4TS4
 
 | | Crystal structure of the hydrolase domain of 10-formyltetrahydrofolate dehydrogenase (wild-type) from zebrafish | | Descriptor: | 10-formyltetrahydrofolate dehydrogenase | | Authors: | Lin, C.C, Chen, C.J, Fu, T.F, Chuankhayan, P, Kao, T.T, Chang, W.N. | | Deposit date: | 2014-06-18 | | Release date: | 2015-04-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structures of the hydrolase domain of zebrafish 10-formyltetrahydrofolate dehydrogenase and its complexes reveal a complete set of key residues for hydrolysis and product inhibition.
Acta Crystallogr.,Sect.D, 71, 2015
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5UP0
 | | Crystal structure of human PDE1B catalytic domain in complex with inhibitor 3 (6-(4-chlorobenzyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one) | | Descriptor: | 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | | Authors: | Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K. | | Deposit date: | 2017-02-01 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
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3LS4
 | | Crystal Structure of Anti-tetrahydrocannabinol Fab Fragment in Complex with THC | | Descriptor: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, Heavy chain of antibody Fab fragment, Light chain of antibody Fab fragment | | Authors: | Niemi, M.H, Rouvinen, J. | | Deposit date: | 2010-02-12 | | Release date: | 2010-06-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A structural insight into the molecular recognition of a (-)-Delta9-tetrahydrocannabinol and the development of a sensitive, one-step, homogeneous immunocomplex-based assay for its detection
J.Mol.Biol., 400, 2010
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7CJL
 | | Metallo-Beta-Lactamase VIM-2 in complex with (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide | | Descriptor: | (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | Authors: | Yan, Y.-H, Chen, J, Zhan, Z, Yu, Z.-J, Li, G, Li, G.-B, Guo, L, Wu, Y. | | Deposit date: | 2020-07-11 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.789 Å) | | Cite: | Discovery of mercaptopropanamide-substituted aryl tetrazoles as new broad-spectrum metallo-beta-lactamase inhibitors.
Rsc Adv, 10, 2020
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3B6A
 | | Crystal structure of the Streptomyces coelicolor TetR family protein ActR in complex with actinorhodin | | Descriptor: | 2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid, ActR protein | | Authors: | Willems, A.R, Junop, M.S. | | Deposit date: | 2007-10-28 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Crystal structures of the Streptomyces coelicolor TetR-like protein ActR alone and in complex with actinorhodin or the actinorhodin biosynthetic precursor (S)-DNPA.
J.Mol.Biol., 376, 2008
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3ND5
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7ZC6
 | | Na+ - translocating ferredoxin: NAD+ reductase (Rnf) of C. tetanomorphum | | Descriptor: | FE (III) ION, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | | Authors: | Ermler, U, Vitt, S, Buckel, W. | | Deposit date: | 2022-03-25 | | Release date: | 2022-09-28 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (4.27 Å) | | Cite: | Purification and structural characterization of the Na + -translocating ferredoxin: NAD + reductase (Rnf) complex of Clostridium tetanomorphum.
Nat Commun, 13, 2022
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4GVR
 | | X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase | | Descriptor: | Methenyltetrahydromethanopterin cyclohydrolase | | Authors: | Upadhyay, V, Demmer, U, Warkentin, E, Moll, J, Shima, S, Ermler, U. | | Deposit date: | 2012-08-31 | | Release date: | 2012-10-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase.
Biochemistry, 51, 2012
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3PNB
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2Y7X
 | | The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs | | Descriptor: | 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J. | | Deposit date: | 2011-02-02 | | Release date: | 2011-03-16 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
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7CQY
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4ZGX
 | | Structure of aldosterone synthase (CYP11B2) in complex with (+)-(R)-N-(4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide | | Descriptor: | Cytochrome P450 11B2, mitochondrial, N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide, ... | | Authors: | Kuglstatter, A, Joseph, C. | | Deposit date: | 2015-04-24 | | Release date: | 2015-10-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors: In Vivo Evaluation in Rodents and Cynomolgus Monkeys.
J.Med.Chem., 58, 2015
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4LVX
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4KUM
 | | Structure of LSD1-CoREST-Tetrahydrofolate complex | | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Luka, Z, Pakhomova, S, Loukachevitch, L.V, Calcutt, M.W, Newcomer, M.E, Wagner, C. | | Deposit date: | 2013-05-22 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Crystal structure of the histone lysine specific demethylase LSD1 complexed with tetrahydrofolate.
