Author results

4QAG
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STRUCTURE OF A DIHYDROXYCOUMARIN ACTIVE-SITE INHIBITOR IN COMPLEX WITH THE RNASE H DOMAIN OF HIV-1 REVERSE TRANSCRIPTASE
Descriptor:Reverse transcriptase/ribonuclease H, MANGANESE (II) ION, (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid
Authors:Himmel, D.M., Ho, W.C., Arnold, E.
Deposit date:2014-05-04
Release date:2014-06-04
Last modified:2014-07-09
Method:X-RAY DIFFRACTION (1.712 Å)
Cite:Structure of a Dihydroxycoumarin Active-Site Inhibitor in Complex with the RNase H Domain of HIV-1 Reverse Transcriptase and Structure-Activity Analysis of Inhibitor Analogs.
J.Mol.Biol., 426, 2014
2BE2
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH R221239
Descriptor:REVERSE TRANSCRIPTASE P66 SUBUNIT, REVERSE TRANSCRIPTASE P51 SUBUNIT, SUCROSE, ...
Authors:Himmel, D.M., Das, K., Clark Jr., A.D., Hughes, S.H., Benjahad, A., Oumouch, S., Guillemont, J., Coupa, S., Poncelet, A., Csoka, I., Meyer, C., Andries, K., Nguyen, C.H., Grierson, D.S., Arnold, E.
Deposit date:2005-10-21
Release date:2005-12-06
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains.
J.Med.Chem., 48, 2005
2I5J
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH DHBNH, AN RNASE H INHIBITOR
Descriptor:Reverse transcriptase/ribonuclease H P66 subunit, Reverse transcriptase/ribonuclease H P51 subunit, ALPHA-D-GLUCOSE, ...
Authors:Himmel, D.M., Sarafianos, S.G., Knight, J.L., Levy, R.M., Arnold, E.
Deposit date:2006-08-24
Release date:2006-12-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site.
Acs Chem.Biol., 1, 2006
3IG1
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HIV-1 REVERSE TRANSCRIPTASE WITH THE INHIBITOR BETA-THUJAPLICINOL BOUND AT THE RNASE H ACTIVE SITE
Descriptor:HIV-1 Reverse Transcriptase p66 subunit, HIV-1 Reverse Transcriptase p51 subunit, 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, ...
Authors:Himmel, D.M., Maegley, K.A., Pauly, T.A., Arnold, E.
Deposit date:2009-07-27
Release date:2010-01-26
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site.
Structure, 17, 2009
1KK7
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SCALLOP MYOSIN IN THE NEAR RIGOR CONFORMATION
Descriptor:MYOSIN HEAVY CHAIN, STRIATED MUSCLE, MYOSIN REGULATORY LIGHT CHAIN, ...
Authors:Himmel, D.M., Gourinath, S., Reshetnikova, L., Shen, Y., Szent-Gyorgyi, A.G., Cohen, C.
Deposit date:2001-12-06
Release date:2002-10-09
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystallographic findings on the internally uncoupled and near-rigor states of myosin: further insights into the mechanics of the motor.
Proc.Natl.Acad.Sci.USA, 99, 2002
1KQM
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SCALLOP MYOSIN S1-AMPPNP IN THE ACTIN-DETACHED CONFORMATION
Descriptor:MYOSIN heavy chain, MYOSIN REGULATORY LIGHT CHAIN, MYOSIN ESSENTIAL LIGHT CHAIN, ...
Authors:Himmel, D.M., Gourinath, S., Reshetnikova, L., Shen, Y., Szent-Gyorgyi, G., Cohen, C.
Deposit date:2002-01-07
Release date:2002-11-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic findings on the internally uncoupled and near-rigor states of myosin: Further insights into the mechanics of the motor
Proc.Natl.Acad.Sci.USA, 99, 2002
1KWO
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SCALLOP MYOSIN S1-ATPGAMMAS-P-PDM IN THE ACTIN-DETACHED CONFORMATION
Descriptor:MYOSIN HEAVY CHAIN, MYOSIN REGULATORY LIGHT CHAIN, MYOSIN ESSENTIAL LIGHT CHAIN, ...
Authors:Himmel, D.M., Gourinath, S., Reshetnikova, L., Shen, Y., Szent-Gyorgyi, G., Cohen, C.
Deposit date:2002-01-30
Release date:2002-11-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystallographic findings on the internally uncoupled and near-rigor states of myosin: Further insights into the mechanics of the motor
Proc.Natl.Acad.Sci.USA, 99, 2002
3JTD
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CALCIUM-FREE SCALLOP MYOSIN REGULATORY DOMAIN WITH ELC-D19A POINT MUTATION
Descriptor:Myosin heavy chain, striated adductor muscle, Myosin regulatory light chain, ...
Authors:Himmel, D.M., Mui, S., O'Neall-Hennessey, E., Szent-Gyorgyi, A., Cohen, C.
Deposit date:2009-09-11
Release date:2009-12-01
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The on-off switch in regulated myosins: different triggers but related mechanisms.
