6UNJ
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2019-10-12 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg.Med.Chem., 28, 2020
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2CIB
| High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors | Descriptor: | (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R. | Deposit date: | 2006-03-17 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography Antimicrob.Agents Chemother., 51, 2007
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1Y1Y
| RNA Polymerase II-TFIIS-DNA/RNA complex | Descriptor: | 5'-D(P*TP*AP*CP*GP*CP*CP*T)-3', 5'-R(P*AP*GP*GP*C)-3', DNA-directed RNA polymerase II 13.6 kDa polypeptide, ... | Authors: | Cramer, P, Kettenberger, H, Armache, K.-J. | Deposit date: | 2004-11-19 | Release date: | 2004-12-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Complete RNA polymerase II elongation complex structure and its interactions with NTP and TFIIS. Mol.Cell, 16, 2004
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1Y77
| Complete RNA Polymerase II elongation complex with substrate analogue GMPCPP | Descriptor: | 5'-D(*AP*AP*GP*TP*AP*CP*T)-3', 5'-D(P*AP*GP*TP*AP*CP*TP*TP*AP*CP*T*CP*GP*CP*CP*TP*GP*GP*TP*CP*TP*G)-3', 5'-R(*AP*AP*GP*AP*CP*CP*AP*GP*GP*C)-3', ... | Authors: | Kettenberger, H, Armache, K.-J, Cramer, P. | Deposit date: | 2004-12-08 | Release date: | 2005-01-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Complete RNA Polymerase II Elongation Complex Structure and Its Interactions with NTP and TFIIS Mol.Cell, 16, 2004
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6HLQ
| Yeast RNA polymerase I* elongation complex bound to nucleotide analog GMPCPP | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Tafur, L, Sadian, Y, Weis, F, Muller, C.W. | Deposit date: | 2018-09-11 | Release date: | 2019-04-03 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | The cryo-EM structure of a 12-subunit variant of RNA polymerase I reveals dissociation of the A49-A34.5 heterodimer and rearrangement of subunit A12.2. Elife, 8, 2019
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7OTC
| Cryo-EM structure of an Escherichia coli 70S ribosome in complex with elongation factor G and the antibiotic Argyrin B | Descriptor: | 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 23S ribosomal RNA, ... | Authors: | Wieland, M, Koller, T.O, Wilson, D.N. | Deposit date: | 2021-06-10 | Release date: | 2022-05-11 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | The cyclic octapeptide antibiotic argyrin B inhibits translation by trapping EF-G on the ribosome during translocation. Proc.Natl.Acad.Sci.USA, 119, 2022
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6I1P
| Respiratory complex I from Thermus thermophilus with bound NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. | Deposit date: | 2018-10-29 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.207 Å) | Cite: | Key role of quinone in the mechanism of respiratory complex I. Nat Commun, 11, 2020
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8RBX
| Structure of Integrator-PP2A bound to a paused RNA polymerase II-DSIF-NELF-nucleosome complex | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ... | Authors: | Fianu, I, Ochmann, M, Walshe, J.L, Cramer, P. | Deposit date: | 2023-12-05 | Release date: | 2024-02-07 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis of Integrator-dependent RNA polymerase II termination. Nature, 629, 2024
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7PBW
| Cryo-EM structure of light harvesting complex 2 from Rba. sphaeroides. | Descriptor: | BACTERIOCHLOROPHYLL A, CALCIUM ION, LAURYL DIMETHYLAMINE-N-OXIDE, ... | Authors: | Qian, P, Swainsbury, D.J.K, Croll, T.I, Castro-Hartmann, P, Sader, K, Divitini, G, Hunter, C.N. | Deposit date: | 2021-08-02 | Release date: | 2021-11-24 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Cryo-EM Structure of the Rhodobacter sphaeroides Light-Harvesting 2 Complex at 2.1 angstrom. Biochemistry, 60, 2021
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6HLR
| Yeast RNA polymerase I elongation complex bound to nucleotide analog GMPCPP (core focused) | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Tafur, L, Sadian, Y, Weis, F, Muller, C.W. | Deposit date: | 2018-09-11 | Release date: | 2019-04-03 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | The cryo-EM structure of a 12-subunit variant of RNA polymerase I reveals dissociation of the A49-A34.5 heterodimer and rearrangement of subunit A12.2. Elife, 8, 2019
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6FRK
| Structure of a prehandover mammalian ribosomal SRP and SRP receptor targeting complex | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Kobayashi, K, Jomaa, A, Ban, N. | Deposit date: | 2018-02-16 | Release date: | 2018-03-28 | Last modified: | 2018-05-02 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of a prehandover mammalian ribosomal SRP·SRP receptor targeting complex. Science, 360, 2018
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6I0D
| Respiratory complex I from Thermus thermophilus with bound Decyl-Ubiquinone | Descriptor: | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. | Deposit date: | 2018-10-25 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Key role of quinone in the mechanism of respiratory complex I. Nat Commun, 11, 2020
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3J0K
