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PDB: 49 件
3QQP
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Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Urea Inhibitor
分子名称: 3,4-dihydroquinolin-1(2H)-yl[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Loenze, P, Schimanski-Breves, S, Engel, C.K.
登録日2011-02-16
公開日2012-02-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11beta-hydroxysteroid-dehydrogenase type 1.
Bioorg.Med.Chem.Lett., 21, 2011
4HX5
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Crystal structure of 11 beta-HSD1 in complex with SAR184841
分子名称: 4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-N-[(1R,2S,3S,5S,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2H)-carboxamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Loenze, P, Schimanski-Breves, S, Engel, C.K.
登録日2012-11-09
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Discovery of SAR184841, a potent and long-lasting inhibitor of 11beta-hydroxysteroid dehydrogenase type 1, active in a physiopathological animal model of T2D
Bioorg.Med.Chem.Lett., 23, 2013
4K26
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4,4-Dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 -HSD1 inhibitors for the treatment of diabetes
分子名称: (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Loenze, P, Schimanski-Breves, S, Vonderheyden, C, Engel, C.K.
登録日2013-04-08
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11-HSD1 inhibitors for the treatment of diabetes.
Bioorg.Med.Chem.Lett., 23, 2013
4K1L
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4,4-Dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 beta-HSD1 inhibitors for the treatment of diabetes
分子名称: (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Loenze, P, Schimanski-Breves, S, Von der Heyden, C, Engel, C.K.
登録日2013-04-05
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11-HSD1 inhibitors for the treatment of diabetes.
Bioorg.Med.Chem.Lett., 23, 2013
3CEJ
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BU of 3cej by Molmil
Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE2865
分子名称: 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid, Glycogen phosphorylase, liver form, ...
著者Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D.
登録日2008-02-29
公開日2008-05-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors.
Biochemistry, 47, 2008
3CEM
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Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE9423
分子名称: 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Glycogen phosphorylase, liver form, ...
著者Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D.
登録日2008-02-29
公開日2008-05-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors.
Biochemistry, 47, 2008
3CEH
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Human liver glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE5688
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid, Glycogen phosphorylase, ...
著者Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D.
登録日2008-02-29
公開日2008-05-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors.
Biochemistry, 47, 2008
1LPK
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CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125.
分子名称: 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-BENZYLESTER, Blood coagulation factor Xa, CALCIUM ION
著者Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A.
登録日2002-05-08
公開日2003-05-08
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Med.Chem., 45, 2002
1LQD
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BU of 1lqd by Molmil
CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45.
分子名称: 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE, Blood coagulation factor Xa, CALCIUM ION
著者Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A.
登録日2002-05-10
公開日2003-05-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Med.Chem., 45, 2002
1BZS
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BU of 1bzs by Molmil
CRYSTAL STRUCTURE OF MMP8 COMPLEXED WITH HMR2909
分子名称: 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Schreuder, H, Brachvogel, V, Loenze, P.
登録日1998-11-04
公開日2000-05-31
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Quantitative structure-activity relationship of human neutrophil collagenase (MMP-8) inhibitors using comparative molecular field analysis and X-ray structure analysis.
J.Med.Chem., 42, 1999
3LFS
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BU of 3lfs by Molmil
Crystal structure of CDK2 with SAR37, an aminoindazole type inhibitor
分子名称: Cell division protein kinase 2, N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide
著者Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P.
登録日2010-01-18
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.
Bioorg.Med.Chem.Lett., 20, 2010
3LFQ
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BU of 3lfq by Molmil
Crystal structure of CDK2 with SAR60, an aminoindazole type inhibitor
分子名称: Cell division protein kinase 2, N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide
著者Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P.
登録日2010-01-18
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.
Bioorg.Med.Chem.Lett., 20, 2010
3LFN
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BU of 3lfn by Molmil
Crystal structure of CDK2 with SAR57, an aminoindazole type inhibitor
分子名称: Cell division protein kinase 2, N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide
著者Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P.
登録日2010-01-18
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.
Bioorg.Med.Chem.Lett., 20, 2010
5CGJ
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BU of 5cgj by Molmil
Crystal structure of murine Keap1 in complex with RA839, a non-covalent small-molecule binder to Keap1 and selective activator of Nrf2 signalling.
分子名称: (3S)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid, Kelch-like ECH-associated protein 1, SULFATE ION
著者Schimanski-Breves, S, Loenze, P, Engel, C.K.
登録日2015-07-09
公開日2015-10-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Characterization of RA839, a Noncovalent Small Molecule Binder to Keap1 and Selective Activator of Nrf2 Signaling.
J.Biol.Chem., 290, 2015
1O4P
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78791.
分子名称: 2-PHENYLMALONIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
1O4Q
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79256.
分子名称: PHENYL(SULFO)ACETIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
1O4J
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH ISO24.
分子名称: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
1O4D
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78262.
分子名称: 2-FORMYLPHENYL DIHYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
1O43
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82129.
分子名称: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, [4-((1Z)-2-(ACETYLAMINO)-3-{[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]AMINO}-3-OXOPROP-1-ENYL)-2-FORMYLPHENYL]ACET IC ACID
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
1O49
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85493.
分子名称: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, {4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENOXY}-ACETIC ACID
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
1O4G
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH DPI59.
分子名称: HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
1O4M
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH MALONICACID.
分子名称: MALONIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
1O4H
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79072.
分子名称: 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
1O4L
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH FRAGMENT2.
分子名称: CITRIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
1O45
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU84687.
分子名称: N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-O-PHOSPHONOTYROSINAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003

 

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