Protein Sci., 23, 2014
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5BUE
 | | ERK2 complexed with N-benzylpyridone tetrahydroazaindazole | | Descriptor: | 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION | | Authors: | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | Deposit date: | 2015-06-03 | | Release date: | 2015-07-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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3RIK
 | | The acid beta-glucosidase active site exhibits plasticity in binding 3,4,5,6-tetrahydroxyazepane-based inhibitors: implications for pharmacological chaperone design for gaucher disease | | Descriptor: | (3S,4R,5R,6S)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, ... | | Authors: | Orwig, S.D, Lieberman, R.L. | | Deposit date: | 2011-04-13 | | Release date: | 2012-03-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Binding of 3,4,5,6-tetrahydroxyazepanes to the acid-beta-glucosidase active site: implications for pharmacological chaperone design for Gaucher disease
Biochemistry, 50, 2011
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3WFU
 | | Crystal structure of horse heart myoglobin reconstituted with cobalt(I) tetradehydrocorrin | | Descriptor: | (1R,19R) cobalt tetradehydrocorrin, (1S,19S) cobalt tetradehydrocorrin, Myoglobin, ... | | Authors: | Mizohata, E, Morita, Y, Oohora, K, Hirata, K, Ohbayashi, J, Inoue, T, Hisaeda, Y, Hayashi, T. | | Deposit date: | 2013-07-23 | | Release date: | 2014-12-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Co(II)/Co(I) reduction-induced axial histidine-flipping in myoglobin reconstituted with a cobalt tetradehydrocorrin as a methionine synthase model.
Chem.Commun.(Camb.), 50, 2014
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7BCZ
 | | Structure of the 4'-phosphopantetheinyl transferase PcpS from Pseudomonas aeruginosa | | Descriptor: | 4'-phosphopantetheinyl transferase EntD, COENZYME A, MAGNESIUM ION, ... | | Authors: | Carivenc, C, Mourey, L, Pedelacq, J.D. | | Deposit date: | 2020-12-21 | | Release date: | 2021-11-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
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3WFT
 | | Crystal structure of horse heart myoglobin reconstituted with cobalt(II) tetradehydrocorrin | | Descriptor: | (1R,19R) cobalt tetradehydrocorrin, (1S,19S) cobalt tetradehydrocorrin, GLYCEROL, ... | | Authors: | Mizohata, E, Morita, Y, Oohora, K, Hirata, K, Ohbayashi, J, Inoue, T, Hisaeda, Y, Hayashi, T. | | Deposit date: | 2013-07-23 | | Release date: | 2014-12-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Co(II)/Co(I) reduction-induced axial histidine-flipping in myoglobin reconstituted with a cobalt tetradehydrocorrin as a methionine synthase model.
Chem.Commun.(Camb.), 50, 2014
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5BUJ
 | | ERK2 complexed with a N-H tetrahydroazaindazole | | Descriptor: | 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | | Authors: | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | Deposit date: | 2015-06-03 | | Release date: | 2015-07-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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5BUI
 | | ERK2 complexed with 2-pyridiyl tetrahydroazaindazole | | Descriptor: | 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase 1, NICKEL (II) ION | | Authors: | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | Deposit date: | 2015-06-03 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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4A69
 | | Structure of HDAC3 bound to corepressor and inositol tetraphosphate | | Descriptor: | ACETATE ION, D-MYO INOSITOL 1,4,5,6 TETRAKISPHOSPHATE, GLYCEROL, ... | | Authors: | Watson, P.J, Fairall, L, Santos, G.M, Schwabe, J.W.R. | | Deposit date: | 2011-11-01 | | Release date: | 2012-01-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structure of Hdac3 Bound to Co-Repressor and Inositol Tetraphosphate.
Nature, 481, 2012
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3AJM
 | | Crystal structure of programmed cell death 10 in complex with inositol 1,3,4,5-tetrakisphosphate | | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Programmed cell death protein 10 | | Authors: | Ding, J, Wang, D.C. | | Deposit date: | 2010-06-09 | | Release date: | 2010-06-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of human programmed cell death 10 complexed with inositol-(1,3,4,5)-tetrakisphosphate: a novel adaptor protein involved in human cerebral cavernous malformation.
Biochem.Biophys.Res.Commun., 399, 2010
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3RIL
 | | The acid beta-glucosidase active site exhibits plasticity in binding 3,4,5,6-tetrahydroxyazepane-based inhibitors: implications for pharmacological chaperone design for gaucher disease | | Descriptor: | (3S,4R,5R,6S)-azepane-3,4,5,6-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, ... | | Authors: | Orwig, S.D, Lieberman, R.L. | | Deposit date: | 2011-04-13 | | Release date: | 2012-03-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Binding of 3,4,5,6-tetrahydroxyazepanes to the acid-beta-glucosidase active site: implications for pharmacological chaperone design for Gaucher disease
Biochemistry, 50, 2011
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3Q96
 | | B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor | | Descriptor: | (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Sintchak, M.D, Aertgeerts, K, Yano, J. | | Deposit date: | 2011-01-07 | | Release date: | 2011-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.
J.Med.Chem., 54, 2011
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