2FMO
| Ala177Val mutant of E. coli Methylenetetrahydrofolate Reductase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Pejchal, R, Campbell, E, Guenther, B.D, Lennon, B.W, Matthews, R.G, Ludwig, M.L. | Deposit date: | 2006-01-09 | Release date: | 2006-04-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Perturbations in the Ala -> Val Polymorphism of Methylenetetrahydrofolate Reductase: How Binding of Folates May Protect against Inactivation Biochemistry, 45, 2006
|
|
8CLR
| Integrated NMR/MD structure determination of a dynamic and thermodynamically stable CUUG RNA tetraloop | Descriptor: | RNA hairpin with CUUG tetraloop | Authors: | Oxenfarth, A, Kuemmerer, F, Bottaro, S, Schnieders, R, Pinter, G, Jonker, H.R.A, Fuertig, B, Richter, C, Blackledge, M, Lindorff-Larsen, K, Schwalbe, H. | Deposit date: | 2023-02-17 | Release date: | 2023-07-19 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Integrated NMR/Molecular Dynamics Determination of the Ensemble Conformation of a Thermodynamically Stable CUUG RNA Tetraloop. J.Am.Chem.Soc., 145, 2023
|
|
3KXH
| Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor (2-dymethylammino-4,5,6,7-tetrabromobenzoimidazol-1yl-acetic acid (K66) | Descriptor: | Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, [4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | Deposit date: | 2009-12-03 | Release date: | 2010-11-17 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update. Curr Top Med Chem, 11, 2011
|
|
3KXN
| Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor tetraiodobenzimidazole (K88) | Descriptor: | 4,5,6,7-tetraiodo-1H-benzimidazole, Casein kinase II subunit alpha | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | Deposit date: | 2009-12-03 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update. Curr Top Med Chem, 11, 2011
|
|
1FTR
| |
6OMK
| |
6MR9
| E. coli DHFR complex with a reaction intermediate | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, Dihydrofolate reductase, ... | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | Deposit date: | 2018-10-12 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate. Struct Dyn., 6, 2019
|
|
6MT8
| E. coli DHFR complex modeled with two ligand states | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, DIHYDROFOLIC ACID, ... | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | Deposit date: | 2018-10-19 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate. Struct Dyn., 6, 2019
|
|
6MTH
| E. coli DHFR complex modeled with three ligand states | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, DIHYDROFOLIC ACID, ... | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | Deposit date: | 2018-10-19 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate. Struct Dyn., 6, 2019
|
|
8FI4
| |
8FI6
| |
8FI5
| |
6PVW
| RNase A in complex with cp4pA | Descriptor: | 2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone, 5'-O-[(R)-hydroxy{[(4R,8S)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine, Ribonuclease pancreatic | Authors: | Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T. | Deposit date: | 2019-07-21 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A. J.Am.Chem.Soc., 141, 2019
|
|
5OVY
| Crystal structure of MAB_4384 tetR | Descriptor: | Putative transcriptional regulator, TetR family | Authors: | Richard, M, Gutierrez, A.V, Viljoen, A, Ghigo, E, Blaise, M, Kremer, L. | Deposit date: | 2017-08-30 | Release date: | 2018-03-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic and Structural Insights Into the Unique TetR-Dependent Regulation of a Drug Efflux Pump inMycobacterium abscessus. Front Microbiol, 9, 2018
|
|
5J63
| Crystal Structure of the N-terminal N-formyltransferase Domain (residues 1-306) of Escherichia coli Arna in Complex with UDP-Ara4N and Folinic Acid | Descriptor: | (2R,3R,4S,5S)-5-amino-3,4-dihydroxytetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, (4aS,6S)-2-amino-6-{(E)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4aH)-carbaldehyde, Bifunctional polymyxin resistance protein ArnA | Authors: | Thoden, J.B, Genthe, N.A, Holden, H.M. | Deposit date: | 2016-04-04 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Escherichia coli ArnA N-formyltransferase domain in complex with N(5) -formyltetrahydrofolate and UDP-Ara4N. Protein Sci., 25, 2016
|
|
5MSA
| Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2017-01-02 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of human carbonic anhydrase
isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide To be published
|
|
1A8N
| SOLUTION STRUCTURE OF A NA+ CATION STABILIZED DNA QUADRUPLEX CONTAINING G.G.G.G AND G.C.G.C TETRADS FORMED BY G-G-G-C REPEATS OBSERVED IN AAV AND HUMAN CHROMOSOME 19, NMR, 8 STRUCTURES | Descriptor: | DNA QUADRUPLEX CONTAINING G.G.G.G AND G.C.G.C TETRADS | Authors: | Kettani, A, Bouaziz, S, Gorin, A, Zhao, H, Jones, R, Patel, D.J. | Deposit date: | 1998-03-27 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a Na cation stabilized DNA quadruplex containing G.G.G.G and G.C.G.C tetrads formed by G-G-G-C repeats observed in adeno-associated viral DNA. J.Mol.Biol., 282, 1998
|
|
8GZ2
| Cryo-EM structure of human NaV1.6/beta1/beta2-4,9-anhydro-tetrodotoxin | Descriptor: | (1R,2S,3S,4R,5R,9S,11S,12S,14R)-7-amino-2,4,12-trihydroxy-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-en-8-ium (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 8 subunit alpha, ... | Authors: | Li, Y, Jiang, D. | Deposit date: | 2022-09-24 | Release date: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of human Na V 1.6 channel reveals Na + selectivity and pore blockade by 4,9-anhydro-tetrodotoxin. Nat Commun, 14, 2023
|
|
7LRF
| Netrin-1 in complex with SOS | Descriptor: | 1,2-ETHANEDIOL, 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Gupta, M, McDougall, M, Torres, A.M, Stetefeld, J. | Deposit date: | 2021-02-16 | Release date: | 2022-02-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | The dynamic nature of netrin-1 and the structural basis for glycosaminoglycan fragment-induced filament formation. Nat Commun, 14, 2023
|
|
7QPZ
| |
6ZEA
| Strictosidine Synthase from Catharanthus roseus in complex with racemic 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline | Descriptor: | (1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, (1~{S})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, 1,2-ETHANEDIOL, ... | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2020-06-16 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Strictosidine Synthase from Catharanthus roseus in complex with racemic 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline To Be Published
|
|
6WPE
| HUMAN IDO1 IN COMPLEX WITH COMPOUND 4 | Descriptor: | 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A. | Deposit date: | 2020-04-27 | Release date: | 2021-03-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
|
|
6H0W
| Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS035 | Descriptor: | (2~{R})-3-phenyl-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS035 To be published
|
|
1B66
| 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE | Descriptor: | 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE, BIOPTERIN, ZINC ION | Authors: | Ploom, T, Thoeny, B, Yim, J, Lee, S, Nar, H, Leimbacher, W, Huber, R, Richardson, J, Auerbach, G. | Deposit date: | 1999-01-20 | Release date: | 1999-04-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic and kinetic investigations on the mechanism of 6-pyruvoyl tetrahydropterin synthase. J.Mol.Biol., 286, 1999
|
|
6GZR
| Solution NMR structure of the tetramethylrhodamine (TMR) aptamer 3 in complex with 5-TAMRA | Descriptor: | 5-carboxy methylrhodamine, tetramethylrhodamine aptamer | Authors: | Duchardt-Ferner, E, Ohlenschlager, O, Kreutz, C.R, Wohnert, J. | Deposit date: | 2018-07-05 | Release date: | 2019-07-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of an RNA aptamer in complex with the fluorophore tetramethylrhodamine. Nucleic Acids Res., 48, 2020
|
|