8V4Q
 
 | | Myxococcus xanthus EncA 3xHis pore mutant with tetrahedral symmetry | | Descriptor: | Type 1 encapsulin shell protein EncA | | Authors: | Szyszka, T.N, Andreas, M.P, Lie, F, Miller, L.M, Adamson, L.S.R, Fatehi, F, Twarock, R, Draper, B.E, Jarrold, M.F, Giessen, T.W, Lau, Y.H. | | Deposit date: | 2023-11-29 | | Release date: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Point mutation in a virus-like capsid drives symmetry reduction to form tetrahedral cages.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8JH1
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6CKT
 | | Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Legionella pneumophila Philadelphia 1 | | Descriptor: | 1,2-ETHANEDIOL, 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2018-02-28 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Legionella pneumophila Philadelphia 1
to be published
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1D6D
 | | SOLUTION DNA STRUCTURE CONTAINING (A-A)-T TRIADS INTERDIGITATED BETWEEN A-T BASE PAIRS AND GGGG TETRADS; NMR, 8 STRUCT. | | Descriptor: | 5'-D(*AP*AP*GP*GP*TP*TP*TP*TP*AP*AP*GP*G)-3' | | Authors: | Kuryavyi, V.V, Kettani, A, Wang, W, Jones, R, Patel, D.J. | | Deposit date: | 1999-10-13 | | Release date: | 2000-01-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A diamond-shaped zipper-like DNA architecture containing triads sandwiched between mismatches and tetrads.
J.Mol.Biol., 295, 2000
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3KNW
 | | Crystal structure of a putative transcriptional regulator (TetR/AcrR family member) from putative transcriptional regulator (TetR/AcrR family) | | Descriptor: | 1,2-ETHANEDIOL, Putative transcriptional regulator (TetR/AcrR family) | | Authors: | Nocek, B, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-11-12 | | Release date: | 2010-01-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of a putative transcriptional regulator (TetR/AcrR family member) from putative transcriptional regulator (TetR/AcrR family)
To be Published
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7CZJ
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5W0I
 | | CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | | Descriptor: | 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein, DIMETHYL SULFOXIDE, ... | | Authors: | Murray, J.M. | | Deposit date: | 2017-05-30 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
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6CUL
 | | PvdF of pyoverdin biosynthesis is a structurally unique N10-formyltetrahydrofolate-dependent formyltransferase | | Descriptor: | CITRIC ACID, N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid, Pyoverdine synthetase F | | Authors: | Kenjic, N, Hoag, M.R, Moraski, G.C, Caperelli, C.A, Moran, G.R, Lamb, A.L. | | Deposit date: | 2018-03-26 | | Release date: | 2019-02-06 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | PvdF of pyoverdin biosynthesis is a structurally unique N10-formyltetrahydrofolate-dependent formyltransferase.
Arch. Biochem. Biophys., 664, 2019
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5TKT
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE | | Descriptor: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2, ... | | Authors: | Sheriff, S. | | Deposit date: | 2016-10-07 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
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3HPH
 | | Closed tetramer of Visna virus integrase (residues 1-219) in complex with LEDGF IBD | | Descriptor: | GLYCEROL, Integrase, PC4 and SFRS1-interacting protein, ... | | Authors: | Hare, S, Wang, J, Cherepanov, P. | | Deposit date: | 2009-06-04 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural basis for functional tetramerization of lentiviral integrase
Plos Pathog., 5, 2009
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5DSV
 | | Crystal structure of human proteasome alpha7 tetradecamer | | Descriptor: | Proteasome subunit alpha type-3 | | Authors: | Satoh, T, Thammaporn, R, Seetaha, S, Kato, K. | | Deposit date: | 2015-09-17 | | Release date: | 2015-12-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | Disassembly of the self-assembled, double-ring structure of proteasome alpha 7 homo-tetradecamer by alpha 6
Sci Rep, 5, 2015
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3HMV
 | | Catalytic domain of human phosphodiesterase 4B2B in complex with a tetrahydrobenzothiophene inhibitor | | Descriptor: | (6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Somers, D.O, Neu, M. | | Deposit date: | 2009-05-29 | | Release date: | 2010-06-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Identification of PDE4B Over 4D subtype-selective inhibitors revealing an unprecedented binding mode
Bioorg.Med.Chem., 17, 2009
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8THR
 | | Structure of the human vesicular monoamine transporter 2 (VMAT2) bound to tetrabenazine in an occluded conformation | | Descriptor: | (3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one, fluorescent protein mVenus,Synaptic vesicular amine transporter,GFP nano body,Synaptic vesicular amine transporter,Synaptic vesicular amine transporter | | Authors: | Dalton, M.P, Coleman, J.A. | | Deposit date: | 2023-07-17 | | Release date: | 2023-10-25 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Structural mechanisms for VMAT2 inhibition by tetrabenazine.
