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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
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
5LQC
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BU of 5lqc by Molmil
Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
Descriptor: Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
Authors:Ehler, A, Ellermann, M, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-16
Release date:2016-08-31
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:no title yet
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
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
5LQU
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BU of 5lqu by Molmil
Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-[6-(ethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Lerner, C, Ellermann, M, Rudolph, M.G.
Deposit date:2016-08-17
Release date:2016-10-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-[6-(ethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
To be published
5LQA
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BU of 5lqa by Molmil
rat catechol O-methyltransferase at high pH in complex with a bisubstrate inhibitor
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Ellermann, M, Rudolph, M.G.
Deposit date:2016-08-16
Release date:2016-10-05
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:rat catechol O-methyltransferase at high pH in complex with a bisubstrate inhibitor
To be published
5LDZ
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BU of 5ldz by Molmil
Quadruple space group ambiguity due to rotational and translational non-crystallographic symmetry in human liver fructose-1,6-bisphosphatase
Descriptor: CHLORIDE ION, Fructose-1,6-bisphosphatase 1, SULFATE ION, ...
Authors:Ruf, A, Tetaz, T, Schott, B, Joseph, C, Rudolph, M.G.
Deposit date:2016-06-29
Release date:2016-10-26
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Quadruple space-group ambiguity owing to rotational and translational noncrystallographic symmetry in human liver fructose-1,6-bisphosphatase.
Acta Crystallogr D Struct Biol, 72, 2016
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
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal Structure of COMT
To be published
5LR6
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BU of 5lr6 by Molmil
Crystal Structure of COMT in complex with [3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-18
Release date:2016-08-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of COMT in complex with [3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
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
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:human catechol O-methyltransferase in complex with SAM and DNC at 1.50A
To Be Published
5LQJ
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BU of 5lqj by Molmil
Crystal Structure of COMT in complex with 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole
Descriptor: 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-17
Release date:2016-09-28
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Crystal Structure of COMT in complex with 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole
To be published
5M6Q
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BU of 5m6q by Molmil
Crystal Structure of Kutzneria albida transglutaminase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, TETRAETHYLENE GLYCOL, ...
Authors:Steffen, W, Benz, J, Rudolph, M.G.
Deposit date:2016-10-25
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of a microbial transglutaminase enabling highly site-specific labeling of proteins.
J. Biol. Chem., 292, 2017
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
4NSY
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BU of 4nsy by Molmil
Wild-type lysobacter enzymogenes lysc endoproteinase covalently inhibited by TLCK
Descriptor: CALCIUM ION, CHLORIDE ION, Lysyl endopeptidase, ...
Authors:Asztalos, P, Muller, A, Holke, W, Sobek, H, Rudolph, M.G.
Deposit date:2013-11-29
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic resolution structure of a lysine-specific endoproteinase from Lysobacter enzymogenes suggests a hydroxyl group bound to the oxyanion hole.
Acta Crystallogr.,Sect.D, 70, 2014
4NSV
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BU of 4nsv by Molmil
Lysobacter enzymogenes lysc endoproteinase K30R mutant covalently inhibited by TLCK
Descriptor: CHLORIDE ION, Lysyl endopeptidase, N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (Bound Form), ...
Authors:Asztalos, P, Muller, A, Holke, W, Sobek, H, Rudolph, M.G.
Deposit date:2013-11-29
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Atomic resolution structure of a lysine-specific endoproteinase from Lysobacter enzymogenes suggests a hydroxyl group bound to the oxyanion hole.
Acta Crystallogr.,Sect.D, 70, 2014
4P7F
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BU of 4p7f by Molmil
Mouse apo-COMT
Descriptor: Catechol O-methyltransferase, HYDROGENPHOSPHATE ION, PHOSPHATE ION, ...
Authors:Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
Deposit date:2014-03-27
Release date:2014-06-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4P7K
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BU of 4p7k by Molmil
Rat COMT in complex with sinefungin
Descriptor: ACETATE ION, Catechol O-methyltransferase, L(+)-TARTARIC ACID, ...
Authors:Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
Deposit date:2014-03-27
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4P7J
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BU of 4p7j by Molmil
Rat apo-COMT sulfate bound
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:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4P7G
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BU of 4p7g by Molmil
Rat apo-COMT, phosphate bound
Descriptor: Catechol O-methyltransferase, PHOSPHATE ION, POTASSIUM ION
Authors:Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
Deposit date:2014-03-27
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4PYJ
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BU of 4pyj by Molmil
human apo-COMT, single 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 (1.9 Å)
Cite:Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4PYO
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BU of 4pyo by Molmil
Humanized rat COMT bound to SAH, semi-holo form
Descriptor: Catechol O-methyltransferase, MAGNESIUM ION, 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 (2.1 Å)
Cite:Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4PYQ
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BU of 4pyq by Molmil
Humanized rat apo-COMT in complex with a ureido-benzamidine
Descriptor: 4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide, ACETATE ION, CHLORIDE 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 (1.39 Å)
Cite:Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
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

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