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PDB: 1000 results
4PYN
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BU of 4pyn by Molmil
Humanized rat COMT in complex with SAH
Descriptor: CHLORIDE ION, Catechol O-methyltransferase, POTASSIUM ION, ...
Authors:Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
Deposit date:2014-03-27
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4PYL
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BU of 4pyl by Molmil
Humanized rat COMT in complex with sinefungin, Mg2+, and tolcapone
Descriptor: Catechol O-methyltransferase, MAGNESIUM ION, SINEFUNGIN, ...
Authors:Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
Deposit date:2014-03-27
Release date:2014-06-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4PYK
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BU of 4pyk by Molmil
human COMT, double domain swap
Descriptor: CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
Deposit date:2014-03-27
Release date:2014-06-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4PYM
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BU of 4pym by Molmil
humanized rat apo-COMT bound to sulphate
Descriptor: Catechol O-methyltransferase, POTASSIUM ION, SULFATE ION
Authors:Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
Deposit date:2014-03-27
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4PYI
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BU of 4pyi by Molmil
human apo COMT
Descriptor: Catechol O-methyltransferase, SODIUM ION
Authors:Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
Deposit date:2014-03-27
Release date:2014-06-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
5LQR
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BU of 5lqr by Molmil
Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-(6-ethylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-17
Release date:2016-10-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-(6-ethylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
To be published
5LQN
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BU of 5lqn by Molmil
Crystal Structure of COMT in complex with 2-[(3-chlorophenoxy)methyl]-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
Descriptor: 2-[(3-chloranylphenoxy)methyl]-4-methyl-5-(1~{H}-pyrazol-5-yl)-1,3-thiazole, Catechol O-methyltransferase
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-17
Release date:2016-10-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal Structure of COMT in complex with 2-[(3-chlorophenoxy)methyl]-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
To be published
5LQK
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BU of 5lqk by Molmil
Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-[(4-methylphenyl)methyl]benzamide
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-17
Release date:2016-08-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal Structure of COMT
To be published
5LSA
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BU of 5lsa by Molmil
human catechol O-methyltransferase in complex with SAM and DNC at 1.50A
Descriptor: 3,5-DINITROCATECHOL, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-24
Release date:2016-09-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:human catechol O-methyltransferase in complex with SAM and DNC at 1.50A
To Be Published
3EAQ
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BU of 3eaq by Molmil
Novel dimerization motif in the DEAD box RNA helicase Hera form 2, complete dimer, symmetric
Descriptor: CHLORIDE ION, Heat resistant RNA dependent ATPase
Authors:Klostermeier, D, Rudolph, M.G.
Deposit date:2008-08-26
Release date:2008-12-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A novel dimerization motif in the C-terminal domain of the Thermus thermophilus DEAD box helicase Hera confers substantial flexibility.
Nucleic Acids Res., 37, 2009
3EAR
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BU of 3ear by Molmil
Novel dimerization motif in the DEAD box RNA helicase Hera: form 1, partial dimer
Descriptor: Hera
Authors:Klostermeier, D, Rudolph, M.G.
Deposit date:2008-08-26
Release date:2008-12-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A novel dimerization motif in the C-terminal domain of the Thermus thermophilus DEAD box helicase Hera confers substantial flexibility.
Nucleic Acids Res., 37, 2009
3EAS
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BU of 3eas by Molmil
Novel dimerization motif in the DEAD box RNA helicase Hera: form 1, complete dimer, asymmetric
Descriptor: Hera
Authors:Klostermeier, D, Rudolph, M.G.
Deposit date:2008-08-26
Release date:2008-12-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A novel dimerization motif in the C-terminal domain of the Thermus thermophilus DEAD box helicase Hera confers substantial flexibility.
Nucleic Acids Res., 37, 2009
2AFT
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BU of 2aft by Molmil
Formylglycine generating enzyme C336S mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Sulfatase modifying factor 1
Authors:Roeser, D, Rudolph, M.G.
Deposit date:2005-07-26
Release date:2005-12-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
2AFY
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BU of 2afy by Molmil
Formylglycine generating enzyme C341S mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Sulfatase modifying factor 1
Authors:Roeser, D, Rudolph, M.G.
Deposit date:2005-07-26
Release date:2005-12-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
2AII
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BU of 2aii by Molmil
wild-type Formylglycine generating enzyme reacted with iodoacetamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETAMIDE, CALCIUM ION, ...
Authors:Roeser, D, Rudolph, M.G.
Deposit date:2005-07-29
Release date:2005-12-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
3TRK
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BU of 3trk by Molmil
Structure of the Chikungunya virus nsP2 protease
Descriptor: Nonstructural polyprotein, SODIUM ION
Authors:Cheung, J, Franklin, M, Mancia, F, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Structure of the Chikungunya virus nsP2 protease
To be Published
2AIK
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BU of 2aik by Molmil
Formylglycine generating enzyme C336S mutant covalently bound to substrate peptide LCTPSRA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Roeser, D, Rudolph, M.G.
Deposit date:2005-07-29
Release date:2005-12-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
2AIJ
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BU of 2aij by Molmil
Formylglycine generating enzyme C336S mutant covalently bound to substrate peptide CTPSR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Roeser, D, Rudolph, M.G.
Deposit date:2005-07-29
Release date:2005-12-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
3NWB
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BU of 3nwb by Molmil
Rat COMT in complex with a fluorinated desoxyribose-containing bisubstrate inhibitor avoids hydroxyl group
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
Deposit date:2010-07-09
Release date:2011-08-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors
Acta Crystallogr.,Sect.D, 68, 2012
3R6T
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BU of 3r6t by Molmil
Rat catechol o-methyltransferase in complex with the bisubstrate inhibitor 4'-fluoro-4,5-dihydroxy-biphenyl-3-carboxylic acid {(E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-purin-9-yl)-tetrahydro-furan-2-yl]-allyl}-amide
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4'-fluoro-4,5-dihydroxy-N-{(2E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide, CHLORIDE ION, ...
Authors:Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
Deposit date:2011-03-22
Release date:2012-02-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors.
Acta Crystallogr.,Sect.D, 68, 2012
3S68
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BU of 3s68 by Molmil
Rat COMT in complex with SAM and Tolcapone at 1.85A, P3221, Rfree=22.0
Descriptor: CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
Deposit date:2011-05-25
Release date:2012-02-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors
Acta Crystallogr.,Sect.D, 68, 2012
3OE4
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BU of 3oe4 by Molmil
Rat catechol O-methyltransferase in complex with a catechol-type, purine-containing bisubstrate inhibitor - humanized form
Descriptor: Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
Authors:Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
Deposit date:2010-08-12
Release date:2011-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
3NW9
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BU of 3nw9 by Molmil
Rat COMT in complex with a methylpurin-containing bisubstrate inhibitor
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
Deposit date:2010-07-09
Release date:2011-03-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
3OE5
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BU of 3oe5 by Molmil
Rat catechol O-methyltransferase in complex with a catechol-type, pyridylsulfanyl-containing inhibitor - humanized form
Descriptor: Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5S)-3,4-dihydroxy-5-pyridin-4-ylsulfanyl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
Authors:Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
Deposit date:2010-08-12
Release date:2011-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
3OZT
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BU of 3ozt by Molmil
Rat catechol O-methyltransferase in complex with a catechol-type, 4-oxo-pyridinyl-containing inhibitor - humanized form
Descriptor: Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
Authors:Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
Deposit date:2010-09-27
Release date:2011-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011

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