7KVN
 
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | | Authors: | Sevrioukova, I. | | Deposit date: | 2020-11-28 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength.
Int J Mol Sci, 22, 2021
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5J1W
 | | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14) | | Descriptor: | Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-03-29 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
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1I6H
 | | RNA POLYMERASE II ELONGATION COMPLEX | | Descriptor: | 5'-D(P*AP*AP*AP*TP*GP*CP*CP*TP*GP*GP*TP*CP*T)-3', 5'-R(P*GP*AP*CP*CP*AP*GP*GP*CP*A)-3', DNA-DIRECTED RNA POLYMERASE II 13.6KD POLYPEPTIDE, ... | | Authors: | Gnatt, A.L, Cramer, P, Kornberg, R.D. | | Deposit date: | 2001-03-02 | | Release date: | 2001-04-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis of transcription: an RNA polymerase II elongation complex at 3.3 A resolution.
Science, 292, 2001
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1K83
 | | Crystal Structure of Yeast RNA Polymerase II Complexed with the Inhibitor Alpha Amanitin | | Descriptor: | ALPHA AMANITIN, DNA-DIRECTED RNA POLYMERASE II 13.6KD POLYPEPTIDE, DNA-DIRECTED RNA POLYMERASE II 14.2KD POLYPEPTIDE, ... | | Authors: | Bushnell, D.A, Cramer, P, Kornberg, R.D. | | Deposit date: | 2001-10-22 | | Release date: | 2002-02-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis of Transcription: Alpha-Amanitin-RNA Polymerase II Cocrystal at 2.8 A Resolution.
Proc.Natl.Acad.Sci.USA, 99, 2002
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1I3Q
 | | RNA POLYMERASE II CRYSTAL FORM I AT 3.1 A RESOLUTION | | Descriptor: | DNA-DIRECTED RNA POLYMERASE II 13.6KD POLYPEPTIDE, DNA-DIRECTED RNA POLYMERASE II 14.2KD POLYPEPTIDE, DNA-DIRECTED RNA POLYMERASE II 14.5KD POLYPEPTIDE, ... | | Authors: | Cramer, P, Bushnell, D.A, Kornberg, R.D. | | Deposit date: | 2001-02-15 | | Release date: | 2001-04-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis of transcription: RNA polymerase II at 2.8 angstrom resolution.
Science, 292, 2001
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1I50
 | | RNA POLYMERASE II CRYSTAL FORM II AT 2.8 A RESOLUTION | | Descriptor: | DNA-DIRECTED RNA POLYMERASE II 13.6KD POLYPEPTIDE, DNA-DIRECTED RNA POLYMERASE II 14.2KD POLYPEPTIDE, DNA-DIRECTED RNA POLYMERASE II 14.5KD POLYPEPTIDE, ... | | Authors: | Cramer, P, Bushnell, D.A, Kornberg, R.D. | | Deposit date: | 2001-02-23 | | Release date: | 2001-04-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of transcription: RNA polymerase II at 2.8 angstrom resolution.
Science, 292, 2001
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4V7S
 | | Crystal structure of the E. coli ribosome bound to telithromycin. | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Dunkle, J.A, Xiong, L, Mankin, A.S, Cate, J.H.D. | | Deposit date: | 2010-08-05 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.2547 Å) | | Cite: | Structures of the Escherichia coli ribosome with antibiotics bound near the peptidyl transferase center explain spectra of drug action.
Proc.Natl.Acad.Sci.USA, 107, 2010
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7S4J
 | | CryoEM structure of Methylococcus capsulatus (Bath) pMMO in a native lipid nanodisc at 2.16 Angstrom resolution | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ... | | Authors: | Koo, C.W, Rosenzweig, A.C. | | Deposit date: | 2021-09-09 | | Release date: | 2022-03-30 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.16 Å) | | Cite: | Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer.
Science, 375, 2022
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7S4I
 | | CryoEM structure of Methylococcus capsulatus (Bath) pMMO in a native lipid nanodisc at 2.26 Angstrom resolution | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ... | | Authors: | Koo, C.W, Rosenzweig, A.C. | | Deposit date: | 2021-09-09 | | Release date: | 2022-03-30 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.26 Å) | | Cite: | Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer.