J.Mol.Biol., 394, 2009
3JVT
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CALCIUM-BOUND SCALLOP MYOSIN REGULATORY DOMAIN (LEVER ARM) WITH RECONSTITUTED COMPLETE LIGHT CHAINS
Descriptor:Myosin heavy chain, striated adductor muscle, Myosin regulatory light chain, ...
Authors:Himmel, D.M., Mui, S., O'Neall-Hennessey, E., Szent-Gyorgyi, A., Cohen, C.
Deposit date:2009-09-17
Release date:2009-12-01
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The on-off switch in regulated myosins: different triggers but related mechanisms.
J.Mol.Biol., 394, 2009
4WR2
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CRYSTAL STRUCTURE OF A PUTATIVE PYRIMIDINE-SPECIFIC RIBONUCLEOSIDE HYDROLASE (RIHA) PROTEIN FROM SHEWANELLA LOIHICA PV-4 (SHEW_0697, TARGET PSI-029635) WITH DIVALENT CATION AND PEG 400 BOUND AT THE ACTIVE SITE
Descriptor:Pyrimidine-specific ribonucleoside hydrolase RihA, CALCIUM ION, PENTAETHYLENE GLYCOL
Authors:Himmel, D.M., Bhosle, R., Toro, R., Hillerich, B., Gizzi, A., Garforth, S., Kar, A., Chan, M.K., Lafluer, J., Patel, H., Matikainen, B., Chamala, S., Lim, S., Celikgil, A., Villegas, G., Evans, B., Love, J., Fiser, A., Seidel, R.D., Bonanno, J.B., Almo, S.C., New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-10-22
Release date:2014-11-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site
To be published
5DK6
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CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH) NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION
Descriptor:5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, GLYCINE, ADENINE
Authors:Himmel, D.M., Bhosle, R., Toro, R., Ahmed, M., Hillerich, B., Gizzi, A., Garforth, S., Kar, A., Chan, M.K., Lafluer, J., Patel, H., Matikainen, B., Chamala, S., Lim, S., Celikgil, A., Villegas, G., Evans, B., Love, J., Fiser, A., Seidel, R.D., Bonanno, J.B., Almo, S.C., New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2015-09-03
Release date:2015-11-04
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH)NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION
To be published
5HFK
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CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCH 157:H7 STR. SAKAI (ECS3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE
Descriptor:Disulfide-bond oxidoreductase YfcG, GLUTATHIONE
Authors:Himmel, D.M., Toro, R., Al Obaidi, N.F., Morisco, L.L., Wasserman, S.R., Stead, M., Attonito, J.D., Scott Glenn, A., Chamala, S., Chowdhury, S., Lafleur, J., Evans, B., Hillerich, B., Love, J., Seidel, R.D., Whalen, K.L., Gerlt, J.A., Almo, S.C., Enzyme Function Initiative (EFI), New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2016-01-07
Release date:2016-02-10
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCh 157:H7 STR. SAKAI (ECs3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE
TO BE PUBLISHED
3QLH
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HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH MANICOL AT THE RNASE H ACTIVE SITE AND TMC278 (RILPIVIRINE) AT THE NNRTI BINDING POCKET
Descriptor:reverse transcriptase/ribonuclease H, (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Himmel, D.M., Wojtak, K., Bauman, J.D., Arnold, E.
Deposit date:2011-02-02
Release date:2011-12-21
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
3K2P
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HIV-1 REVERSE TRANSCRIPTASE ISOLATED RNASEH DOMAIN WITH THE INHIBITOR BETA-THUJAPLICINOL BOUND AT THE ACTIVE SITE
Descriptor:Reverse Transcriptase, MANGANESE (II) ION, 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one
Authors:Pauly, T.A., Himmel, D.M., Maegley, K., Arnold, E.
Deposit date:2009-09-30
Release date:2010-02-09
Last modified:2011-07-13
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
1S5G
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STRUCTURE OF SCALLOP MYOSIN S1 REVEALS A NOVEL NUCLEOTIDE CONFORMATION
Descriptor:Myosin heavy chain, striated muscle, Myosin regulatory light chain, ...
Authors:Risal, D., Gourinath, S., Himmel, D.M., Szent-Gyorgyi, A.G., Cohen, C.
Deposit date:2004-01-20
Release date:2004-06-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Myosin subfragment 1 structures reveal a partially bound nucleotide and a complex salt bridge that helps couple nucleotide and actin binding.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1SR6
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STRUCTURE OF NUCLEOTIDE-FREE SCALLOP MYOSIN S1
Descriptor:Myosin heavy chain, striated muscle, Myosin regulatory light chain, ...
Authors:Risal, D., Gourinath, S., Himmel, D.M., Szent-Gyorgyi, A.G., Cohen, C.
Deposit date:2004-03-22
Release date:2004-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Myosin subfragment 1 structures reveal a partially bound nucleotide and a complex salt bridge that helps couple nucleotide and actin binding.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1QVI
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CRYSTAL STRUCTURE OF SCALLOP MYOSIN S1 IN THE PRE-POWER STROKE STATE TO 2.6 ANGSTROM RESOLUTION: FLEXIBILITY AND FUNCTION IN THE HEAD
Descriptor:Myosin heavy chain, striated muscle, Myosin regulatory light chain, ...
