3JVT
 
 | | Calcium-bound Scallop Myosin Regulatory Domain (Lever Arm) with Reconstituted Complete Light Chains | | Descriptor: | CALCIUM ION, MAGNESIUM ION, Myosin essential 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: | 2023-09-06 | | 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
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5DK6
 | | 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, ADENINE, GLYCINE | | 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 | | Last modified: | 2024-10-23 | | 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
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4QAG
 | | Structure of a dihydroxycoumarin active-site inhibitor in complex with the RNASE H domain of HIV-1 reverse transcriptase | | Descriptor: | (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H | | Authors: | Himmel, D.M, Ho, W.C, Arnold, E. | | Deposit date: | 2014-05-04 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | 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
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4WR2
 | | 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: | CALCIUM ION, PENTAETHYLENE GLYCOL, Pyrimidine-specific ribonucleoside hydrolase RihA | | 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: | 2024-10-30 | | 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
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2I5J
 | | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with DHBNH, an RNASE H inhibitor | | Descriptor: | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE, MAGNESIUM ION, Reverse transcriptase/ribonuclease H P51 subunit, ... | | 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: | 2023-08-30 | | 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
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2BE2
 | | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with R221239 | | Descriptor: | 4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-YLMETHYLSULFANYLMETHYL)-3-IODO-6-METHYLPYRIDIN-2(1H)-ONE, GLYCEROL, MANGANESE (II) ION, ... | | 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: | 2023-08-23 | | 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
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5HFK
 | | 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 | | Last modified: | 2023-09-27 | | 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
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1KK7
 | | SCALLOP MYOSIN IN THE NEAR RIGOR CONFORMATION | | Descriptor: | CALCIUM ION, MAGNESIUM ION, MYOSIN ESSENTIAL 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: | 2023-08-16 | | 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
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1KWO
 | | SCALLOP MYOSIN S1-ATPgammaS-p-PDM IN THE ACTIN-DETACHED CONFORMATION | | Descriptor: | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID, CALCIUM ION, MAGNESIUM ION, ... | | 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: | 2023-08-16 | | 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
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1KQM
 | | SCALLOP MYOSIN S1-AMPPNP IN THE ACTIN-DETACHED CONFORMATION | | Descriptor: | CALCIUM ION, MAGNESIUM ION, 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: | 2023-08-16 | | 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
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3IG1
 | | HIV-1 Reverse Transcriptase with the Inhibitor beta-Thujaplicinol Bound at the RNase H Active Site | | Descriptor: | 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, HIV-1 Reverse Transcriptase p51 subunit, HIV-1 Reverse Transcriptase p66 subunit, ... | | Authors: | Himmel, D.M, Maegley, K.A, Pauly, T.A, Arnold, E. | | Deposit date: | 2009-07-27 | | Release date: | 2010-01-26 | | Last modified: | 2023-09-06 | | 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
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3JTD
 | | Calcium-free Scallop Myosin Regulatory Domain with ELC-D19A Point Mutation | | Descriptor: | MAGNESIUM ION, Myosin essential light chain, striated adductor muscle, ... | | 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: | 2023-09-06 | | 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
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3QLH
 | | HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket | | Descriptor: | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 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: | 2024-03-13 | | 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
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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
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1S5G
 | | Structure of Scallop myosin S1 reveals a novel nucleotide conformation | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | | 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: | 2023-08-23 | | 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
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1SR6
 | | Structure of nucleotide-free scallop myosin S1 | | Descriptor: | CALCIUM ION, MAGNESIUM ION, Myosin essential 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: | 2023-08-23 | | 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
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1QVI
 | | Crystal structure of scallop myosin S1 in the pre-power stroke state to 2.6 Angstrom resolution: flexibility and function in the head | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | | 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: | 2023-08-16 | | 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
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2OTG
 | | Rigor-like structures of muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | | 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: | 2023-08-30 | | 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
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3DLK
 | | Crystal Structure of an engineered form of the HIV-1 Reverse Transcriptase, RT69A | | Descriptor: | Reverse transcriptase/ribonuclease H, SULFATE ION, p51 RT | | 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: | 2023-08-30 | | 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
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3I5F
 | | Crystal structure of squid MG.ADP myosin S1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin catalytic light chain LC-1, ... | | 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: | 2023-09-06 | | 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
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3I5G
 | | Crystal structure of rigor-like squid myosin S1 | | Descriptor: | CALCIUM ION, MALONATE ION, Myosin catalytic light chain LC-1, ... | | 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: | 2023-09-06 | | 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
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3I5I
 | | The crystal structure of squid myosin S1 in the presence of SO4 2- | | Descriptor: | CALCIUM ION, Myosin catalytic light chain LC-1, 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: | 2023-09-06 | | 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
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3I5H
 | | The crystal structure of rigor like squid myosin S1 in the absence of nucleotide | | Descriptor: | CALCIUM ION, Myosin catalytic light chain LC-1, 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: | 2023-09-06 | | 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
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2B5J
 | | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with JANSSEN-R165481 | | Descriptor: | (2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE, MANGANESE (II) ION, Reverse transcriptase P51 SUBUNIT, ... | | 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: | 2023-08-23 | | 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
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1KK8
 | | SCALLOP MYOSIN (S1-ADP-BeFx) IN THE ACTIN-DETACHED CONFORMATION | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, ... | | 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: | 2023-08-16 | | 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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