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1TKQ
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SOLUTION STRUCTURE OF A LINKED UNSYMMETRIC GRAMICIDIN IN A MEMBRANE-ISOELECTRICAL SOLVENTS MIXTURE IN THE PRESENCE OF CSCL
Descriptor:MINI-GRAMICIDIN A, GRAMICIDIN A, SUCCINIC ACID
Authors:Xie, X., Al-Momani, L., Bockelmann, D., Griesinger, C., Koert, U.
Deposit date:2004-06-09
Release date:2004-07-13
Last modified:2012-12-12
Method:SOLUTION NMR
Cite:An Asymmetric Ion Channel Derived from Gramicidin A. Synthesis, Function and NMR Structure.
FEBS J., 272, 2005
3FYX
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THE STRUCTURE OF OMPF PORIN WITH A SYNTHETIC DIBENZO-18-CROWN-6 AS MODULATOR
Descriptor:Outer membrane protein F, N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Authors:Reitz, S., Cebi, M., Koert, U., Essen, L.O.
Deposit date:2009-01-23
Release date:2009-06-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:On the function and structure of synthetically modified porins.
Angew.Chem.Int.Ed.Engl., 48, 2009
1KQE
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SOLUTION STRUCTURE OF A LINKED SHORTENED GRAMICIDIN A IN BENZENE/ACETONE 10:1
Descriptor:MINI-GRAMICIDIN A, SUCCINIC ACID
Authors:Arndt, H.D., Bockelmann, D., Knoll, A., Lamberth, S., Griesinger, C., Koert, U.
Deposit date:2002-01-05
Release date:2002-11-27
Last modified:2018-07-18
Method:SOLUTION NMR
Cite:Cation Control in Functional Helical Programming: Structures of a D,L-Peptide Ion Channel
Angew.Chem.Int.Ed.Engl., 41, 2002
2WVP
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SYNTHETICALLY MODIFIED OMPG
Descriptor:OUTER MEMBRANE PROTEIN G, N-[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]-2-IODOACETAMIDE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ...
Authors:Grosse, W., Reiss, P., Reitz, S., Cebi, M., Luebben, W., Koert, U., Essen, L.-O.
Deposit date:2009-10-19
Release date:2010-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Functional Characterization of a Synthetically Modified Ompg.
Bioorg.Med.Chem., 18, 2010
3KIG
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MUTANT CARBONIC ANHYDRASE II IN COMPLEX WITH AN AZIDE AND AN ALKYNE
Descriptor:Carbonic anhydrase 2, ZINC ION, 2-azido-N-(2-sulfanylethyl)ethanamide, ...
Authors:Schulze-Wischeler, J., Niehage, N.U., Heine, A., Klebe, G.
Deposit date:2009-11-02
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry.
Chemistry, 17, 2011
3KNE
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CARBONIC ANHYDRASE II H64C MUTANT IN COMPLEX WITH AN IN SITU FORMED TRIAZOLE
Descriptor:Carbonic anhydrase 2, ZINC ION, (4-CARBOXYPHENYL)(CHLORO)MERCURY, ...
Authors:Schulze-Wischeler, J., Heine, A., Klebe, G.
Deposit date:2009-11-12
Release date:2011-05-18
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry.
Chemistry, 17, 2011
1Y59
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DIANHYDROSUGAR-BASED BENZAMIDINE, FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN MUTANT
Descriptor:Trypsin, cationic, CALCIUM ION, ...
Authors:Di Fenza, A., Heine, A., Klebe, G.
Deposit date:2004-12-02
Release date:2005-12-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions
Chemmedchem, 2, 2007
1Y5A
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DIANHYDROSUGAR-BASED BENZAMIDINE, FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN MUTANT
Descriptor:Trypsin, cationic, SULFATE ION, ...
Authors:Di Fenza, A., Heine, A., Klebe, G.
Deposit date:2004-12-02
Release date:2005-12-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions
Chemmedchem, 2, 2007
1Y5B
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DIANHYDROSUGAR-BASED BENZAMIDINE, FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN MUTANT
Descriptor:Trypsin, cationic, SULFATE ION, ...
Authors:Di Fenza, A., Heine, A., Klebe, G.
Deposit date:2004-12-02
Release date:2005-12-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions
Chemmedchem, 2, 2007
1Y5U
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DIANHYDROSUGAR-BASED BENZAMIDINE, FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN MUTANT
Descriptor:Trypsin, cationic, CALCIUM ION, ...
Authors:Di Fenza, A., Heine, A., Klebe, G.
Deposit date:2004-12-03
Release date:2005-12-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions
Chemmedchem, 2, 2007
3FXP
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THERMOLYSIN INHIBITION
Descriptor:Thermolysin, CALCIUM ION, ZINC ION, ...
Authors:Englert, L., Heine, A., Klebe, G.
Deposit date:2009-01-21
Release date:2010-02-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Thermolysin in complex with triazolic inhibitor
To be Published
3FXS
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METAL EXCHANGE IN THERMOLYSIN
Descriptor:Thermolysin, CALCIUM ION, RUTHENIUM ION, ...
Authors:Englert, L., Heine, A., Klebe, G.
Deposit date:2009-01-21
Release date:2010-02-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Metal exchange in thermolysin
To be Published
4CTD
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X-RAY STRUCTURE OF AN ENGINEERED OMPG LOOP6-DELETION
Descriptor:OUTER MEMBRANE PROTEIN G, CHLORIDE ION, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
Authors:Grosse, W., Essen, L.-O.
Deposit date:2014-03-13
Release date:2014-08-13
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-Based Engineering of a Minimal Porin Reveals Loop- Independent Channel Closure.
Biochemistry, 53, 2014