7MQ8
 
 | | Cryo-EM structure of the human SSU processome, state pre-A1 | | Descriptor: | 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | | Authors: | Vanden Broeck, A, Singh, S, Klinge, S. | | Deposit date: | 2021-05-05 | | Release date: | 2021-09-22 | | Last modified: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Nucleolar maturation of the human small subunit processome.
Science, 373, 2021
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6DAC
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-05-01 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
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7JTK
 | | Radial spoke 1 isolated from Chlamydomonas reinhardtii | | Descriptor: | Cytochrome b5 heme-binding domain-containing protein, Dynein 8 kDa light chain, flagellar outer arm, ... | | Authors: | Gui, M, Ma, M, Sze-Tu, E, Wang, X, Koh, F, Zhong, E, Berger, B, Davis, J, Dutcher, S, Zhang, R, Brown, A. | | Deposit date: | 2020-08-17 | | Release date: | 2020-12-16 | | Last modified: | 2021-01-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of radial spokes and associated complexes important for ciliary motility.
Nat.Struct.Mol.Biol., 28, 2021
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4I3Q
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3BJ9
 | | Crystal structure of the Surrogate Light Chain Variable Domain VpreBJ | | Descriptor: | 1,2-ETHANEDIOL, Immunoglobulin iota chain, Immunoglobulin lambda-like polypeptide 1 | | Authors: | Morstadt, L.M, Bohm, A.A, Stollar, B.D, Baleja, J.D. | | Deposit date: | 2007-12-03 | | Release date: | 2008-03-04 | | Last modified: | 2019-09-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineering and characterization of a single chain surrogate light chain variable domain.
Protein Sci., 17, 2008
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4NY4
 | | Crystal structure of CYP3A4 in complex with an inhibitor | | Descriptor: | (8R)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Branden, G, Sjogren, T, Xue, Y. | | Deposit date: | 2013-12-10 | | Release date: | 2014-08-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-based ligand design to overcome CYP inhibition in drug discovery projects.
Drug Discov Today, 19, 2014
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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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6HA1
 | | Cryo-EM structure of a 70S Bacillus subtilis ribosome translating the ErmD leader peptide in complex with telithromycin | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Crowe-McAuliffe, C, Graf, M, Huter, P, Abdelshahid, M, Novacek, J, Wilson, D.N. | | Deposit date: | 2018-08-07 | | Release date: | 2018-08-29 | | Last modified: | 2021-01-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for antibiotic resistance mediated by theBacillus subtilisABCF ATPase VmlR.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1T28
 | | High resolution structure of a picornaviral internal cis-acting replication element | | Descriptor: | 34-MER | | Authors: | Thiviyanathan, V, Yang, Y, Kaluarachchi, K, Reynbrand, R, Gorenstein, D.G, Lemon, S.M. | | Deposit date: | 2004-04-20 | | Release date: | 2004-08-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | High resolution structure of a picornaviral internal cis-acting replication element(cre).
Proc.Natl.Acad.Sci.USA, 101, 2004
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4PKO
 | | Crystal structure of the Football-shaped GroEL-GroES2-(ADPBeFx)14 complex | | Descriptor: | 10 kDa chaperonin, 60 kDa chaperonin, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Fei, X, Ye, X, Laronde-Leblanc, N, Lorimer, G.H. | | Deposit date: | 2014-05-15 | | Release date: | 2014-08-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.84 Å) | | Cite: | Formation and structures of GroEL:GroES2 chaperonin footballs, the protein-folding functional form.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4PDW
 | | A benzonitrile analogue inhibits rhinovirus replication | | Descriptor: | 4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile, Capsid protein VP4/VP2, GLYCEROL, ... | | Authors: | Querol-Audi, J, Guerra, P, Lacroix, C, Roche, M, Franco, D, Froeyen, M, Terme, T, Vanelle, P, Neyts, J, Leyssen, P, Verdaguer, N. | | Deposit date: | 2014-04-22 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A novel benzonitrile analogue inhibits rhinovirus replication.