| Orientation of RNA polymerase II within the human VP16-Mediator-pol II-TFIIF assembly | Descriptor: | DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 140 kDa polypeptide, DNA-directed RNA polymerase II 19 kDa polypeptide, ... | Authors: | Bernecky, C, Grob, P, Ebmeier, C.C, Nogales, E, Taatjes, D.J. | Deposit date: | 2011-10-04 | Release date: | 2011-10-19 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (36 Å) | Cite: | Molecular architecture of the human Mediator-RNA polymerase II-TFIIF assembly. Plos Biol., 9, 2011
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2NVQ
| RNA Polymerase II Elongation Complex in 150 mM Mg+2 with 2'dUTP | Descriptor: | 28-MER DNA template strand, 5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-R(*AP*UP*CP*GP*AP*GP*AP*GP*GP*A)-3', ... | Authors: | Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D. | Deposit date: | 2006-11-13 | Release date: | 2006-12-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis Cell(Cambridge,Mass.), 127, 2006
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2NVX
| RNA polymerase II elongation complex in 5 mM Mg+2 with 2'-dUTP | Descriptor: | 28-MER DNA template strand, 5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-R(*AP*UP*CP*GP*AP*GP*AP*GP*GP*A)-3', ... | Authors: | Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D. | Deposit date: | 2006-11-13 | Release date: | 2006-12-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis Cell(Cambridge,Mass.), 127, 2006
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3F59
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2YU9
| RNA polymerase II elongation complex in 150 mm MG+2 with UTP | Descriptor: | 28-MER DNA template strand, 5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-R(*AP*UP*CP*GP*AP*GP*AP*GP*GP*A)-3', ... | Authors: | Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D. | Deposit date: | 2007-04-06 | Release date: | 2007-04-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural Basis of Transcription: Role of the Trigger Loop in Substrate Specificity and Catalysis Cell(Cambridge,Mass.), 127, 2006
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5B2E
| N,N'-diacetylchitobiose deacetylase from Pyrococcus horikoshii complexed with its inhibitor MPG (acetate-containing condition) | Descriptor: | 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-beta-D-glucopyranose, HEXANE-1,6-DIOL, Putative uncharacterized protein PH0499, ... | Authors: | Nakamura, T, Niiyama, M, Ida, K, Uegaki, K. | Deposit date: | 2016-01-15 | Release date: | 2016-08-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Substrate recognition of N,N'-diacetylchitobiose deacetylase from Pyrococcus horikoshii J.Struct.Biol., 195, 2016
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5LT9
| Ligand binding domain of Pseudomonas aeruginosa PAO1 amino acid chemoreceptors PctB in complex with L-Arg | Descriptor: | ARGININE, GLYCEROL, Methyl-accepting chemotaxis protein PctB, ... | Authors: | Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T. | Deposit date: | 2016-09-06 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | How Bacterial Chemoreceptors Evolve Novel Ligand Specificities Mbio, 2020
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5LE0
| MICAL1 Cterminal domain | Descriptor: | Protein-methionine sulfoxide oxidase MICAL1 | Authors: | Hammich, H, Pylypenko, O, Houdusse, A. | Deposit date: | 2016-06-29 | Release date: | 2017-03-01 | Last modified: | 2017-03-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Oxidation of F-actin controls the terminal steps of cytokinesis. Nat Commun, 8, 2017
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6XZ7
| E. coli 50S ribosomal subunit in complex with dirithromycin, fMet-Phe-tRNA(Phe) and deacylated tRNA(iMet). | Descriptor: | 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ... | Authors: | Pichkur, E.B, Polikanov, Y.S, Myasnikov, A.G, Konevega, A.L. | Deposit date: | 2020-02-03 | Release date: | 2020-07-22 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Insights into the improved macrolide inhibitory activity from the high-resolution cryo-EM structure of dirithromycin bound to theE. coli70S ribosome. Rna, 26, 2020
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8FMH
| Structure of CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-dGAMP ligand (2 tetramers in the AU) | Descriptor: | 3'2'-cGAMP, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Rechkoblit, O, Kreitler, D.F, Aggarwal, A.K. | Deposit date: | 2022-12-23 | Release date: | 2024-02-07 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Activation of CBASS Cap5 endonuclease immune effector by cyclic nucleotides. Nat.Struct.Mol.Biol., 31, 2024
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4R3C
| Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ... | Authors: | Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M. | Deposit date: | 2014-08-14 | Release date: | 2015-02-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models. ACS Chem Neurosci, 6, 2015
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7D5T
| Cryo-EM structure of 90S preribosome with inactive Utp24 (state F1) | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ... | Authors: | Du, Y, Zhang, J, An, W, Ye, K. | Deposit date: | 2020-09-28 | Release date: | 2021-10-06 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | Cryo-EM structure of 90S preribosome with inactive Utp24 (state F1) To Be Published
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4YM7
| RNA polymerase I structure with an alternative dimer hinge | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Kostrewa, D, Kuhn, C.-D, Engel, C, Cramer, P. | Deposit date: | 2015-03-06 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (5.5 Å) | Cite: | An alternative RNA polymerase I structure reveals a dimer hinge. Acta Crystallogr.,Sect.D, 71, 2015
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