Author results

4ICL
  • Download 4icl
  • View 4icl
Molmil generated image of 4icl
HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT AT THE INCOMING DNTP BINDING SITE
Descriptor:Reverse transcriptase/ribonuclease H, p51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Bauman, J.D., Patel, D., Arnold, E.
Deposit date:2012-12-10
Release date:2013-02-06
Last modified:2017-11-15
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
4ID5
  • Download 4id5
  • View 4id5
Molmil generated image of 4id5
HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT AT THE RNASE H PRIMER GRIP SITE
Descriptor:Reverse transcriptase/ribonuclease H, P51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Bauman, J.D., Patel, D., Arnold, E.
Deposit date:2012-12-11
Release date:2013-02-06
Last modified:2017-11-15
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
4IDK
  • Download 4idk
  • View 4idk
Molmil generated image of 4idk
HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT AT THE 428 SITE
Descriptor:Reverse transcriptase/ribonuclease H, p51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Bauman, J.D., Patel, D., Arnold, E.
Deposit date:2012-12-12
Release date:2013-02-06
Last modified:2015-06-17
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
  • Download 4ifv
  • View 4ifv
Molmil generated image of 4ifv
DETECTING ALLOSTERIC SITES OF HIV-1 REVERSE TRANSCRIPTASE BY X-RAY CRYSTALLOGRAPHIC FRAGMENT SCREENING
Descriptor:Exoribonuclease H, p66 RT, Gag-Pol polyprotein, ...
Authors:Bauman, J.D., Patel, D., Fromer, M., Arnold, E.
Deposit date:2012-12-15
Release date:2013-02-06
Last modified:2015-06-17
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
4IFY
  • Download 4ify
  • View 4ify
Molmil generated image of 4ify
HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT AT THE KNUCKLES SITE
Descriptor:REVERSE TRANSCRIPTASE/RIBONUCLEASE H, p51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Bauman, J.D., Patel, D., Arnold, E.
Deposit date:2012-12-15
Release date:2013-02-06
Last modified:2017-11-15
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
4IG0
  • Download 4ig0
  • View 4ig0
Molmil generated image of 4ig0
HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT AT THE 507 SITE
Descriptor:Reverse transcriptase/ribonuclease H, P51 RT, 2-({[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1H)-one, ...
Authors:Bauman, J.D., Patel, D., Arnold, E.
Deposit date:2012-12-15
Release date:2013-02-06
Last modified:2013-04-24
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
  • Download 4ig3
  • View 4ig3
Molmil generated image of 4ig3
HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT NEAR KNUCKLES SITE
Descriptor:Reverse transcriptase/ribonuclease H, P51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Bauman, J.D., Patel, D., Arnold, E.
Deposit date:2012-12-15
Release date:2013-02-06
Last modified:2017-11-15
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
4KFB
  • Download 4kfb
  • View 4kfb
Molmil generated image of 4kfb
HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT AT NNRTI ADJACENT SITE
Descriptor:REVERSE TRANSCRIPTASE/RIBONUCLEASE H, EXORIBONUCLEA P66 RT, P51 RT, ...
Authors:Bauman, J.D., Patel, D., Arnold, E.
Deposit date:2013-04-26
Release date:2013-05-15
Last modified:2015-06-17
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
4LN7
  • Download 4ln7
  • View 4ln7
Molmil generated image of 4ln7
5,6-BIS(4-FLUOROPHENYL)-3-HYDROXY-2,5-DIHYDROPYRIDIN-2-ONE BOUND TO INFLUENZA 2009 PH1N1 ENDONUCLEASE
Descriptor:POLYMERASE PA, MANGANESE (II) ION, 1,2-ETHANEDIOL, ...
Authors:Bauman, J.D., Patel, D., Das, K., Arnold, E.
Deposit date:2013-07-11
Release date:2013-09-11
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4M4Q
  • Download 4m4q
  • View 4m4q
Molmil generated image of 4m4q
6-(4-FLUOROPHENYL)-3-HYDROXY-5-[4-(1H-1,2,3,4-TETRAZOL-5-YL)PHENYL] -1,2-DIHYDROPYRIDIN-2-ONE BOUND TO INFLUENZA 2009 H1N1 ENDONUCLEASE
Descriptor:Polymerase PA, MANGANESE (II) ION, SULFATE ION, ...