J.Antimicrob.Chemother., 69, 2014
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1EA1
 | | Cytochrome P450 14 alpha-sterol demethylase (CYP51) from Mycobacterium tuberculosis in complex with fluconazole | | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, CYTOCHROME P450 51-LIKE RV0764C, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Podust, L.M, Poulos, T.L, Waterman, M.R. | | Deposit date: | 2000-11-02 | | Release date: | 2000-11-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal Structure of Cytochrome P450 14Alpha -Sterol Demethylase (Cyp51) from Mycobacterium Tuberculosis in Complex with Azole Inhibitors
Proc.Natl.Acad.Sci.USA, 98, 2001
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4I4G
 | | Crystal structure of CYP3A4 ligated to oxazole-substituted desoxyritonavir | | Descriptor: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2012-11-27 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.718 Å) | | Cite: | Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.
J.Med.Chem., 56, 2013
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4I4H
 | | Crystal structure of CYP3A4 ligated to pyridine-substituted desoxyritonavir | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, pyridin-3-ylmethyl [(2R,5S)-5-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2012-11-27 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.
J.Med.Chem., 56, 2013
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4K9V
 | | Complex of CYP3A4 with a desoxyritonavir analog | | Descriptor: | 1,3-thiazol-5-ylmethyl [(3S,6S)-6-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-seryl]amino}octan-3-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2013-04-21 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
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4K9U
 | | Complex of human CYP3A4 with a desoxyritonavir analog | | Descriptor: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2013-04-21 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
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9IUM
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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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4U25
 | | Crystal structure of the E. coli ribosome bound to virginiamycin M1. | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | | Deposit date: | 2014-07-16 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Synergy of streptogramin antibiotics occurs independently of their effects on translation.
Antimicrob.Agents Chemother., 58, 2014
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2JA7
 | | CPD lesion containing RNA Polymerase II elongation complex C | | Descriptor: | 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP *CP*TP*TP*TP*TTP*CP*CP*BRUP*GP*GP*TP*CP*AP*TP*T)-3', 5'-D(*TP*AP*AP*GP*TP*AP*CP*TP*TP*GP *AP*GP*CP*T)-3', 5'-R(*UP*UP*CP*GP*AP*CP*CP*AP*GP*GP*AP)-3', ... | | Authors: | Brueckner, F, Hennecke, U, Carell, T, Cramer, P. | | Deposit date: | 2006-11-23 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Cpd Damage Recognition by Transcribing RNA Polymerase II.
Science, 315, 2007
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4U1V
 | | Crystal structure of the E. coli ribosome bound to linopristin. | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | | Deposit date: | 2014-07-16 | | Release date: | 2014-07-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Synergy of streptogramin antibiotics occurs independently of their effects on translation.
Antimicrob.Agents Chemother., 58, 2014
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2JA6
 | | CPD lesion containing RNA Polymerase II elongation complex B | | Descriptor: | 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP *CP*TP*TP*TTP*TP*CP*CP*BRUP*GP*GP*TP*CP*AP*TP*T)-3', 5'-D(*TP*AP*AP*GP*TP*AP*CP*TP*TP*GP *AP*GP*CP*T)-3', 5'-R(*UP*UP*CP*GP*AP*CP*CP*AP*GP*GP*AP)-3', ... | | Authors: | Brueckner, F, Hennecke, U, Carell, T, Cramer, P. | | Deposit date: | 2006-11-23 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | CPD damage recognition by transcribing RNA polymerase II.
Science, 315, 2007
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6Q2C
 | | Domain-swapped dimer of Acanthamoeba castellanii CYP51 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Obtusifoliol 14alphademethylase, ... | | Authors: | Sharma, V, Podust, L.M. | | Deposit date: | 2019-08-07 | | Release date: | 2020-10-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole.
Mol.Pharmacol., 98, 2020
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1CVU
 | | CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARACHIDONIC ACID, ... | | Authors: | Kiefer, J.R, Pawlitz, J.L, Moreland, K.T, Stegeman, R.A, Gierse, J.K, Stevens, A.M, Goodwin, D.C, Rowlinson, S.W, Marnett, L.J, Stallings, W.C, Kurumbail, R.G. | | Deposit date: | 1999-08-24 | | Release date: | 2000-05-16 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insights into the stereochemistry of the cyclooxygenase reaction.
Nature, 405, 2000
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6QBG
 | | Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 14 | | Descriptor: | (3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brynda, J, Houstecka, R, Majer, P, Mares, M. | | Deposit date: | 2018-12-21 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.
J.Med.Chem., 63, 2020
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