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4QAG
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BU of 4qag by Molmil
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
2I5J
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BU of 2i5j by Molmil
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
5HFK
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BU of 5hfk by Molmil
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
2BE2
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BU of 2be2 by Molmil
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
1KK7
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BU of 1kk7 by Molmil
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
1KQM
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BU of 1kqm by Molmil
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
1KWO
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BU of 1kwo by Molmil
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
5DK6
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BU of 5dk6 by Molmil
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
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
3IG1
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BU of 3ig1 by Molmil
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
4WR2
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BU of 4wr2 by Molmil
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:2023-12-27
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
3JTD
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BU of 3jtd by Molmil
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
3JVT
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BU of 3jvt by Molmil
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
3QLH
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BU of 3qlh by Molmil
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
3K2P
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BU of 3k2p by Molmil
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
1S5G
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BU of 1s5g by Molmil
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
1SR6
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BU of 1sr6 by Molmil
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
2OTG
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BU of 2otg by Molmil
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
3DLK
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BU of 3dlk by Molmil
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
1QVI
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BU of 1qvi by Molmil
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
3I5H
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BU of 3i5h by Molmil
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
3I5F
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BU of 3i5f by Molmil
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
3I5G
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BU of 3i5g by Molmil
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
3I5I
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BU of 3i5i by Molmil
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
2B5J
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BU of 2b5j by Molmil
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
1KK8
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BU of 1kk8 by Molmil
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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