Authors:Bauman, J.D., Patel, D., Das, K., Arnold, E.
Deposit date:2013-08-07
Release date:2013-09-11
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4M5O
  • Download 4m5o
  • View 4m5o
Molmil generated image of 4m5o
3-HYDROXY-6-PHENYL-1,2-DIHYDROPYRIDIN-2-ONE BOUND TO INFLUENZA 2009 H1N1 ENDONUCLEASE
Descriptor:Polymerase PA, MANGANESE (II) ION, SULFATE ION, ...
Authors:Bauman, J.D., Patel, D., Das, K., Arnold, E.
Deposit date:2013-08-08
Release date:2013-09-11
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4M5Q
  • Download 4m5q
  • View 4m5q
Molmil generated image of 4m5q
HIGH-RESOLUTION APO INFLUENZA 2009 H1N1 ENDONUCLEASE STRUCTURE
Descriptor:Polymerase PA, MANGANESE (II) ION, 1,2-ETHANEDIOL
Authors:Bauman, J.D., Patel, D., Das, K., Arnold, E.
Deposit date:2013-08-08
Release date:2013-09-11
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (1.534 Å)
Cite:Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4M5R
  • Download 4m5r
  • View 4m5r
Molmil generated image of 4m5r
HIGH-RESOLUTION INFLUENZA 2009 H1N1 ENDONUCLEASE BOUND TO 4-(1H-IMIDAZOL-1-YL)PHENOL
Descriptor:Polymerase PA, MANGANESE (II) ION, 4-(1H-IMIDAZOL-1-YL)PHENOL, ...
Authors:Bauman, J.D., Patel, D., Das, K., Arnold, E.
Deposit date:2013-08-08
Release date:2013-09-11
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4M5V
  • Download 4m5v
  • View 4m5v
Molmil generated image of 4m5v
INFLUENZA 2009 H1N1 ENDONUCLEASE WITH 100 MILLIMOLAR CALCIUM
Descriptor:Polymerase PA, SULFATE ION, CALCIUM ION
Authors:Bauman, J.D., Patel, D., Das, K., Arnold, E.
Deposit date:2013-08-08
Release date:2013-09-18
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4MK1
  • Download 4mk1
  • View 4mk1
Molmil generated image of 4mk1
5-BROMOPYRIDINE-2,3-DIOL BOUND TO INFLUENZA 2009 PH1N1 ENDONUCLEASE
Descriptor:POLYMERASE PA, MANGANESE (II) ION, SULFATE ION, ...
Authors:Bauman, J.D., Patel, D., Das, K., Arnold, E.
Deposit date:2013-09-04
Release date:2013-09-25
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4MK2
  • Download 4mk2
  • View 4mk2
Molmil generated image of 4mk2
3-(5-HYDROXY-6-OXO-1,6-DIHYDROPYRIDIN-3-YL)BENZONITRILE BOUND TO INFLUENZA 2009 PH1N1 ENDONUCLEASE
Descriptor:POLYMERASE PA, MANGANESE (II) ION, SULFATE ION, ...
Authors:Bauman, J.D., Patel, D., Das, K., Arnold, E.
Deposit date:2013-09-04
Release date:2013-09-25
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4MK5
  • Download 4mk5
  • View 4mk5
Molmil generated image of 4mk5
6-(3-METHOXYPHENYL)PYRIDINE-2,3-DIOL BOUND TO INFLUENZA 2009 PH1N1 ENDONUCLEASE
Descriptor:POLYMERASE PA, MANGANESE (II) ION, SULFATE ION, ...
Authors:Bauman, J.D., Patel, D., Das, K., Arnold, E.
Deposit date:2013-09-04
Release date:2013-09-25
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
5CW1
  • Download 5cw1
  • View 5cw1
Molmil generated image of 5cw1
PROTEINASE K COMPLEXED WITH 4-IODOPYRAZOLE
Descriptor:Proteinase K, SULFATE ION, 4-IODOPYRAZOLE, ...
