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2EWM
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BU of 2ewm by Molmil
Crystal Structure of the (S)-Specific 1-Phenylethanol Dehydrogenase of the Denitrifying Bacterium Strain EbN1
Descriptor: (S)-1-Phenylethanol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Hoeffken, H.W.
Deposit date:2005-11-04
Release date:2006-03-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure and Enzyme kinetics of the (S)-Specific 1-Phenylethanol Dehydrogenase of the denitrifying bacterium Strain EbN1
Biochemistry, 45, 2006
2EW8
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BU of 2ew8 by Molmil
Crystal Structure of the (S)-Specific 1-Phenylethanol Dehydrogenase of the Denitrifying Bacterium Strain EbN1
Descriptor: (S)-1-Phenylethanol dehydrogenase, SULFATE ION
Authors:Hoeffken, H.W.
Deposit date:2005-11-02
Release date:2006-03-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure and Enzyme kinetics of the (S)-Specific 1-Phenylethanol Dehydrogenase of the denitrifying bacterium Strain EbN1
Biochemistry, 45, 2006
2YC5
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BU of 2yc5 by Molmil
Inhibitors of the herbicidal target IspD
Descriptor: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ...
Authors:Hoeffken, H.W.
Deposit date:2011-03-11
Release date:2011-08-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
2YC3
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BU of 2yc3 by Molmil
Inhibitors of the herbicidal target IspD
Descriptor: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one, ...
Authors:Hoeffken, H.W.
Deposit date:2011-03-11
Release date:2011-08-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
2YCM
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BU of 2ycm by Molmil
Inhibitors of herbicidal target IspD
Descriptor: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-BENZYL-5-CHLORO-7-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID, ...
Authors:Hoeffken, H.W.
Deposit date:2011-03-16
Release date:2011-08-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
4A3U
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BU of 4a3u by Molmil
X-structure of the old yellow enzyme homologue from zymomonas mobilis (NCR)
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, NADH:FLAVIN OXIDOREDUCTASE/NADH OXIDASE, ...
Authors:Hoeffken, H.W.
Deposit date:2011-10-04
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure Determination and Mutagenesis Analysis of the Ene Reductase Ncr.
Chembiochem, 13, 2012
2FES
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BU of 2fes by Molmil
Orally active thrombin inhibitors
Descriptor: Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ...
Authors:Hoeffken, H.W.
Deposit date:2005-12-16
Release date:2006-05-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety.
Bioorg.Med.Chem.Lett., 16, 2006
1CHM
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BU of 1chm by Molmil
ENZYMATIC MECHANISM OF CREATINE AMIDINOHYDROLASE AS DEDUCED FROM CRYSTAL STRUCTURES
Descriptor: CARBAMOYL SARCOSINE, CREATINE AMIDINOHYDROLASE
Authors:Hoeffken, H.W, Knof, S.H, Bartlett, P.A, Huber, R, Moellering, H, Schumacher, G.
Deposit date:1993-07-19
Release date:1994-04-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enzymatic mechanism of creatine amidinohydrolase as deduced from crystal structures.
J.Mol.Biol., 214, 1990
2A2X
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BU of 2a2x by Molmil
Orally Active Thrombin Inhibitors in Complex with Thrombin Inh12
Descriptor: 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, ...
Authors:Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W.
Deposit date:2005-06-23
Release date:2006-11-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety
BIOORG.MED.CHEM.LETT., 16, 2006
2ANK
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BU of 2ank by Molmil
orally active thrombin inhibitors in complex with thrombin and an exosite decapeptide
Descriptor: 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, ...
Authors:Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W.
Deposit date:2005-08-11
Release date:2006-11-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety
BIOORG.MED.CHEM.LETT., 16, 2006
2ANM
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BU of 2anm by Molmil
Ternary complex of an orally active thrombin inhibitor with human thrombin and a c-terminal hirudin derived exo-sit inhibitor
Descriptor: 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
Authors:Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W.
