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4AFU
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BU of 4afu by Molmil
Human Chymase - Fynomer Complex
Descriptor: CHYMASE, FYNOMER
Authors:Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M.
Deposit date:2012-01-23
Release date:2012-07-11
Last modified:2012-08-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain.
Mabs, 4, 2012
4AFS
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BU of 4afs by Molmil
Human Chymase - Fynomer Complex
Descriptor: CHYMASE, FYNOMER, GLYCEROL, ...
Authors:Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M.
Deposit date:2012-01-23
Release date:2012-07-11
Last modified:2012-08-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain.
Mabs, 4, 2012
4AFZ
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BU of 4afz by Molmil
Human Chymase - Fynomer Complex
Descriptor: CHYMASE, D(-)-TARTARIC ACID, FYNOMER
Authors:Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M.
Deposit date:2012-01-23
Release date:2012-07-11
Last modified:2012-08-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain.
Mabs, 4, 2012
4AFQ
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BU of 4afq by Molmil
Human Chymase - Fynomer Complex
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHYMASE, CITRATE ANION, ...
Authors:Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M.
Deposit date:2012-01-23
Release date:2012-07-11
Last modified:2012-08-15
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain.
Mabs, 4, 2012
4AG1
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BU of 4ag1 by Molmil
Human Chymase - Fynomer Complex
Descriptor: CHYMASE, FYNOMER, SULFATE ION
Authors:Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M.
Deposit date:2012-01-23
Release date:2012-07-11
Last modified:2012-08-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain.
Mabs, 4, 2012
4AG2
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BU of 4ag2 by Molmil
Human Chymase - Fynomer Complex
Descriptor: (2S)-2-hydroxybutanedioic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHYMASE, ...
Authors:Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M.
Deposit date:2012-01-23
Release date:2012-07-11
Last modified:2012-08-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain.
Mabs, 4, 2012
2BIU
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BU of 2biu by Molmil
Crystal structure of human cyclophilin D at 1.7 A resolution, DMSO complex
Descriptor: DIMETHYL SULFOXIDE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Hennig, M, Thoma, R, Stihle, M, Schlatter, D.
Deposit date:2005-01-26
Release date:2005-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal Engineering Yields Crystals of Cyclophilin D Diffracting to 1.7 A Resolution
Acta Crystallogr.,Sect.D, 61, 2005
2BIT
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BU of 2bit by Molmil
Crystal structure of human cyclophilin D at 1.7 A resolution
Descriptor: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Hennig, M, Thoma, R, Stihle, M, Schlatter, D.
Deposit date:2005-01-26
Release date:2005-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal Engineering Yields Crystals of Cyclophilin D Diffracting to 1.7 A Resolution
Acta Crystallogr.,Sect.D, 61, 2005
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:2024-02-28
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:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
2BOK
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BU of 2bok by Molmil
Factor Xa - cation
Descriptor: COAGULATION FACTOR X, SODIUM ION, [AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM
Authors:Morgenthaler, M, Schaerer, K, Paulini, R, Obst-Sander, U, Banner, D.W, Schlatter, D, Benz, J, Stihle, M, Diederich, F.
Deposit date:2005-04-12
Release date:2005-06-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Quantification of Cation-Pi Interactions in Protein-Ligand Complexes: Crystal-Structure Analysis of Factor Xa Bound to a Quaternary Ammonium Ion Ligand
Angew.Chem.Int.Ed.Engl., 44, 2005
3FEI
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BU of 3fei by Molmil
Design and biological evaluation of novel, balanced dual PPARa/g agonists
Descriptor: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peptide motif 5 of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
Authors:Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M, Schlatter, D.
Deposit date:2008-11-30
Release date:2009-10-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
3G8I
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BU of 3g8i by Molmil
Aleglitazar, a new, potent, and balanced PPAR alpha/gamma agonist for the treatment of type II diabetes
Descriptor: (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
Authors:Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puentener, K, Raab, S, Ruf, A, Schlatter, D, Gsell, B, Stihle, M, Mohr, P.
Deposit date:2009-02-12
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes.
Bioorg.Med.Chem.Lett., 19, 2009
3G9E
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BU of 3g9e by Molmil
Aleglitaar. a new. potent, and balanced dual ppara/g agonist for the treatment of type II diabetes
Descriptor: (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Ruf, A, Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puenterner, K, Raab, S, Schlatter, D, Gsell, B, Stihle, M, Mohr, P.
Deposit date:2009-02-13
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes.
Bioorg.Med.Chem.Lett., 19, 2009
3HVH
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BU of 3hvh by Molmil
Rat catechol O-methyltransferase in complex with a catechol-type, N6-methyladenine-containing bisubstrate inhibitor
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
Deposit date:2009-06-16
Release date:2009-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor.
Angew.Chem.Int.Ed.Engl., 48, 2009
3HVI
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BU of 3hvi by Molmil
Rat catechol O-methyltransferase in complex with a catechol-type, N6-ethyladenine-containing bisubstrate inhibitor
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
Deposit date:2009-06-16
Release date:2009-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor.
Angew.Chem.Int.Ed.Engl., 48, 2009
3HVJ
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BU of 3hvj by Molmil
Rat catechol O-methyltransferase in complex with a catechol-type, N6-propyladenine-containing bisubstrate inhibitor
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
Deposit date:2009-06-16
Release date:2009-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor.
Angew.Chem.Int.Ed.Engl., 48, 2009
3HVK
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BU of 3hvk by Molmil
Rat catechol O-methyltransferase in complex with a catechol-type, purine-containing bisubstrate inhibitor - humanized form
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:2009-06-16
Release date:2009-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor.
Angew.Chem.Int.Ed.Engl., 48, 2009
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:2024-03-20
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:2024-03-20
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:2024-03-20
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
3OZS
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BU of 3ozs by Molmil
Rat catechol O-methyltransferase in complex with a catechol-type, trifluoromethyl-imidazolyl-containing inhibitor - humanized form
Descriptor: Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-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:2024-03-20
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
3OZR
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BU of 3ozr by Molmil
Rat catechol O-methyltransferase in complex with a catechol-type, bisubstrate inhibitor, no substituent in the adenine site - humanized form
Descriptor: CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
Deposit date:2010-09-27
Release date:2011-03-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011

217705

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