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1EFZ
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MUTAGENESIS AND CRYSTALLOGRAPHIC STUDIES OF ZYMOMONAS MOBILIS TRNA-GUANINE TRANSGLYCOSYLASE TO ELUCIDATE THE ROLE OF SERINE 103 FOR ENZYMATIC ACTIVITY
Descriptor:TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION, 7-DEAZA-7-AMINOMETHYL-GUANINE
Authors:Gradler, U., Ficner, R., Garcia, G.A., Stubbs, M.T., Klebe, G., Reuter, K.
Deposit date:2000-02-11
Release date:2000-03-01
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutagenesis and crystallographic studies of Zymomonas mobilis tRNA-guanine transglycosylase to elucidate the role of serine 103 for enzymatic activity.
FEBS Lett., 454, 1999
1ENU
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A NEW TARGET FOR SHIGELLOSIS: RATIONAL DESIGN AND CRYSTALLOGRAPHIC STUDIES OF INHIBITORS OF TRNA-GUANINE TRANSGLYCOSYLASE
Descriptor:TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION, 4-AMINOPHTHALHYDRAZIDE
Authors:Gradler, U., Gerber, H.D., Goodenough-Lashua, D.M., Garcia, G.A., Ficner, R., Reuter, K., Stubbs, M.T., Klebe, G.
Deposit date:2000-03-21
Release date:2000-04-19
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A new target for shigellosis: rational design and crystallographic studies of inhibitors of tRNA-guanine transglycosylase.
J.Mol.Biol., 306, 2001
1EKO
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PIG ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR
Descriptor:ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE
Authors:Podjarny, A.
Deposit date:2000-03-09
Release date:2000-05-10
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of human aldose reductase bound to the inhibitor IDD384.
Acta Crystallogr.,Sect.D, 56, 2000
1EL3
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HUMAN ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR
Descriptor:ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE
Authors:Podjarny, A.
Deposit date:2000-03-13
Release date:2000-05-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of human aldose reductase bound to the inhibitor IDD384.
Acta Crystallogr.,Sect.D, 56, 2000
1F3E
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A NEW TARGET FOR SHIGELLOSIS: RATIONAL DESIGN AND CRYSTALLOGRAPHIC STUDIES OF INHIBITORS OF TRNA-GUANINE TRANSGLYCOSYLASE
Descriptor:QUEUINE TRNA-RIBOSYLTRANSFERASE, ZINC ION, 3,5-DIAMINOPHTHALHYDRAZIDE
Authors:Graedler, U., Gerber, H.-D., Goodenough-Lashua, D.M., Garcia, G.A.G., Ficner, R., Reuter, K., Stubbs, M.T., Klebe, G.
Deposit date:2000-06-02
Release date:2000-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A new target for shigellosis: rational design and crystallographic studies of inhibitors of tRNA-guanine transglycosylase.
J.Mol.Biol., 306, 2001
1QL7
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FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN
Descriptor:TRYPSIN, CALCIUM ION, SULFATE ION, ...
Authors:Stubbs, M.T.
Deposit date:1999-08-24
Release date:2000-08-25
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ph-Dependent Binding Modes Observed in Trypsin Crystals: Lessons for the Structure-Based Drug Design
Chembiochem, 3, 2002
1QL8
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FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN
Descriptor:TRYPSIN, CALCIUM ION, SULFATE ION, ...
Authors:Stubbs, M.T.
Deposit date:1999-08-24
Release date:2000-08-25
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:Ph-Dependent Binding Modes Observed in Trypsin Crystals: Lessons for the Structure-Based Drug Design
Chembiochem, 3, 2002
1QL9
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FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT
Descriptor:TRYPSIN, CALCIUM ION, SULFATE ION, ...
Authors:Stubbs, M.T.
Deposit date:1999-08-24
Release date:2000-08-25
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-Induced Structural Plasticity
J.Mol.Biol., 325, 2003
1FJH
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THE CRYSTAL STRUCTURE OF 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE FROM COMAMONAS TESTOSTERONI, A MEMBER OF THE SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY
Descriptor:3ALPHA-HYDROXYSTEROID DEHYDROGENASE/CARBONYL REDUCTASE
Authors:Grimm, C., Ficner, R., Maser, E., Klebe, G., Reuter, K.
Deposit date:2000-08-08
Release date:2001-01-17
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:The crystal structure of 3alpha -hydroxysteroid dehydrogenase/carbonyl reductase from Comamonas testosteroni shows a novel oligomerization pattern within the short chain dehydrogenase/reductase family.
