2DVG
| Crystal structure of peanut lectin GAL-ALPHA-1,6-GLC complex | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Natchiar, S.K, Srinivas, O, Mitra, N, Surolia, A, Jayaraman, N, Vijayan, M. | Deposit date: | 2006-07-31 | Release date: | 2006-11-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin ACTA CRYSTALLOGR.,SECT.D, 62, 2006
|
|
2DH1
| Crystal structure of peanut lectin lactose-azobenzene-4,4'-dicarboxylic acid-lactose complex | Descriptor: | Galactose-binding lectin | Authors: | Natchiar, S.K, Srinivas, O, Nivedita, M, Sagarika, D, Jayaraman, N, Surolia, A, Vijayan, M. | Deposit date: | 2006-03-17 | Release date: | 2006-08-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (7.65 Å) | Cite: | Multivalency in lectins - A crystallographic, modelling and light-scattering study involving peanut lectin and a bivalent ligand Curr.Sci., 90, 2006
|
|
7LPX
| Crystal Structure of HIV-1 RT in Complex with NBD-14270 | Descriptor: | Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ... | Authors: | Losada, N, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-12 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites. J.Med.Chem., 64, 2021
|
|
7LPW
| Crystal Structure of HIV-1 RT in Complex with NBD-14189 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Reverse transcriptase p51, ... | Authors: | Losada, N, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-12 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites. J.Med.Chem., 64, 2021
|
|
3SSF
| Crystal structure of RNA:DNA dodecamer corresponding to HIV-1 polypurine tract, at 1.6 A resolution. | Descriptor: | 5'-D(*CP*CP*TP*TP*TP*TP*CP*TP*TP*TP*TP*A)-3', 5'-R(*UP*AP*AP*AP*AP*GP*AP*AP*AP*AP*GP*G)-3', MAGNESIUM ION | Authors: | Drozdzal, P, Michalska, K, Kierzek, R, Lomozik, L, Jaskolski, M. | Deposit date: | 2011-07-08 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of an RNA/DNA dodecamer corresponding to the HIV-1 polypurine tract at 1.6 Angstrom resolution Acta Crystallogr.,Sect.D, 68, 2012
|
|
2I3I
| Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | Descriptor: | (3R,6R,9AR)-2,2-DIMETHYL-6-[(N-METHYL-L-ALANYL)AMINO]-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO-2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2-A]AZEPINE-3-CARBOXAMIDE, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Fairbrother, W.J, Franklin, M.C. | Deposit date: | 2006-08-18 | Release date: | 2006-09-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs. Acs Chem.Biol., 1, 2006
|
|
2I3H
| Structure of an ML-IAP/XIAP chimera bound to a 4-mer peptide (AVPW) | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AVPW peptide, ... | Authors: | Fairbrother, W.J, Franklin, M.C. | Deposit date: | 2006-08-18 | Release date: | 2006-09-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs. Acs Chem.Biol., 1, 2006
|
|
3F7I
| Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ... | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | Deposit date: | 2008-11-09 | Release date: | 2009-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold J.Med.Chem., 52, 2009
|
|
3F7H
| Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ... | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | Deposit date: | 2008-11-09 | Release date: | 2009-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold J.Med.Chem., 52, 2009
|
|
3F7G
| Structure of the BIR domain from ML-IAP bound to a peptidomimetic | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Baculoviral IAP repeat-containing protein 7, L-alanyl-L-valyl-N-(2,2-diphenylethyl)-L-prolinamide, ... | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | Deposit date: | 2008-11-09 | Release date: | 2009-03-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold J.Med.Chem., 52, 2009
|
|
4ICL
| HIV-1 reverse transcriptase with bound fragment at the incoming dNTP binding site | Descriptor: | 4-(4-methylpiperazin-1-yl)benzoic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Bauman, J.D, Patel, D, Arnold, E. | Deposit date: | 2012-12-10 | Release date: | 2013-02-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
|
|
4IG0
| HIV-1 reverse transcriptase with bound fragment at the 507 site | Descriptor: | 2-({[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1H)-one, DIMETHYL SULFOXIDE, P51 RT, ... | Authors: | Bauman, J.D, Patel, D, Arnold, E. | Deposit date: | 2012-12-15 | Release date: | 2013-02-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
|
|
4IG3
| HIV-1 reverse transcriptase with bound fragment near Knuckles site | Descriptor: | (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Bauman, J.D, Patel, D, Arnold, E. | Deposit date: | 2012-12-15 | Release date: | 2013-02-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
|
|
4IFY
| HIV-1 reverse transcriptase with bound fragment at the Knuckles site | Descriptor: | 1-[4-(trifluoromethoxy)phenyl]methanamine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Bauman, J.D, Patel, D, Arnold, E. | Deposit date: | 2012-12-15 | Release date: | 2013-02-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
|
|
4IDK
| HIV-1 reverse transcriptase with bound fragment at the 428 site | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Bauman, J.D, Patel, D, Arnold, E. | Deposit date: | 2012-12-12 | Release date: | 2013-02-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
|
|
4IFV
| Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, Exoribonuclease H, ... | Authors: | Bauman, J.D, Patel, D, Fromer, M, Arnold, E. | Deposit date: | 2012-12-15 | Release date: | 2013-02-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
|
|
4ID5
| HIV-1 reverse transcriptase with bound fragment at the RNase H primer grip site | Descriptor: | 1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Bauman, J.D, Patel, D, Arnold, E. | Deposit date: | 2012-12-11 | Release date: | 2013-02-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
|
|
1V6J
| peanut lectin-lactose complex crystallized in orthorhombic form at acidic pH | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 2003-12-01 | Release date: | 2004-02-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure. Acta Crystallogr.,Sect.D, 60, 2004
|
|
1V6K
| Peanut lectin-lactose complex in the presence of peptide(IWSSAGNVA) | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 2003-12-01 | Release date: | 2004-02-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure. Acta Crystallogr.,Sect.D, 60, 2004
|
|
1V6L
| Peanut lectin-lactose complex in the presence of 9mer peptide (PVIWSSATG) | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 2003-12-01 | Release date: | 2004-02-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure. Acta Crystallogr.,Sect.D, 60, 2004
|
|
1V6I
| Peanut lectin-lactose complex in acidic pH | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 2003-12-01 | Release date: | 2004-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure. Acta Crystallogr.,Sect.D, 60, 2004
|
|
3IRX
| Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate. | Descriptor: | (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate, Reverse transcriptase, Reverse transcriptase/ribonuclease H | Authors: | Ho, W.C, Arnold, E. | Deposit date: | 2009-08-24 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the
alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor (E)-S-Methyl
5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate. J.Med.Chem., 52, 2009
|
|
6ASG
| Crystal structure of Thermus thermophilus RNA polymerase core enzyme | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Liu, Y, Lin, W, Ying, R, Ebright, R.H. | Deposit date: | 2017-08-24 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3). Mol. Cell, 70, 2018
|
|
4KKO
| Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((4-methoxy-6-(2-morpholinoethoxy)-1,3,5-triazin-2-yl)amino)-2-((3-methylbut-2-en-1-yl)oxy)benzonitrile (JLJ513), a non-nucleoside inhibitor | Descriptor: | 4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile, HIV-1 reverse transcriptase, p51 subunit, ... | Authors: | Frey, K.M, Anderson, K.S. | Deposit date: | 2013-05-06 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4KFB
| HIV-1 reverse transcriptase with bound fragment at NNRTI adjacent site | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, P51 RT, ... | Authors: | Bauman, J.D, Patel, D, Arnold, E. | Deposit date: | 2013-04-26 | Release date: | 2013-05-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
|
|