Deposit date:2005-08-11
Release date:2006-06-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety
Bioorg.Med.Chem.Lett., 16, 2006
1O0D
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BU of 1o0d by Molmil
Human Thrombin complexed with a d-Phe-Pro-Arg-type Inhibitor and a C-terminal Hirudin derived exo-site inhibitor
Descriptor: (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, ...
Authors:Lange, U.E, Bauke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W.
Deposit date:2003-02-21
Release date:2003-10-14
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:D-Phe-Pro-Arg type thrombin inhibitors: unexpected selectivity by modification of the P1 moiety
Bioorg.Med.Chem.Lett., 13, 2003
1NZQ
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BU of 1nzq by Molmil
D-Phe-Pro-Arg-Type Thrombin Inhibitor
Descriptor: (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, ...
Authors:Lange, U.E, Bauke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W.
Deposit date:2003-02-19
Release date:2003-10-14
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:D-Phe-Pro-Arg type thrombin inhibitors: unexpected selectivity by modification of the P1 moiety
Bioorg.Med.Chem.Lett., 13, 2003
2FEQ
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BU of 2feq by Molmil
orally active thrombin inhibitors
Descriptor: 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, ...
Authors:Mack, H, Baucke, D, Hornberger, W, Lange, U.E.W, Hoeffken, H.W.
Deposit date:2005-12-16
Release date:2006-08-08
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety
Bioorg.Med.Chem.Lett., 16, 2006
4URE
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BU of 4ure by Molmil
Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, CYCLOHEXANOL DEHYDROGENASE, ...
Authors:Buesing, I, Hoeffken, H.W, Breuer, M, Woehlbrand, L, Hauer, B, Rabus, R.
Deposit date:2014-06-28
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum Aromaticum' Ebn1.
J.Mol.Microbiol.Biotechnol., 25, 2015
4URF
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BU of 4urf by Molmil
Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, BICARBONATE ION, ...
Authors:Buesing, I, Hoeffken, H.W, Breuer, M, Woehlbrand, L, Hauer, B, Rabus, R.
Deposit date:2014-06-28
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum Aromaticum' Ebn1.
J.Mol.Microbiol.Biotechnol., 25, 2015
3ZN2
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BU of 3zn2 by Molmil
protein engineering of halohydrin dehalogenase
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETATE ION, HALOHYDRIN DEHALOGENASE, ...
Authors:Schallmey, M, Jekel, P, Tang, L, Majeric-Elenkov, M, Hoeffken, H.W, Hauer, B, Janssen, D.B.
Deposit date:2013-02-13
Release date:2014-03-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Single Point Mutation Enhances Hydroxynitrile Synthesis by Halohydrin Dehalogenase.
Enzyme.Microb.Technol., 70, 2015
1ETT
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BU of 1ett by Molmil
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
Descriptor: 4-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide, EPSILON-THROMBIN
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
1ETS
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BU of 1ets by Molmil
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
Descriptor: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, EPSILON-THROMBIN
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
1ETR
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BU of 1etr by Molmil
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
Descriptor: 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
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
1PPB
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BU of 1ppb by Molmil
THE REFINED 1.9 ANGSTROMS CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN: INTERACTION WITH D-PHE-PRO-ARG CHLOROMETHYLKETONE AND SIGNIFICANCE OF THE TYR-PRO-PRO-TRP INSERTION SEGMENT
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Authors:Bode, W.
Deposit date:1991-10-24
Release date:1994-01-31
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The refined 1.9 A crystal structure of human alpha-thrombin: interaction with D-Phe-Pro-Arg chloromethylketone and significance of the Tyr-Pro-Pro-Trp insertion segment.
EMBO J., 8, 1989
1PPC
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BU of 1ppc by Molmil
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
Descriptor: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, CALCIUM ION, TRYPSIN
Authors:Bode, W, Turk, D.
Deposit date:1991-10-24
Release date:1994-01-31
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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

217705

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