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3FYX
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BU of 3fyx by Molmil
The Structure of OmpF porin with a synthetic dibenzo-18-crown-6 as modulator
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide, Outer membrane protein F
Authors:Reitz, S, Cebi, M, Koert, U, Essen, L.O.
Deposit date:2009-01-23
Release date:2009-06-30
Last modified:2023-09-06
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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BU of 1kqe by Molmil
Solution structure of a linked shortened gramicidin A in benzene/acetone 10:1
Descriptor: MINI-GRAMICIDIN A
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:2023-11-15
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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BU of 2wvp by Molmil
Synthetically modified OmpG
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, N-[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]-2-IODOACETAMIDE, ...
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:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Functional Characterization of a Synthetically Modified Ompg.
Bioorg.Med.Chem., 18, 2010
1TKQ
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BU of 1tkq by Molmil
SOLUTION STRUCTURE OF A LINKED UNSYMMETRIC GRAMICIDIN IN A MEMBRANE-ISOELECTRICAL SOLVENTS MIXTURE IN THE PRESENCE OF CsCl
Descriptor: GRAMICIDIN A, MINI-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:2019-09-25
Method:SOLUTION NMR
Cite:An Asymmetric Ion Channel Derived from Gramicidin A. Synthesis, Function and NMR Structure.
FEBS J., 272, 2005
3FXP
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BU of 3fxp by Molmil
Thermolysin inhibition
Descriptor: CALCIUM ION, D-glucose, N~2~-[(2S)-2-{[1-(4-carboxybenzyl)-1H-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-L-lysine, ...
Authors:Englert, L, Heine, A, Klebe, G.
Deposit date:2009-01-21
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Thermolysin in complex with triazolic inhibitor
To be Published
3KIG
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BU of 3kig by Molmil
Mutant carbonic anhydrase II in complex with an azide and an alkyne
Descriptor: 2-azido-N-(2-sulfanylethyl)ethanamide, 3-ethynylbenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Schulze-Wischeler, J, Niehage, N.U, Heine, A, Klebe, G.
Deposit date:2009-11-02
Release date:2010-11-17
Last modified:2024-02-21
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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BU of 3kne by Molmil
Carbonic Anhydrase II H64C mutant in complex with an in situ formed triazole
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(S)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1H-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide, ...
Authors:Schulze-Wischeler, J, Heine, A, Klebe, G.
Deposit date:2009-11-12
Release date:2011-05-18
Last modified:2024-02-28
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
4CTD
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BU of 4ctd by Molmil
X-ray structure of an engineered OmpG loop6-deletion
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CHLORIDE ION, OUTER MEMBRANE PROTEIN G
Authors:Grosse, W, Essen, L.-O.
Deposit date:2014-03-13
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-Based Engineering of a Minimal Porin Reveals Loop- Independent Channel Closure.
Biochemistry, 53, 2014
3FXS
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BU of 3fxs by Molmil
Metal exchange in thermolysin
Descriptor: CALCIUM ION, GLYCEROL, RUTHENIUM ION, ...
Authors:Englert, L, Heine, A, Klebe, G.
Deposit date:2009-01-21
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Metal exchange in thermolysin
To be Published
1Y5A
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BU of 1y5a by Molmil
Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant
Descriptor: 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}-5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, GLYCEROL, ...
Authors:Di Fenza, A, Heine, A, Klebe, G.
Deposit date:2004-12-02
Release date:2005-12-13
Last modified:2021-11-10
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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BU of 1y5b by Molmil
Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant
Descriptor: 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, IMIDAZOLE, ...
Authors:Di Fenza, A, Heine, A, Klebe, G.
Deposit date:2004-12-02
Release date:2005-12-13
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions
Chemmedchem, 2, 2007
1Y59
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BU of 1y59 by Molmil
Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant
Descriptor: 2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, GLYCEROL, ...
Authors:Di Fenza, A, Heine, A, Klebe, G.
Deposit date:2004-12-02
Release date:2005-12-13
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions
Chemmedchem, 2, 2007
1Y5U
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BU of 1y5u by Molmil
Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant
Descriptor: 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}-5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Di Fenza, A, Heine, A, Klebe, G.
Deposit date:2004-12-03
Release date:2005-12-13
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions
Chemmedchem, 2, 2007

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