8JNF
 
 | | The cryo-EM structure of the RAD51 filament bound to the nucleosome | | Descriptor: | DNA (153-MER), DNA (156-MER), DNA repair protein RAD51 homolog 1, ... | | Authors: | Shioi, T, Hatazawa, S, Ogasawara, M, Takizawa, Y, Kurumizaka, H. | | Deposit date: | 2023-06-06 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6.91 Å) | | Cite: | Cryo-EM structures of RAD51 assembled on nucleosomes containing a DSB site.
Nature, 628, 2024
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6WEG
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3DJK
 | | Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0255A | | Descriptor: | (5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ... | | Authors: | Wang, Y.F, Weber, I.T. | | Deposit date: | 2008-06-23 | | Release date: | 2008-09-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: design, synthesis, biological evaluation, and protein-ligand X-ray studies
J.Med.Chem., 51, 2008
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2HNZ
 | | Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with PETT-2 | | Descriptor: | 1-[2-(4-ETHOXY-3-FLUOROPYRIDIN-2-YL)ETHYL]-3-(5-METHYLPYRIDIN-2-YL)THIOUREA, PHOSPHATE ION, Reverse transcriptase/ribonuclease H | | Authors: | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | | Deposit date: | 2006-07-13 | | Release date: | 2006-09-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138.
Febs J., 273, 2006
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8DR0
 | | Closed state of RFC:PCNA bound to a 3' ss/dsDNA junction | | Descriptor: | DNA (5'-D(P*CP*CP*CP*CP*GP*GP*GP*GP*CP*CP*CP*CP*CP*CP*CP*GP*GP*C)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*CP*GP*GP*GP*GP*GP*GP*GP*CP*CP*CP*CP*GP*GP*GP*G)-3'), GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Schrecker, M, Hite, R.K. | | Deposit date: | 2022-07-20 | | Release date: | 2022-08-24 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.42 Å) | | Cite: | Multistep loading of a DNA sliding clamp onto DNA by replication factor C.
Elife, 11, 2022
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8DQZ
 | | Intermediate state of RFC:PCNA bound to a 3' ss/dsDNA junction | | Descriptor: | DNA (5'-D(P*CP*CP*CP*CP*GP*GP*GP*GP*CP*CP*CP*CP*CP*CP*CP*GP*GP*C)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*CP*GP*GP*GP*GP*GP*GP*GP*CP*CP*CP*CP*GP*GP*GP*G)-3'), GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Schrecker, M, Hite, R.K. | | Deposit date: | 2022-07-20 | | Release date: | 2022-08-24 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Multistep loading of a DNA sliding clamp onto DNA by replication factor C.
Elife, 11, 2022
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8DQX
 | | Open state of RFC:PCNA bound to a 3' ss/dsDNA junction | | Descriptor: | DNA (5'-D(*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(P*TP*CP*CP*GP*AP*GP*CP*GP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*GP*CP*CP*CP*GP*GP*A)-3'), ... | | Authors: | Schrecker, M, Hite, R.K. | | Deposit date: | 2022-07-20 | | Release date: | 2022-08-24 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | Multistep loading of a DNA sliding clamp onto DNA by replication factor C.
Elife, 11, 2022
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8DR6
 | | Closed state of RFC:PCNA bound to a nicked dsDNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (32-MER), DNA (5'-D(P*CP*CP*CP*CP*CP*CP*GP*GP*CP*CP*CP*CP*CP*CP*CP*GP*GP*C)-3'), ... | | Authors: | Schrecker, M, Hite, R.K. | | Deposit date: | 2022-07-20 | | Release date: | 2022-08-24 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.39 Å) | | Cite: | Multistep loading of a DNA sliding clamp onto DNA by replication factor C.