Authors:Gourinath, S., Himmel, D.M., Brown, J.H., Reshetnikova, L., Szent-Gyrgyi, A.G., Cohen, C.
Deposit date:2003-08-27
Release date:2003-12-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Crystal structure of scallop Myosin s1 in the pre-power stroke state to 2.6 a resolution: flexibility and function in the head.
Structure, 11, 2003
2OTG
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RIGOR-LIKE STRUCTURES OF MUSCLE MYOSINS REVEAL KEY MECHANICAL ELEMENTS IN THE TRANSDUCTION PATHWAYS OF THIS ALLOSTERIC MOTOR
Descriptor:Myosin heavy chain, Myosin regulatory light chain, Myosin essential light chain, ...
Authors:Yang, Y., Gourinath, S., Kovacs, M., Nyitray, L., Reutzel, R., Himmel, D.M., O'Neall-Hennessey, E., Reshetnikova, L., Szent-Gyorgyi, A.G., Brown, J.H., Cohen, C.
Deposit date:2007-02-08
Release date:2007-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Rigor-like Structures from Muscle Myosins Reveal Key Mechanical Elements in the Transduction Pathways of This Allosteric Motor.
Structure, 15, 2007
3DLK
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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
3I5F
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CRYSTAL STRUCTURE OF SQUID MG.ADP MYOSIN S1
Descriptor:Myosin heavy chain isoform A, Myosin regulatory light chain LC-2, mantle muscle, ...
Authors:Yang, Y., Gourinath, S., Kovacs, M., Nyitray, L., Reutzel, R., Himmel, D.M., O'Neall-Hennessey, E., Reshetnikova, L., Szent-Gyorgyi, A.G., Brown, J.H., Cohen, C.
Deposit date:2009-07-05
Release date:2009-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Rigor-like structures from muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor.
Structure, 15, 2007
3I5G
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CRYSTAL STRUCTURE OF RIGOR-LIKE SQUID MYOSIN S1
Descriptor:Myosin heavy chain isoform A, Myosin regulatory light chain LC-2, mantle muscle, ...
Authors:Yang, Y., Gourinath, S., Kovacs, M., Nyitray, L., Reutzel, R., Himmel, D.M., O'Neall-Hennessey, E., Reshetnikova, L., Szent-Gyorgyi, A.G., Brown, J.H., Cohen, C.
Deposit date:2009-07-05
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Rigor-like structures from muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor.
Structure, 15, 2007
3I5H
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THE CRYSTAL STRUCTURE OF RIGOR LIKE SQUID MYOSIN S1 IN THE ABSENCE OF NUCLEOTIDE
Descriptor:Myosin heavy chain isoform A, Myosin regulatory light chain LC-2, mantle muscle, ...
Authors:Yang, Y., Gourinath, S., Kovacs, M., Nyitray, L., Reutzel, R., Himmel, D.M., O'Neall-Hennessey, E., Reshetnikova, L., Szent-Gyorgyi, A.G., Brown, J.H., Cohen, C.
Deposit date:2009-07-05
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Rigor-like structures from muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor.
Structure, 15, 2007
3I5I
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THE CRYSTAL STRUCTURE OF SQUID MYOSIN S1 IN THE PRESENCE OF SO4 2-
Descriptor:Myosin heavy chain isoform A, Myosin regulatory light chain LC-2, mantle muscle, ...
Authors:Yang, Y., Gourinath, S., Kovacs, M., Nyitray, L., Reutzel, R., Himmel, D.M., O'Neall-Hennessey, E., Reshetnikova, L., Szent-Gyorgyi, A.G., Brown, J.H., Cohen, C.
Deposit date:2009-07-05
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Rigor-like structures from muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor.
Structure, 15, 2007
2B5J
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R165481
Descriptor:Reverse transcriptase P66 SUBUNIT, Reverse transcriptase P51 SUBUNIT, MANGANESE (II) ION, ...
Authors:Himmel, D.H., Das, K., Clark Jr., A.D., Hughes, S.H., Benjahad, A., Oumouch, S., Guillemont, J., Coupa, S., Poncelet, A., Csoka, I., Meyer, C., Andries, K., Mguyen, C.H., Grierson, D.S., Arnold, E.
Deposit date:2005-09-28
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains.
J.Med.Chem., 48, 2005
1KK8
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SCALLOP MYOSIN (S1-ADP-BEFX) IN THE ACTIN-DETACHED CONFORMATION
Descriptor:Myosin Heavy Chain, Striated muscle, Myosin Regulatory Light Chain, ...
Authors:Himmel, M., Gourinath, S., Reshetnikova, L., Shen, Y., Szent-Gyorgyi, G., Cohen, C.
Deposit date:2001-12-06
Release date:2002-10-09
Last modified:2016-06-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic findings on the internally uncoupled and near-rigor states of myosin: further insights into the mechanics of the motor.
Proc.Natl.Acad.Sci.USA, 99, 2002
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