Elife, 12, 2024
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5E2O
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3HZQ
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7S76
 | | HBV CAPSID Y132A WITH COMPOUND 10b AT 2.5A RESOLUTION | | Descriptor: | (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate, Capsid protein | | Authors: | Olland, A.M, Suto, R.K. | | Deposit date: | 2021-09-15 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The identification of highly efficacious functionalised tetrahydrocyclopenta[ c ]pyrroles as inhibitors of HBV viral replication through modulation of HBV capsid assembly.
Rsc Med Chem, 13, 2022
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3M0N
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1BE1
 | | GLUTAMATE MUTASE (B12-BINDING SUBUNIT), NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | GLUTAMATE MUTASE | | Authors: | Tollinger, M, Konrat, R, Hilbert, B.H, Marsh, E.N.G, Kraeutler, B. | | Deposit date: | 1998-05-19 | | Release date: | 1998-08-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | How a protein prepares for B12 binding: structure and dynamics of the B12-binding subunit of glutamate mutase from Clostridium tetanomorphum
Structure, 6, 1998
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7DF6
 | | Mouse Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor | | Descriptor: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, Galectin-3 | | Authors: | Ghosh, K, Kumar, A. | | Deposit date: | 2020-11-06 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors.
J.Med.Chem., 64, 2021
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7DF5
 | | Human Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor | | Descriptor: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, CHLORIDE ION, Galectin-3, ... | | Authors: | Ghosh, K, Kumar, A. | | Deposit date: | 2020-11-06 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors.
J.Med.Chem., 64, 2021
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8OXE
 | | Inositol 1,3,4-trisphosphate 5/6-kinase 1 from Solanum tuberosum (StITPK1) in complex with ADP/Mg2+ | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-tetrakisphosphate 1-kinase, MAGNESIUM ION | | Authors: | Faba-Rodriguez, R, Li, A.W.H, Brearley, C.A, Hemmings, A.M. | | Deposit date: | 2023-05-02 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal Structure and Enzymology of Solanum tuberosum Inositol Tris/Tetrakisphosphate Kinase 1 ( St ITPK1).
Biochemistry, 63, 2024
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3WDP
 | | Structural analysis of a beta-glucosidase mutant derived from a hyperthermophilic tetrameric structure | | Descriptor: | Beta-glucosidase, GLYCEROL, PHOSPHATE ION | | Authors: | Nakabayashi, M, Kataoka, M, Ishikawa, K. | | Deposit date: | 2013-06-19 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural analysis of beta-glucosidase mutants derived from a hyperthermophilic tetrameric structure.
Acta Crystallogr.,Sect.D, 70, 2014
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4L64
 | | Crystal structure of the Candida albicans Methionine Synthase in complex with 5-Methyl-Tetrahydrofolate | | Descriptor: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, ZINC ION | | Authors: | Ubhi, D, Robertus, J.D. | | Deposit date: | 2013-06-11 | | Release date: | 2014-03-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural analysis of a fungal methionine synthase with substrates and inhibitors.
J.Mol.Biol., 426, 2014
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5TZ1
 | | Crystal structure of sterol 14-alpha demethylase (CYP51) from Candida albicans in complex with the tetrazole-based antifungal drug candidate VT1161 (VT1) | | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | | Authors: | Hargrove, T, Wawrzak, Z, Lepesheva, G. | | Deposit date: | 2016-11-21 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analyses of Candida albicans sterol 14 alpha-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis.
J. Biol. Chem., 292, 2017
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4L7C
 | | Structure of keap1 kelch domain with 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione | | Descriptor: | 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione, ACETATE ION, Kelch-like ECH-associated protein 1 | | Authors: | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | | Deposit date: | 2013-06-13 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
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