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
5CXR
  • Download 5cxr
  • View 5cxr
Molmil generated image of 5cxr
INFLUENZA ENDONUCLEASE COMPLEXED WITH 4-BROMOPYRAZOLE
Descriptor:endonuclease, MANGANESE (II) ION, ethane-1,2-diol, ...
Authors:Bauman, J.D., Arnold, E.
Deposit date:2015-07-29
Release date:2015-12-30
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Rapid experimental SAD phasing and hot-spot identification with halogenated fragments.
IUCrJ, 3, 2016
5CYM
  • Download 5cym
  • View 5cym
Molmil generated image of 5cym
HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH 4-IODOPYRAZOLE
Descriptor:HIV-1 reverse transcriptase, p66 subunit, p51 subunit, ...
Authors:Bauman, J.D., Arnold, E.
Deposit date:2015-07-30
Release date:2015-12-30
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rapid experimental SAD phasing and hot spot identification with halogenated fragments
Iucrj, 3, 2016
5CYQ
  • Download 5cyq
  • View 5cyq
Molmil generated image of 5cyq
HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH 4-BROMOPYRAZOLE
Descriptor:HIV-1 reverse transcriptase, p66 subunit, p51 subunit, ...
Authors:Bauman, J.D., Arnold, E.
Deposit date:2015-07-30
Release date:2015-12-30
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.147 Å)
Cite:Rapid experimental SAD phasing and hot-spot identification with halogenated fragments.
IUCrJ, 3, 2016
4G1Q
  • Download 4g1q
  • View 4g1q
Molmil generated image of 4g1q
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH RILPIVIRINE (TMC278, EDURANT), A NON-NUCLEOSIDE RT-INHIBITING DRUG
Descriptor:Reverse transcriptase/ribonuclease H, p51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Bauman, J.D., Patel, D., Das, K., Arnold, E.
Deposit date:2012-07-11
Release date:2013-02-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase.
Nat Chem, 5, 2013
3DLK
  • Download 3dlk
  • View 3dlk
Molmil generated image of 3dlk
CRYSTAL STRUCTURE OF AN ENGINEERED FORM OF THE HIV-1 REVERSE TRANSCRIPTASE, RT69A
Descriptor:Reverse transcriptase/ribonuclease H, p51 RT, SULFATE ION
Authors:Ho, W.C., Bauman, J.D., Himmel, D.M., Das, K., Arnold, E.
Deposit date:2008-06-27
Release date:2008-10-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design.
Nucleic Acids Res., 36, 2008
4KIL
  • Download 4kil
  • View 4kil
Molmil generated image of 4kil
7-(4-FLUOROPHENYL)-3-HYDROXYQUINOLIN-2(1H)-ONE BOUND TO INFLUENZA 2009 H1N1 ENDONUCLEASE
Descriptor:Polymerase PA, MANGANESE (II) ION, SULFATE ION, ...
Authors:Bauman, J.D., Patel, D., Das, K., Arnold, E.
Deposit date:2013-05-02
Release date:2013-05-29
Last modified:2014-07-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:3-Hydroxyquinolin-2(1H)-ones As Inhibitors of Influenza A Endonuclease.
ACS Med Chem Lett, 4, 2013
4M5U
  • Download 4m5u
  • View 4m5u
Molmil generated image of 4m5u
5-(4-FLUOROPHENYL)-3-HYDROXY-6-[4-(1H-1,2,3,4-TETRAZOL-5-YL)PHENYL]-1,2-DIHYDROPYRIDIN-2-ONE BOUND TO INFLUENZA 2009 PH1N1 ENDONUCLEASE
Descriptor:Polymerase PA, MANGANESE (II) ION, SULFATE ION, ...
Authors:Bauman, J.D., Patel, D., Das, K., Arnold, E.
Deposit date:2013-08-08
Release date:2013-09-25
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Phenyl substituted 3-hydroxypyridin-2(1H)-ones: inhibitors of influenza A endonuclease.
Bioorg.Med.Chem., 21, 2013
<123>