7LSK
| Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dTTP, and CA(2+) ion | Descriptor: | 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, AMMONIUM ION, CALCIUM ION, ... | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-18 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
|
|
4OIR
| Crystal structure of Thermus thermophilus RNA polymerase transcription initiation complex soaked with GE23077 and rifamycin SV | Descriptor: | (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ... | Authors: | Zhang, Y, Ebright, R.H, Arnold, E. | Deposit date: | 2014-01-20 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.105 Å) | Cite: | GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides. Elife, 3, 2014
|
|
3K2P
| HIV-1 Reverse Transcriptase Isolated RnaseH Domain with the Inhibitor beta-thujaplicinol Bound at the Active Site | Descriptor: | 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, MANGANESE (II) ION, Reverse Transcriptase | Authors: | Pauly, T.A, Himmel, D.M, Maegley, K, Arnold, E. | Deposit date: | 2009-09-30 | Release date: | 2010-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site. Structure, 17, 2009
|
|
4OIQ
| Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077 and rifampicin | Descriptor: | (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ... | Authors: | Zhang, Y, Ebright, R.H, Arnold, E. | Deposit date: | 2014-01-20 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.624 Å) | Cite: | GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides. Elife, 3, 2014
|
|
4OIN
| Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077 | Descriptor: | (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ... | Authors: | Zhang, Y, Ebright, R.H, Arnold, E. | Deposit date: | 2014-01-20 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides. Elife, 3, 2014
|
|
4OIO
| Crystal structure of Thermus thermophilus pre-insertion substrate complex for de novo transcription initiation | Descriptor: | 5'-D(*CP*CP*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ... | Authors: | Zhang, Y, Ebright, R.H, Arnold, E. | Deposit date: | 2014-01-20 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides. Elife, 3, 2014
|
|
3KLF
| Crystal structure of wild-type HIV-1 Reverse Transcriptase crosslinked to a DSDNA with a bound excision product, AZTPPPPA | Descriptor: | DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(2DA))-3'), DNA (5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), GLYCEROL, ... | Authors: | Tu, X, Das, K, Sarafianos, S.G, Arnold, E. | Deposit date: | 2009-11-07 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol., 17, 2010
|
|
3KLE
| Crystal structure of AZT-resistant HIV-1 Reverse Transcriptase crosslinked to a DSDNA with a bound excision product, AZTPPPPA | Descriptor: | DNA (25-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(2DA))-3'), GLYCEROL, ... | Authors: | Tu, X, Das, K, Sarafianos, S.G, Arnold, E. | Deposit date: | 2009-11-07 | Release date: | 2010-09-22 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol., 17, 2010
|
|
3KLI
| |
3KLG
| Crystal structure of AZT-resistant HIV-1 Reverse Transcriptase crosslinked to pre-translocation AZTMP-Terminated DNA (COMPLEX N) | Descriptor: | DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), Reverse transcriptase/ribonuclease H, ... | Authors: | Tu, X, Sarafianos, S.G, Arnold, E. | Deposit date: | 2009-11-07 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol., 17, 2010
|
|
3KLH
| Crystal structure of AZT-Resistant HIV-1 Reverse Transcriptase crosslinked to post-translocation AZTMP-Terminated DNA (COMPLEX P) | Descriptor: | DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), MAGNESIUM ION, ... | Authors: | Tu, X, Sarafianos, S.G, Arnold, E. | Deposit date: | 2009-11-07 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol., 17, 2010
|
|
5CXR
| |
5CYQ
| HIV-1 reverse transcriptase complexed with 4-bromopyrazole | Descriptor: | 4-bromo-1H-pyrazole, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, BROMIDE ION, ... | Authors: | Bauman, J.D, Arnold, E. | Deposit date: | 2015-07-30 | Release date: | 2015-12-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.147 Å) | Cite: | Rapid experimental SAD phasing and hot-spot identification with halogenated fragments. IUCrJ, 3, 2016
|
|
5D3G
| Structure of HIV-1 Reverse Transcriptase Bound to a Novel 38-mer Hairpin Template-Primer DNA Aptamer | Descriptor: | DNA aptamer (38-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 subunit, ... | Authors: | Miller, M.T, Tuske, S, Das, K, Arnold, E. | Deposit date: | 2015-08-06 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of HIV-1 reverse transcriptase bound to a novel 38-mer hairpin template-primer DNA aptamer. Protein Sci., 25, 2016
|
|
5CYM
| HIV-1 reverse transcriptase complexed with 4-iodopyrazole | Descriptor: | 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Bauman, J.D, Arnold, E. | Deposit date: | 2015-07-30 | Release date: | 2015-12-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rapid experimental SAD phasing and hot spot identification with halogenated fragments Iucrj, 3, 2016
