2EW8
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2EWM
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2YC3
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![BU of 2yc3 by Molmil](/molmil-images/mine/2yc3) | Inhibitors of the herbicidal target IspD | 分子名称: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one, ... | 著者 | Hoeffken, H.W. | 登録日 | 2011-03-11 | 公開日 | 2011-08-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding. Angew.Chem.Int.Ed.Engl., 50, 2011
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4A3U
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2YCM
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![BU of 2ycm by Molmil](/molmil-images/mine/2ycm) | Inhibitors of herbicidal target IspD | 分子名称: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-BENZYL-5-CHLORO-7-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID, ... | 著者 | Hoeffken, H.W. | 登録日 | 2011-03-16 | 公開日 | 2011-08-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding. Angew.Chem.Int.Ed.Engl., 50, 2011
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2YC5
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![BU of 2yc5 by Molmil](/molmil-images/mine/2yc5) | Inhibitors of the herbicidal target IspD | 分子名称: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ... | 著者 | Hoeffken, H.W. | 登録日 | 2011-03-11 | 公開日 | 2011-08-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding. Angew.Chem.Int.Ed.Engl., 50, 2011
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2FES
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![BU of 2fes by Molmil](/molmil-images/mine/2fes) | Orally active thrombin inhibitors | 分子名称: | Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ... | 著者 | Hoeffken, H.W. | 登録日 | 2005-12-16 | 公開日 | 2006-05-09 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety. Bioorg.Med.Chem.Lett., 16, 2006
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1CHM
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![BU of 1chm by Molmil](/molmil-images/mine/1chm) | ENZYMATIC MECHANISM OF CREATINE AMIDINOHYDROLASE AS DEDUCED FROM CRYSTAL STRUCTURES | 分子名称: | CARBAMOYL SARCOSINE, CREATINE AMIDINOHYDROLASE | 著者 | Hoeffken, H.W, Knof, S.H, Bartlett, P.A, Huber, R, Moellering, H, Schumacher, G. | 登録日 | 1993-07-19 | 公開日 | 1994-04-30 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Enzymatic mechanism of creatine amidinohydrolase as deduced from crystal structures. J.Mol.Biol., 214, 1990
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1O0D
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![BU of 1o0d by Molmil](/molmil-images/mine/1o0d) | Human Thrombin complexed with a d-Phe-Pro-Arg-type Inhibitor and a C-terminal Hirudin derived exo-site inhibitor | 分子名称: | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID, Decapeptide Hirudin Analogue, Thrombin heavy chain, ... | 著者 | Lange, U.E, Bauke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | 登録日 | 2003-02-21 | 公開日 | 2003-10-14 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | D-Phe-Pro-Arg type thrombin inhibitors: unexpected selectivity by modification of the P1 moiety Bioorg.Med.Chem.Lett., 13, 2003
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2A2X
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![BU of 2a2x by Molmil](/molmil-images/mine/2a2x) | Orally Active Thrombin Inhibitors in Complex with Thrombin Inh12 | 分子名称: | N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE, Thrombin heavy chain, Thrombin light chain, ... | 著者 | Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | 登録日 | 2005-06-23 | 公開日 | 2006-11-14 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety BIOORG.MED.CHEM.LETT., 16, 2006
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2ANM
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![BU of 2anm by Molmil](/molmil-images/mine/2anm) | Ternary complex of an orally active thrombin inhibitor with human thrombin and a c-terminal hirudin derived exo-sit inhibitor | 分子名称: | 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACID, thrombin | 著者 | Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | 登録日 | 2005-08-11 | 公開日 | 2006-06-13 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety Bioorg.Med.Chem.Lett., 16, 2006
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2ANK
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![BU of 2ank by Molmil](/molmil-images/mine/2ank) | orally active thrombin inhibitors in complex with thrombin and an exosite decapeptide | 分子名称: | N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE, Thrombin heavy chain, Thrombin light chain, ... | 著者 | Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | 登録日 | 2005-08-11 | 公開日 | 2006-11-14 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety BIOORG.MED.CHEM.LETT., 16, 2006
