6V8K
| |
7B2I
| Heterodimeric tRNA-Guanine Transglycosylase from mouse | Descriptor: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ... | Authors: | Sebastiani, M, Heine, A, Reuter, K. | Deposit date: | 2020-11-27 | Release date: | 2021-12-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase. Acs Chem.Biol., 17, 2022
|
|
8H7E
| Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) at 2.0 angstrom resolution | Descriptor: | ACETATE ION, De novo ferric enterobactin esterase Syn-F4 | Authors: | Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R. | Deposit date: | 2022-10-19 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
6PDM
| Crystal structure of Human Protein Arginine Methyltransferase 9 (PRMT9) | Descriptor: | Protein arginine N-methyltransferase 9, UNKNOWN ATOM OR ION | Authors: | Halabelian, L, Tempel, W, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-19 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of Human Protein Arginine Methyltransferase 9 (PRMT9) To Be Published
|
|
6P8C
| 2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus | Descriptor: | 2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase, CHLORIDE ION, GLYCEROL, ... | Authors: | Carbone, V, Schofield, L.R, Hannus, I, Sutherland-Smith, A.J, Ronimus, R.S. | Deposit date: | 2019-06-06 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The Crystal Structure of 2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus To Be Published
|
|
5MTP
| Crystal structure of M. tuberculosis InhA inhibited by PT514 | Descriptor: | 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | Deposit date: | 2017-01-10 | Release date: | 2017-02-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
|
|
8H7C
| Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) - Pt derivative | Descriptor: | ACETATE ION, CHLORIDE ION, De novo ferric enterobactin esterase Syn-F4, ... | Authors: | Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R. | Deposit date: | 2022-10-19 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7T7K
| Structure of SPAC806.04c protein from fission yeast bound to Co2+ | Descriptor: | CHLORIDE ION, COBALT (II) ION, Damage-control phosphatase SPAC806.04c, ... | Authors: | Jacewicz, A, Sanchez, A.M, Shuman, S. | Deposit date: | 2021-12-15 | Release date: | 2022-06-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate. J.Biol.Chem., 298, 2022
|
|
8H7D
| Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) | Descriptor: | ACETATE ION, De novo ferric enterobactin esterase Syn-F4 | Authors: | Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R. | Deposit date: | 2022-10-19 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
5JZB
| Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide | Descriptor: | 3,5-dichlorobenzene-1-sulfonamide, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, PHOSPHATE ION | Authors: | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | Deposit date: | 2016-05-16 | Release date: | 2017-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach. Br. J. Pharmacol., 174, 2017
|
|
6P90
| Crystal structure of PaDHDPS2-H56Q mutant | Descriptor: | 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, GLYCEROL | Authors: | Impey, R.E, Panjikar, S, Hall, C.J, Bock, L.J, Sutton, J.M, Perugini, M.A, Soares da Costa, T.P. | Deposit date: | 2019-06-08 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of two dihydrodipicolinate synthase isoforms from Pseudomonas aeruginosa that differ in allosteric regulation. Febs J., 287, 2020
|
|
6VEI
| Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-01-02 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
|
|
6N50
| Metabotropic Glutamate Receptor 5 Extracellular Domain in Complex with Nb43 and L-quisqualic acid | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ... | Authors: | Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Skiniotis, G, Mathiesen, J.M, Kobilka, B.K. | Deposit date: | 2018-11-20 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.751 Å) | Cite: | Structural insights into the activation of metabotropic glutamate receptors. Nature, 566, 2019
|
|
6SCZ
| Mycobacterium tuberculosis alanine racemase inhibited by DCS | Descriptor: | (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | de Chiara, C, Purkiss, A, Prosser, G, Homsak, M, de Carvalho, L.P.S. | Deposit date: | 2019-07-26 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | D-Cycloserine destruction by alanine racemase and the limit of irreversible inhibition. Nat.Chem.Biol., 16, 2020
