6XG5
| X-ray structure of Escherichia coli dihydrofolate reductase in complex with trimethoprim | Descriptor: | CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ... | Authors: | Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E. | Deposit date: | 2020-06-16 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A trimethoprim derivative impedes antibiotic resistance evolution. Nat Commun, 12, 2021
|
|
8OFF
| Structure of BARD1 ARD-BRCTs in complex with H2AKc15ub nucleosomes (Map1) | Descriptor: | BRCA1 associated RING domain 1, DNA (142-MER), Histone H2A type 1, ... | Authors: | Foglizzo, M, Burdett, H, Wilson, M.D, Zeqiraj, E. | Deposit date: | 2023-03-15 | Release date: | 2023-10-11 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | BRCA1-BARD1 combines multiple chromatin recognition modules to bridge nascent nucleosomes. Nucleic Acids Res., 51, 2023
|
|
6ZO8
| Minocycline binding to the deep binding pocket of AcrB-G621P | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
|
|
6ZO6
| Minocycline binding to the deep binding pocket of AcrB-G619P | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
|
|
8QPP
| Bacillus subtilis MutS2-collided disome complex (stalled 70S) | Descriptor: | 16S rRNA (1533-MER), 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Park, E, Mackens-Kiani, T, Berhane, R, Esser, H, Erdenebat, C, Burroughs, A.M, Berninghausen, O, Aravind, L, Beckmann, R, Green, R, Buskirk, A.R. | Deposit date: | 2023-10-02 | Release date: | 2023-12-27 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | B. subtilis MutS2 splits stalled ribosomes into subunits without mRNA cleavage. Embo J., 43, 2024
|
|
8R55
| Bacillus subtilis MutS2-collided disome complex (collided 70S) | Descriptor: | 16S rRNA (1533-MER), 23S RNA (2887-MER), 30S ribosomal protein S10, ... | Authors: | Park, E, Mackens-Kiani, T, Berhane, R, Esser, H, Erdenebat, C, Burroughs, A.M, Berninghausen, O, Aravind, L, Beckmann, R, Green, R, Buskirk, A.R. | Deposit date: | 2023-11-16 | Release date: | 2024-01-17 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | B. subtilis MutS2 splits stalled ribosomes into subunits without mRNA cleavage. Embo J., 43, 2024
|
|
6HTS
| Cryo-EM structure of the human INO80 complex bound to nucleosome | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | Authors: | Ayala, R, Willhoft, O, Aramayo, R.J, Wilkinson, M, McCormack, E.A, Ocloo, L, Wigley, D.B, Zhang, X. | Deposit date: | 2018-10-04 | Release date: | 2018-11-07 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structure and regulation of the human INO80-nucleosome complex. Nature, 556, 2018
|
|
7ZRA
| Crystal structure of E.coli LexA in complex with nanobody NbSOS1(Nb14497) | Descriptor: | 1,2-ETHANEDIOL, LexA repressor, Nanobody NbSOS1 (Nb14497) | Authors: | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | Deposit date: | 2022-05-04 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway. Structure, 30, 2022
|
|
2NUA
| C123aV Mutant of E. coli Succinyl-CoA Synthetase | Descriptor: | COENZYME A, PHOSPHATE ION, SULFATE ION, ... | Authors: | Fraser, M.E. | Deposit date: | 2006-11-08 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Participation of Cys 123alpha of Escherichia coli Succinyl-CoA Synthetase in Catalysis ACTA CRYSTALLOGR.,SECT.D, 63, 2007
|
|
2NU9
| |
8SXB
| |
7TZK
| EPS8 SH3 Domain with NleH1 PxxDY Motif | Descriptor: | Epidermal growth factor receptor kinase substrate 8, T3SS secreted effector NleH homolog | Authors: | Grishin, A.M, Cygler, M. | Deposit date: | 2022-02-15 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Targeting of microvillus protein Eps8 by the NleH effector kinases from enteropathogenic E. coli Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
8T4O
| Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor with no glutamate | Descriptor: | 4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-06-09 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
|
|
8SBQ
| |
5J1T
