional regulator (TetR/AcrR family) | | Authors: | Agari, Y, Sakamoto, K, Agari, K, Kuramitsu, S, Shinkai, A. | | Deposit date: | 2012-07-04 | | Release date: | 2013-02-27 | | Last modified: | 2013-12-25 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure and function of a TetR family transcriptional regulator, SbtR, from thermus thermophilus HB8
Proteins, 81, 2013
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5C6J
 | | Crystal Structure of Gadolinium derivative of HEWL solved using Free-Electron Laser radiation | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | Authors: | Galli, L, Barends, T.R.M, Son, S.-K, White, T.A, Barty, A, Botha, S, Boutet, S, Caleman, C, Doak, R.B, Nanao, M.H, Nass, K, Shoeman, R.L, Timneanu, N, Santra, R, Schlichting, I, Chapman, H.N. | | Deposit date: | 2015-06-23 | | Release date: | 2015-07-08 | | Last modified: | 2018-11-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Towards phasing using high X-ray intensity.
Iucrj, 2, 2015
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