2Q1B | | 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
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3RR4 | | 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: | 2019-07-17 | | 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
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3S1G | | 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: | 2019-07-17 | | 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
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3SM0 | | 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
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3TLL | | 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: | 2019-07-17 | | 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
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1V2J | | 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
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1V2K | | 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
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1V2L | | 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
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1V2M | |
1V2N | | 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
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1V2O | | 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
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1V2P | | 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
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1V2Q | | 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
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1V2R | | 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
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1V2S | | 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
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1V2T | | 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
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1V2U | | 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
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1V2V | | 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
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1V2W | | 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
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1Y5V | | 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: | 2020-08-26 | | 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
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1Y5W | | 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: | 2020-08-19 | | 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
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1Y5X | | 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: | 2020-08-26 | | 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
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2BBF | | 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: | 2020-08-19 | | 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
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3BIU | | 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: | 2020-07-29 | | 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
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3BIV | | 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: | 2020-07-29 | | 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
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