| TorsinAdeltaE-LULL1 complex, H. sapiens, bound to VHH-BS2 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Demircioglu, F.E, Schwartz, T.U. | Deposit date: | 2016-03-29 | Release date: | 2016-08-17 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | Structures of TorsinA and its disease-mutant complexed with an activator reveal the molecular basis for primary dystonia. Elife, 5, 2016
|
|
7MD2
| The F1 region of ammocidin-bound Saccharomyces cerevisiae ATP synthase | Descriptor: | (3~{E},5~{Z},7~{E},9~{R},10~{S},11~{E},13~{E},15~{E},17~{R},18~{S},20~{S})-20-[(1~{R})-1-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},4~{S},5~{S},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-3-methoxy-6-(3-methoxypropyl)-5-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethyl]-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-[(2~{R},3~{S},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha, ... | Authors: | Guo, H, Rubinstein, J.L. | Deposit date: | 2021-04-03 | Release date: | 2021-08-11 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A Family of Glycosylated Macrolides Selectively Target Energetic Vulnerabilities in Leukemia Biorxiv, 2021
|
|
7MD3
| The F1 region of apoptolidin-bound Saccharomyces cerevisiae ATP synthase | Descriptor: | (3~{E},5~{E},7~{E},9~{R},10~{R},11~{E},13~{E},17~{S},18~{S},20~{S})-18-methoxy-20-[(~{R})-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(2~{R})-3-methoxy-2-[(2~{R},4~{S},5~{S},6~{S})-5-[(2~{S},4~{R},5~{R},6~{R})-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-propyl]-3,5-dimethyl-2,4-bis(oxidanyl)oxan-2-yl]-oxidanyl-methyl]-10-[(2~{R},3~{S},4~{S},5~{R},6~{S})-5-methoxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,5,7,9,13-pentamethyl-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha, ... | Authors: | Guo, H, Rubinstein, J.L. | Deposit date: | 2021-04-03 | Release date: | 2021-08-11 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A Family of Glycosylated Macrolides Selectively Target Energetic Vulnerabilities in Leukemia Biorxiv, 2021
|
|
8PZ8
| crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 54 | Descriptor: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | Authors: | Rochel, N. | Deposit date: | 2023-07-27 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor. Eur.J.Med.Chem., 271, 2024
|
|
5OSK
| Tubulin-7j complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2,5-Dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1H)-one, CALCIUM ION, ... | Authors: | Menchon, G, Prota, A.E, Steinmetz, M.O, Potter, B.V.L. | Deposit date: | 2017-08-17 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Quinazolinone-Based Anticancer Agents: Synthesis, Antiproliferative SAR, Antitubulin Activity, and Tubulin Co-crystal Structure. J. Med. Chem., 61, 2018
|
|
6UWI
| Crystal structure of the Clostridium difficile translocase CDTb | Descriptor: | ADP-ribosyltransferase binding component, CALCIUM ION | Authors: | Pozharski, E. | Deposit date: | 2019-11-05 | Release date: | 2020-01-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
4U4S
| Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM25 at 1.90 A resolution. | Descriptor: | 4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ... | Authors: | Noerholm, A.B, Deva, T, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2014-07-24 | Release date: | 2014-11-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides. J.Med.Chem., 57, 2014
|
|
4U4X
| Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM37 at 1.56 A resolution. | Descriptor: | 4-ethyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Noerholm, A.B, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2014-07-24 | Release date: | 2014-11-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides. J.Med.Chem., 57, 2014
|
|
2NU8
| C123aT Mutant of E. coli Succinyl-CoA Synthetase | Descriptor: | COENZYME A, GLYCEROL, PHOSPHATE ION, ... | Authors: | Fraser, M.E. | Deposit date: | 2006-11-08 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Participation of Cys 123alpha of Escherichia coli Succinyl-CoA Synthetase in Catalysis ACTA CRYSTALLOGR.,SECT.D, 63, 2007
|
|
6V3A
| |
6V5T
| |