Author results

2Q1B
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CARBONIC ANHYDRASE II IN COMPLEX WITH SACCHARIN
Descriptor:Carbonic anhydrase 2, ZINC ION, MERCURY (II) ION, ...
Authors:Klebe, G., Heine, A., Koehler, K.
Deposit date:2007-05-24
Release date:2007-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Saccharin Inhibits Carbonic Anhydrases: Possible Explanation for its Unpleasant Metallic Aftertaste.
Angew.Chem.Int.Ed.Engl., 46, 2007
3RR4
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TRNA-GUANINE TRANSGLYCOSYLASE IN COMPLEX WITH N-METHYL-LIN-BENZOGUANINE INHIBITOR
Descriptor:Queuine tRNA-ribosyltransferase, ZINC ION, 2,6-bis(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, ...
Authors:Klebe, G., Immekus, F., Heine, A.
Deposit date:2011-04-29
Release date:2012-04-25
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:From lin-Benzoguanines to lin-Benzohypoxanthines as Ligands for Zymomonas mobilis tRNA-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding by Importing Water Clusters.
Chemistry, 18, 2012
3S1G
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TRNA-GUANINE TRANSGLYCOSYLASE IN COMPLEX WITH LIN-BENZOHYPOXANTHINE INHIBITOR
Descriptor:Queuine tRNA-ribosyltransferase, ZINC ION, 2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, ...
Authors:Klebe, G., Immekus, F., Heine, A.
Deposit date:2011-05-15
Release date:2012-05-16
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:From lin-Benzoguanines to lin-Benzohypoxanthines as Ligands for Zymomonas mobilis tRNA-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding by Importing Water Clusters.
Chemistry, 18, 2012
3SM0
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TRNA-GUANINE TRANSGLYCOSYLASE IN COMPLEX WITH LIN-BENZOHYPOXANTHINE INHIBITOR
Descriptor:Queuine tRNA-ribosyltransferase, ZINC ION, 4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, ...
Authors:Klebe, G., Immekus, F., Heine, A.
Deposit date:2011-06-27
Release date:2012-06-27
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:From lin-Benzoguanines to lin-Benzohypoxanthines as Ligands for Zymomonas mobilis tRNA-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding by Importing Water Clusters.
Chemistry, 18, 2012
3TLL
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TRNA-GUANINE TRANSGLYCOSYLASE IN COMPLEX WITH N-ETHYL-LIN-BENZOGUANINE INHIBITOR
Descriptor:Queuine tRNA-ribosyltransferase, ZINC ION, GLYCEROL, ...
Authors:Klebe, G., Immekus, F., Heine, A.
Deposit date:2011-08-30
Release date:2012-07-18
Last modified:2012-08-22
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:From lin-Benzoguanines to lin-Benzohypoxanthines as Ligands for Zymomonas mobilis tRNA-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding by Importing Water Clusters.
Chemistry, 18, 2012
1V2J
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BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSRI)BT.C1
Descriptor:Trypsin, SULFATE ION, CALCIUM ION, ...
Authors:Rauh, D., Klebe, G., Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2K
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FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(TRIPLE.GLU)BT.D2
Descriptor:Trypsin, SULFATE ION, CALCIUM ION, ...
Authors:Rauh, D., Klebe, G., Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2L
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BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(TRIPLE.GLU)BT.D1
Descriptor:Trypsin, SULFATE ION, CALCIUM ION, ...
Authors:Rauh, D., Klebe, G., Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2M
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BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(TRIPLE.GLU)BT.A1
Descriptor:Trypsin, SULFATE ION, BENZAMIDINE
Authors:Rauh, D., Klebe, G., Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2N
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POTENT FACTOR XA INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(99/175/190)BT
Descriptor:Trypsin, CALCIUM ION, 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE
Authors:Rauh, D., Klebe, G., Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2O
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TRYPSIN INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSYI)BT.B4
Descriptor:Trypsin, SULFATE ION, CALCIUM ION, ...
Authors:Rauh, D., Klebe, G., Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2P
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TRYPSIN INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSYI)BT.A4
Descriptor:Trypsin, SULFATE ION, CALCIUM ION, ...