|
|
6VFX
| ClpXP from Neisseria meningitidis - Conformation B | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ... | Authors: | Ripstein, Z.A, Vahidi, S, Houry, W.A, Rubinstein, J.L, Kay, L.E. | Deposit date: | 2020-01-06 | Release date: | 2020-01-22 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | A processive rotary mechanism couples substrate unfolding and proteolysis in the ClpXP degradation machinery. Elife, 9, 2020
|
|
5MWU
| Crystal structure of the periplasmic nickel-binding protein NikA from Escherichia coli in complex with Ru(bpza)(CO)2Cl | Descriptor: | ACETATE ION, CARBON MONOXIDE, CHLORIDE ION, ... | Authors: | Cavazza, C, Lopez, S, Rondot, L, Iannello, M, Boeri-Erba, E, Burzlaff, N, Strinitz, F, Jorge-Robin, A, Marchi-Delapierre, C, Menage, S. | Deposit date: | 2017-01-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Efficient conversion of alkenes to chlorohydrins by a Ru-based artificial enzyme To Be Published
|
|
8HQC
| Structure of a GPCR-G protein in complex with a natural peptide agonist | Descriptor: | Antibody fragment, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ... | Authors: | Saha, S, Maharana, J, Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | Deposit date: | 2022-12-13 | Release date: | 2023-10-18 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.89 Å) | Cite: | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
|
|
6N93
| Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-oxa(dethia)-CoA | Descriptor: | (2E)-2-(hydroxyimino)propanoic acid, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ... | Authors: | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | Deposit date: | 2018-11-30 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies. J. Am. Chem. Soc., 141, 2019
|
|
8TNS
| |
7AWV
| Azoreductase (AzoRo) from Rhodococcus opacus 1CP | Descriptor: | DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase, ... | Authors: | Bento, I, Ngo, A, Qi, J, Juric, C, Tischler, D. | Deposit date: | 2020-11-09 | Release date: | 2022-02-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of molecular basis that underlie enzymatic specificity of AzoRo from Rhodococcus opacus 1CP: A potential NADH:quinone oxidoreductase. Arch.Biochem.Biophys., 717, 2022
|
|
8CGW
| Insulin-regulated aminopeptidase (IRAP) in complex with an allosteric benzopyran-based inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mpakali, A, Stratikos, E, Giastas, P. | Deposit date: | 2023-02-06 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Mechanisms of Allosteric Inhibition of Insulin-Regulated Aminopeptidase. J.Mol.Biol., 436, 2024
|
|
5MPW
| Crystal structure of Arabidopsis thaliana RNA editing factor MORF1 | Descriptor: | BROMIDE ION, Multiple organellar RNA editing factor 1, mitochondrial, ... | Authors: | Haag, S, Schindler, M, Berndt, L, Brennicke, A, Takenaka, M, Weber, G. | Deposit date: | 2016-12-19 | Release date: | 2017-02-22 | Last modified: | 2017-12-27 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Crystal structures of the Arabidopsis thaliana organellar RNA editing factors MORF1 and MORF9. Nucleic Acids Res., 45, 2017
|
|
4Y7M
| T6SS protein TssM C-terminal domain (835-1129) from EAEC | Descriptor: | Hi113 protein, SULFATE ION, Type VI secretion protein IcmF | Authors: | Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C. | Deposit date: | 2015-02-15 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Biogenesis and structure of a type VI secretion membrane core complex. Nature, 523, 2015
|
|
7TA6
| Trimer-to-Monomer Disruption of Tumor Necrosis Factor-alpha (TNF-alpha) by unnatural alpha/beta-peptide-1 | Descriptor: | 1,2-ETHANEDIOL, AMINO GROUP, Alpha/Beta-peptide-1, ... | Authors: | Niu, J, Bingman, C.A, Gellman, S.H. | Deposit date: | 2021-12-20 | Release date: | 2022-06-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Trimer-to-Monomer Disruption Mechanism for a Potent, Protease-Resistant Antagonist of Tumor Necrosis Factor-alpha Signaling. J.Am.Chem.Soc., 144, 2022
|
|
6MR4
| Crystal structure of the Sth1 bromodomain from S.cerevisiae | Descriptor: | Nuclear protein STH1/NPS1 | Authors: | Seo, H.S, Hashimoto, H, Krolak, A, Debler, E.W, Blus, B.J. | Deposit date: | 2018-10-11 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Substrate Affinity and Specificity of the ScSth1p Bromodomain Are Fine-Tuned for Versatile Histone Recognition. Structure, 27, 2019
|
|