Elife, 11, 2022
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4I7F
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2ZNX
 | | 5-Fluorotryptophan Incorporated ScFv10 Complexed to Hen Egg Lysozyme | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Lysozyme C, ScFv | | Authors: | DeSantis, M.E, Acchione, M, Li, M, Walter, R.L, Wlodawer, A, Smith-Gill, S. | | Deposit date: | 2008-05-02 | | Release date: | 2009-01-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Specific fluorine labeling of the HyHEL10 antibody affects antigen binding and dynamics
Biochemistry, 51, 2012
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2ZNW
 | | Crystal Structure of ScFv10 in Complex with Hen Egg Lysozyme | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Lysozyme C, ScFv10 | | Authors: | DeSantis, M.E, Acchione, M, Li, M, Walter, R.L, Wlodawer, A, Smith-Gill, S. | | Deposit date: | 2008-05-02 | | Release date: | 2009-01-27 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Specific fluorine labeling of the HyHEL10 antibody affects antigen binding and dynamics
Biochemistry, 51, 2012
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3DK1
 | | Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0105A | | Descriptor: | (4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ... | | Authors: | Wang, Y.F, Weber, I.T. | | Deposit date: | 2008-06-24 | | Release date: | 2009-05-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Potent HIV-1 protease inhibitors incorporating meso-bicyclic urethanes as P2-ligands: structure-based design, synthesis, biological evaluation and protein-ligand X-ray studies
Org.Biomol.Chem., 6, 2008
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4KV8
 | | Crystal structure of HIV RT in complex with BILR0355BS | | Descriptor: | 11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one, HIV Reverse transcriptase P51, HIV Reverse transcriptase P66, ... | | Authors: | Coulombe, R. | | Deposit date: | 2013-05-22 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | N- versus O-alkylation: Utilizing NMR methods to establish reliable primary structure determinations for drug discovery.
Bioorg.Med.Chem.Lett., 23, 2013
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2HNY
 | | Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | | Deposit date: | 2006-07-13 | | Release date: | 2006-09-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138.
Febs J., 273, 2006
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2HND
 | | Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | | Deposit date: | 2006-07-12 | | Release date: | 2006-09-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138.
Febs J., 273, 2006
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3BB0
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2Q82
 | | Crystal structure of core protein P7 from Pseudomonas phage phi12. Northeast Structural Genomics Target OC1 | | Descriptor: | Core protein P7 | | Authors: | Benach, J, Eryilmaz, E, Su, M, Seetharaman, J, Wei, H, Gottlieb, P, Hunt, J.F, Ghose, R, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-08 | | Release date: | 2007-08-07 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure and dynamics of the P7 protein from the bacteriophage phi 12.
J.Mol.Biol., 382, 2008
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3DIK
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3D20
 | | Crystal structure of HIV-1 mutant I54V and inhibitor DARUNAVIA | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, HIV-1 Protease, ... | | Authors: | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | | Deposit date: | 2008-05-07 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
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7ZUB
 | | Cryo-EM structure of the indirubin-bound Hsp90-XAP2-AHR complex | | Descriptor: | (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, ... | | Authors: | Gruszczyk, J, Savva, C.G, Lai-Kee-Him, J, Bous, J, Ancelin, A, Kwong, H.S, Grandvuillemin, L, Bourguet, W. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-23 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Cryo-EM structure of the agonist-bound Hsp90-XAP2-AHR cytosolic complex.
Nat Commun, 13, 2022
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2GB5
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8QMO
 | | Cryo-EM structure of the benzo[a]pyrene-bound Hsp90-XAP2-AHR complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ... | | Authors: | Kwong, H.S, Grandvuillemin, L, Sirounian, S, Ancelin, A, Lai-Kee-Him, J, Carivenc, C, Lancey, C, Ragan, T.J, Hesketh, E.L, Bourguet, W, Gruszczyk, J. | | Deposit date: | 2023-09-24 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural Insights into the Activation of Human Aryl Hydrocarbon Receptor by the Environmental Contaminant Benzo[a]pyrene and Structurally Related Compounds.
J.Mol.Biol., 436, 2024
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3CYW
 | | Effect of Flap Mutations on Structure of HIV-1 Protease and Inhibition by Saquinavir and Darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Liu, F, Weber, I.T. | | Deposit date: | 2008-04-27 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
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2QNN
 | | HIV-1 protease in complex with a multiple decorated pyrrolidine-based inhibitor | | Descriptor: | 4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4-(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | | Deposit date: | 2007-07-19 | | Release date: | 2008-04-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
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1FKP
 | | CRYSTAL STRUCTURE OF NNRTI RESISTANT K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 RT, A-CHAIN, ... | | Authors: | Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-08-10 | | Release date: | 2000-11-03 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
Structure Fold.Des., 8, 2000
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