|
|
5CW1
| Proteinase K complexed with 4-iodopyrazole | Descriptor: | 4-IODOPYRAZOLE, IODIDE ION, Proteinase K, ... | Authors: | Bauman, J.D, Arnold, E. | Deposit date: | 2015-07-27 | Release date: | 2015-12-30 | Last modified: | 2017-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Rapid experimental SAD phasing and hot spot identification with halogenated fragments Iucrj, 3, 2016
|
|
1KXG
| The 2.0 Ang Resolution Structure of BLyS, B Lymphocyte Stimulator. | Descriptor: | 1,4-DIETHYLENE DIOXIDE, B lymphocyte stimulator, CITRIC ACID, ... | Authors: | Oren, D.A, Li, Y, Volovik, Y, Morris, T.S, Dharia, C, Das, K, Galperina, O, Gentz, R, Arnold, E. | Deposit date: | 2002-01-31 | Release date: | 2002-03-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of BLyS receptor recognition. Nat.Struct.Biol., 9, 2002
|
|
1LXY
| Crystal Structure of Arginine Deiminase covalently linked with L-citrulline | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arginine Deiminase, CITRULLINE | Authors: | Das, K, Buttler, G.H, Kwiatkowski, V, Yadav, P, Arnold, E. | Deposit date: | 2002-06-06 | Release date: | 2004-01-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of arginine deiminase with covalent reaction intermediates; implications for catalytic mechanism Structure, 12, 2004
|
|
1M0S
| NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG ID IR21) | Descriptor: | CITRIC ACID, Ribose-5-Phosphate Isomerase A | Authors: | Das, K, Xiao, R, Acton, T, Montelione, G, Arnold, E, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2002-06-14 | Release date: | 2002-09-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | D-RIBOSE-5-PHOSPHATE ISOMERASE, IR21 TO BE PUBLISHED
|
|
1N5Y
| HIV-1 Reverse Transcriptase Crosslinked to Post-Translocation AZTMP-Terminated DNA (Complex P) | Descriptor: | 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3', 5'-D(*AP*TP*GP*C*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | Authors: | Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, P, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E. | Deposit date: | 2002-11-07 | Release date: | 2003-01-28 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of HIV-1 Reverse Transcriptase with Pre-Translocation and Post-Translocation AZTMP-Terminated DNA Embo J., 21, 2002
|
|
1N6Q
| HIV-1 Reverse Transcriptase Crosslinked to pre-translocation AZTMP-terminated DNA (complex N) | Descriptor: | 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3', 5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | Authors: | Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, I, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E. | Deposit date: | 2002-11-11 | Release date: | 2003-01-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of HIV-1 Reverse Transcriptase with Pre- and Post-translocation AZTMP-terminated DNA Embo J., 21, 2002
|
|
1NFG
| Structure of D-hydantoinase | Descriptor: | D-hydantoinase, ZINC ION | Authors: | Xu, Z, Yang, Y, Jiang, W, Arnold, E, Ding, J. | Deposit date: | 2002-12-14 | Release date: | 2003-07-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of D-Hydantoinase from Burkholderia pickettii at a Resolution of 2.7 Angstroms: Insights into the Molecular Basis of Enzyme Thermostability. J.Bacteriol., 185, 2003
|
|
2RHK
| Crystal structure of influenza A NS1A protein in complex with F2F3 fragment of human cellular factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cleavage and polyadenylation specificity factor subunit 4, NITRATE ION, ... | Authors: | Das, K, Ma, L.-C, Xiao, R, Radvansky, B, Aramini, J, Zhao, L, Arnold, E, Krug, R.M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-10-09 | Release date: | 2008-07-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for suppression of a host antiviral response by influenza A virus. Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
4I2Q
| Crystal structure of K103N/Y181C mutant of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) analogue | Descriptor: | (2E)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9H-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile, 1,2-ETHANEDIOL, Gag-Pol polyprotein | Authors: | Patel, D, Bauman, J.D, Das, K, Arnold, E. | Deposit date: | 2012-11-22 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7004 Å) | Cite: | A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants. Retrovirology, 9, 2012
|
|
4I2P
| Crystal structure of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) based analogue | Descriptor: | (2E)-3-[4-({6-[(4-methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile, Gag-Pol polyprotein | Authors: | Patel, D, Bauman, J.D, Das, K, Arnold, E. | Deposit date: | 2012-11-22 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2964 Å) | Cite: | A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants. Retrovirology, 9, 2012
|
|