Authors:Rauh, D., Klebe, G., Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2Q
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TRYPSIN INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSWI)BT.B4
Descriptor:Trypsin, SULFATE ION, CALCIUM ION, ...
Authors:Rauh, D., Klebe, G., Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2R
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TRYPSIN INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSRI)BT.B4
Descriptor:Trypsin, SULFATE ION, CALCIUM ION, ...
Authors:Rauh, D., Klebe, G., Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2S
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BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSFI.GLU)BT.D1
Descriptor:Trypsin, SULFATE ION, CALCIUM ION, ...
Authors:Rauh, D., Klebe, G., Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2T
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TRYPSIN INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSFI.GLU)BT.B4
Descriptor:Trypsin, SULFATE ION, CALCIUM ION, ...
Authors:Rauh, D., Klebe, G., Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2U
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BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN VARINAT X(SSAI)BT.D1
Descriptor:Trypsin, SULFATE ION, CALCIUM ION, ...
Authors:Rauh, D., Klebe, G., Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2V
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BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSAI)BT.C1
Descriptor:Trypsin, SULFATE ION, CALCIUM ION, ...
Authors:Rauh, D., Klebe, G., Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2W
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TRYPSIN INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSAI)BT.B4
Descriptor:Trypsin, SULFATE ION, CALCIUM ION, ...
Authors:Rauh, D., Klebe, G., Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1Y5V
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TRNA-GUANINE TRANSGLYCOSYLASE (TGT) IN COMPLEX WITH 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Descriptor:Queuine tRNA-ribosyltransferase, ZINC ION, 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, ...
Authors:Stengl, B., Meyer, E.A., Heine, A., Brenk, R., Diederich, F., Klebe, G.
Deposit date:2004-12-03
Release date:2005-12-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding
J.Mol.Biol., 370, 2007
1Y5W
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TRNA-GUANINE TRANSGLYCOSYLASE (TGT) IN COMPLEX WITH 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Descriptor:Queuine tRNA-ribosyltransferase, ZINC ION, 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, ...
Authors:Stengl, B., Meyer, E.A., Heine, A., Brenk, R., Diederich, F., Klebe, G.
Deposit date:2004-12-03
Release date:2005-12-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding
J.Mol.Biol., 370, 2007
1Y5X
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TRNA-GUANINE TRANSGLYCOSYLASE (TGT) IN COMPLEX WITH 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Descriptor:Queuine tRNA-ribosyltransferase, ZINC ION, 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Authors:Stengl, B., Meyer, E.A., Heine, A., Brenk, R., Diederich, F., Klebe, G.
Deposit date:2004-12-03
Release date:2005-12-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding
J.Mol.Biol., 370, 2007
2BBF
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CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) FROM ZYMOMONAS MOBILIS IN COMPLEX WITH 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Descriptor:tRNA guanine transglycosylase, ZINC ION, 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Authors:Stengl, B., Meyer, E.A., Heine, A., Brenk, R., Diederich, F., Klebe, G.
Deposit date:2005-10-17
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding.
J.Mol.Biol., 370, 2007
3BIU
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HUMAN THROMBIN-IN COMPLEX WITH UB-THR10
Descriptor:Thrombin light chain, Thrombin heavy chain, Hirudin, ...
Authors:Gerlach, C., Smolinski, M., Steuber, H., Sotriffer, C.A., Heine, A., Hangauer, D.G., Klebe, G.
Deposit date:2007-12-01
Release date:2007-12-25
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Thermodynamic Inhibition Profile of a Cyclopentyl and a Cyclohexyl Derivative towards Thrombin: The Same but for Different Reasons
Angew.Chem.Int.Ed.Engl., 46, 2007
3BIV
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HUMAN THROMBIN-IN COMPLEX WITH UB-THR11
Descriptor:Thrombin light chain, Thrombin heavy chain, Hirudin, ...
Authors:Gerlach, C., Smolinski, M., Steuber, H., Sotriffer, C.A., Heine, A., Hangauer, D.G., Klebe, G.
Deposit date:2007-12-01
Release date:2007-12-25
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Thermodynamic Inhibition Profile of a Cyclopentyl and a Cyclohexyl Derivative towards Thrombin: The Same but for Different Reasons
Angew.Chem.Int.Ed.Engl., 46, 2007