J.Biol.Chem., 275, 2000
1FK8
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THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX WITH NAD OF 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE FROM COMAMONAS TESTOSTERONI, A MEMBER OF THE SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY
Descriptor:3ALPHA-HYDROXYSTEROID DEHYDROGENASE/CARBONYL REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Grimm, C., Ficner, R., Maser, E., Klebe, G., Reuter, K.
Deposit date:2000-08-09
Release date:2001-01-17
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The crystal structure of 3alpha -hydroxysteroid dehydrogenase/carbonyl reductase from Comamonas testosteroni shows a novel oligomerization pattern within the short chain dehydrogenase/reductase family.
J.Biol.Chem., 275, 2000
1K1I
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BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor:TRYPSIN, CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N-(3-AMIDINO-L-PHENYLALANINYL)-D-PIPECOLINIC ACID
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1K1J
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BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor:TRYPSIN, CALCIUM ION, SULFATE ION, ...
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1K1L
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BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor:TRYPSIN, SULFATE ION, CALCIUM ION, ...
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1K1M
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BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor:TRYPSIN, CALCIUM ION, SULFATE ION, ...
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1K1N
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BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor:TRYPSIN, CALCIUM ION, [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1K1O
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BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor:TRYPSIN, CALCIUM ION, {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1K1P
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BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor:TRYPSIN, CALCIUM ION, [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1K5H
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1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE
Descriptor:1-deoxy-D-xylulose-5-phosphate reductoisomerase
Authors:Reuter, K., Sanderbrand, S., Jomaa, H., Wiesner, J., Steinbrecher, I., Beck, E., Hintz, M., Klebe, G., Stubbs, M.T.
Deposit date:2001-10-10
Release date:2002-02-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of 1-deoxy-D-xylulose-5-phosphate reductoisomerase, a crucial enzyme in the non-mevalonate pathway of isoprenoid biosynthesis.
J.Biol.Chem., 277, 2002
1K4G
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CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) COMPLEXED WITH 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE
Descriptor:TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION, 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE
Authors:Brenk, R., Meyer, E.A., Castellano, R.K., Furler, M., Stubbs, M.T., Klebe, G., Diederich, F.
Deposit date:2001-10-08
Release date:2002-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:De novo design, synthesis, and in vitro evaluation of inhibitors for prokaryotic tRNA-guanine transglycosylase: a dramatic sulfur effect on binding affinity.
ChemBioChem, 3, 2002
1K4H
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CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) COMPLEXED WITH 2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-3H-QUINAZOLINE-4-ONE
Descriptor:TRNA-GUANINE-TRANSGLYCOSYLASE, ZINC ION, 2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-3H-QUINAZOLINE-4-ONE
Authors:Brenk, R., Meyer, E.A., Castellano, R.K., Furler, M., Stubbs, M.T., Klebe, G., Diederich, F.
Deposit date:2001-10-08
Release date:2002-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo design, synthesis, and in vitro evaluation of inhibitors for prokaryotic tRNA-guanine transglycosylase: a dramatic sulfur effect on binding affinity.
Chembiochem, 3, 2002
1K21
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HUMAN THROMBIN-INHIBITOR COMPLEX
Descriptor:Prothrombin, Hirudin variant-2, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Stubbs, M.T., Musil, D.
Deposit date:2001-09-26
Release date:2002-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1K22
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HUMAN THROMBIN-INHIBITOR COMPLEX
Descriptor:Prothrombin, Hirudin variant-2, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Stubbs, M.T., Musil, D.
Deposit date:2001-09-26
Release date:2002-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1J14
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BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT
Descriptor:trypsin II, anionic, CALCIUM ION, ...
Authors:Stubbs, M.T.
Deposit date:2002-11-30
Release date:2002-12-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity
J.MOL.BIOL., 325, 2003
1J15
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BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT
Descriptor:Trypsin II, anionic, CALCIUM ION, ...
Authors:Stubbs, M.T.
Deposit date:2002-11-30
Release date:2002-12-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity
J.MOL.BIOL., 325, 2003
1J16
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BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT
Descriptor:Trypsin II, anionic, CALCIUM ION, ...
Authors:Stubbs, M.T.
Deposit date:2002-11-30
Release date:2002-12-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity
J.MOL.BIOL., 325, 2003