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1NZQ
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![BU of 1nzq by Molmil](/molmil-images/mine/1nzq) | D-Phe-Pro-Arg-Type Thrombin Inhibitor | 分子名称: | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID, Decapeptide Hirudin Analogue, Thrombin heavy chain, ... | 著者 | Lange, U.E, Bauke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | 登録日 | 2003-02-19 | 公開日 | 2003-10-14 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | D-Phe-Pro-Arg type thrombin inhibitors: unexpected selectivity by modification of the P1 moiety Bioorg.Med.Chem.Lett., 13, 2003
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2FEQ
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![BU of 2feq by Molmil](/molmil-images/mine/2feq) | orally active thrombin inhibitors | 分子名称: | Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ... | 著者 | Mack, H, Baucke, D, Hornberger, W, Lange, U.E.W, Hoeffken, H.W. | 登録日 | 2005-12-16 | 公開日 | 2006-08-08 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety Bioorg.Med.Chem.Lett., 16, 2006
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3ZN2
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![BU of 3zn2 by Molmil](/molmil-images/mine/3zn2) | protein engineering of halohydrin dehalogenase | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETATE ION, HALOHYDRIN DEHALOGENASE, ... | 著者 | Schallmey, M, Jekel, P, Tang, L, Majeric-Elenkov, M, Hoeffken, H.W, Hauer, B, Janssen, D.B. | 登録日 | 2013-02-13 | 公開日 | 2014-03-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Single Point Mutation Enhances Hydroxynitrile Synthesis by Halohydrin Dehalogenase. Enzyme.Microb.Technol., 70, 2015
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4URE
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![BU of 4ure by Molmil](/molmil-images/mine/4ure) | Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1 | 分子名称: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, CYCLOHEXANOL DEHYDROGENASE, ... | 著者 | Buesing, I, Hoeffken, H.W, Breuer, M, Woehlbrand, L, Hauer, B, Rabus, R. | 登録日 | 2014-06-28 | 公開日 | 2015-07-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum Aromaticum' Ebn1. J.Mol.Microbiol.Biotechnol., 25, 2015
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4URF
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![BU of 4urf by Molmil](/molmil-images/mine/4urf) | Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1 | 分子名称: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, BICARBONATE ION, ... | 著者 | Buesing, I, Hoeffken, H.W, Breuer, M, Woehlbrand, L, Hauer, B, Rabus, R. | 登録日 | 2014-06-28 | 公開日 | 2015-07-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum Aromaticum' Ebn1. J.Mol.Microbiol.Biotechnol., 25, 2015
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1ETS
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1ETT
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1ETR
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![BU of 1etr by Molmil](/molmil-images/mine/1etr) | REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS | 分子名称: | EPSILON-THROMBIN, amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium | 著者 | Bode, W, Brandstetter, H. | 登録日 | 1992-07-06 | 公開日 | 1994-01-31 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics. J.Mol.Biol., 226, 1992
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1PPC
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![BU of 1ppc by Molmil](/molmil-images/mine/1ppc) | GEOMETRY OF BINDING OF THE BENZAMIDINE-AND ARGININE-BASED INHIBITORS N-ALPHA-(2-NAPHTHYL-SULPHONYL-GLYCYL)-DL-P-AMIDINOPHENYLALANYL-PIPERIDINE (NAPAP) AND (2R,4R)-4-METHYL-1-[N-ALPHA-(3-METHYL-1,2,3,4-TETRAHYDRO-8-QUINOLINESULPHONYL)-L-ARGINYL]-2-PIPERIDINE CARBOXYLIC ACID (MQPA) TO HUMAN ALPHA-THROMBIN: X-RAY CRYSTALLOGRAPHIC DETERMINATION OF THE NAPAP-TRYPSIN COMPLEX AND MODELING OF NAPAP-THROMBIN AND MQPA-THROMBIN | 分子名称: | 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, CALCIUM ION, TRYPSIN | 著者 | Bode, W, Turk, D. | 登録日 | 1991-10-24 | 公開日 | 1994-01-31 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Geometry of binding of the benzamidine- and arginine-based inhibitors N alpha-(2-naphthyl-sulphonyl-glycyl)-DL-p-amidinophenylalanyl-pipe ridine (NAPAP) and (2R,4R)-4-methyl-1-[N alpha-(3-methyl-1,2,3,4-tetrahydr quinolinesulphonyl)-L-arginyl]-2-piperidine carboxylic acid (MQPA) to human alpha-thrombin.X-ray crystallographic determination of the NAPAP-trypsin complex and modeling of NAPAP-thrombin and MQPA-thrombin. Eur.J.Biochem., 193, 1990
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1PPB
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