Science, 375, 2022
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8CC0
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7SGI
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7RZ1
 | | Hen egg-white lysozyme with ionic liquid ethanolammonium formate 14.4 mol% | | Descriptor: | ETHANOLAMINE, FORMIC ACID, Lysozyme C | | Authors: | Han, Q, Darmanin, C, Drummond, C, Greaves, T. | | Deposit date: | 2021-08-27 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.046 Å) | | Cite: | Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids.
J Colloid Interface Sci, 650, 2023
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7T81
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4WQ0
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6ZQB
 | | Cryo-EM structure of the 90S pre-ribosome from Saccharomyces cerevisiae, state B2 | | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ... | | Authors: | Cheng, J, Lau, B, Venuta, G.L, Berninghausen, O, Hurt, E, Beckmann, R. | | Deposit date: | 2020-07-09 | | Release date: | 2020-09-23 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | 90 S pre-ribosome transformation into the primordial 40 S subunit.
Science, 369, 2020
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6Y79
 | | Cryo-EM structure of a respiratory complex I F89A mutant | | Descriptor: | (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), ... | | Authors: | Parey, K. | | Deposit date: | 2020-02-28 | | Release date: | 2020-10-28 | | Last modified: | 2021-02-24 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Essential role of accessory subunit LYRM6 in the mechanism of mitochondrial complex I.
Nat Commun, 11, 2020
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6Y11
 | | Respiratory complex I from Thermus thermophilus | | Descriptor: | DUF3197 domain-containing protein, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. | | Deposit date: | 2020-02-10 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.109 Å) | | Cite: | Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
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1SFO
 | | RNA POLYMERASE II STRAND SEPARATED ELONGATION COMPLEX | | Descriptor: | DNA STRAND, DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, ... | | Authors: | Westover, K.D, Bushnell, D.A, Kornberg, R.D. | | Deposit date: | 2004-02-20 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.61 Å) | | Cite: | Structural Basis of Transcription: Separation of RNA from DNA by RNA Polymerase II
Science, 303, 2004
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2C1E
 | | Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. | | Descriptor: | AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-14-(4-ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN -16-OIC ACID, ... | | Authors: | Grutter, M.G. | | Deposit date: | 2005-09-14 | | Release date: | 2006-09-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
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2C2M
 | | Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. | | Descriptor: | AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-14-[4-(BENZYLOXY)-4-OXOBUTANOYL]-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14 -PENTAAZAHEXADECAN-16-OIC ACID, ... | | Authors: | Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C. | | Deposit date: | 2005-09-29 | | Release date: | 2006-09-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
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8GXS
 | | PIC-Mediator in complex with +1 nucleosome (T40N) in H-binding state | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X. | | Deposit date: | 2022-09-21 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (4.16 Å) | | Cite: | Structures of +1 nucleosome-bound PIC-Mediator complex.
Science, 378, 2022
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1R5U
 | | RNA POLYMERASE II TFIIB COMPLEX | | Descriptor: | DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, DNA-directed RNA polymerase II 140 kDa polypeptide, ... | | Authors: | Bushnell, D.A, Westover, K.D, Davis, R, Kornberg, R.D. | | Deposit date: | 2003-10-13 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Structural basis of transcription: an RNA polymerase II-TFIIB cocrystal at 4.5 Angstroms.
Science, 303, 2004
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1R9S
 | | RNA POLYMERASE II STRAND SEPARATED ELONGATION COMPLEX, MATCHED NUCLEOTIDE | | Descriptor: | DNA strand, DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, ... | | Authors: | Westover, K.D, Bushnell, D.A, Kornberg, R.D. | | Deposit date: | 2003-10-30 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (4.25 Å) | | Cite: | Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
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8DYC
 | | Human CYP3A4 bound to a substrate | | Descriptor: | 2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Cytochrome P450 3A4, GLYCEROL, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2022-08-04 | | Release date: | 2022-10-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of CYP3A4 Complexed with Fluorol Identifies the Substrate Access Channel as a High-Affinity Ligand Binding Site.
Int J Mol Sci, 23, 2022
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1R9T
 | | RNA POLYMERASE II STRAND SEPARATED ELONGATION COMPLEX, MISMATCHED NUCLEOTIDE | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA nontemplate strand, DNA template strand, ... | | Authors: | Westover, K.D, Bushnell, D.A, Kornberg, R.D. | | Deposit date: | 2003-10-30 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
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