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1TIM
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STRUCTURE OF TRIOSE PHOSPHATE ISOMERASE FROM CHICKEN MUSCLE
Descriptor:TRIOSEPHOSPHATE ISOMERASE
Authors:Banner, D.W., Bloomer, A.C., Petsko, G.A., Phillips, D.C., Wilson, I.A.
Deposit date:1976-09-01
Release date:1976-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Atomic coordinates for triose phosphate isomerase from chicken muscle.
Biochem.Biophys.Res.Commun., 72, 1976
1TNR
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CRYSTAL STRUCTURE OF THE SOLUBLE HUMAN 55 KD TNF RECEPTOR-HUMAN TNF-BETA COMPLEX: IMPLICATIONS FOR TNF RECEPTOR ACTIVATION
Descriptor:TUMOR NECROSIS FACTOR BETA, TUMOR NECROSIS FACTOR RECEPTOR P55
Authors:Banner, D.W.
Deposit date:1994-05-09
Release date:1994-07-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of the soluble human 55 kd TNF receptor-human TNF beta complex: implications for TNF receptor activation.
Cell(Cambridge,Mass.), 73, 1993
1DAN
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COMPLEX OF ACTIVE SITE INHIBITED HUMAN BLOOD COAGULATION FACTOR VIIA WITH HUMAN RECOMBINANT SOLUBLE TISSUE FACTOR
Descriptor:BLOOD COAGULATION FACTOR VIIA light chain, BLOOD COAGULATION FACTOR VIIA heavy chain, SOLUBLE TISSUE FACTOR, ...
Authors:Banner, D.W.
Deposit date:1997-03-05
Release date:1997-09-04
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of the complex of blood coagulation factor VIIa with soluble tissue factor.
Nature, 380, 1996
1DWB
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CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
Descriptor:ALPHA-THROMBIN (SMALL SUBUNIT), ALPHA-THROMBIN (LARGE SUBUNIT), HIRUDIN IIIA, ...
Authors:Banner, D.W., Hadvary, P.
Deposit date:1992-08-19
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
1DWC
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CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
Descriptor:ALPHA-THROMBIN (SMALL SUBUNIT), ALPHA-THROMBIN (LARGE SUBUNIT), HIRUDIN IIIA, ...
Authors:Banner, D.W., Hadvary, P.
Deposit date:1992-08-19
Release date:1994-01-31
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
1DWD
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CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
Descriptor:ALPHA-THROMBIN (SMALL SUBUNIT), ALPHA-THROMBIN (LARGE SUBUNIT), HIRUDIN IIIA, ...
Authors:Banner, D.W., Hadvary, P.
Deposit date:1992-08-19
Release date:1994-01-31
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
1DWE
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CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
Descriptor:ALPHA-THROMBIN light chain, ALPHA-THROMBIN heavy chain, HIRUDIN IIIA, ...
Authors:Banner, D.W., Hadvary, P.
Deposit date:1992-08-19
Release date:1994-01-31
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
3ZKG
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BACE2 MUTANT APO STRUCTURE
Descriptor:BETA-SECRETASE 2, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Banner, D.W., Kuglstatter, A., Benz, J., Stihle, M., Ruf, A.
Deposit date:2013-01-23
Release date:2013-05-29
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKI
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BACE2 MUTANT STRUCTURE WITH LIGAND
Descriptor:BETA-SECRETASE 2, 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide
Authors:Banner, D.W., Kuglstatter, A., Benz, J., Stihle, M., Ruf, A.
Deposit date:2013-01-23
Release date:2013-05-29
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKM
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BACE2 FAB COMPLEX
Descriptor:BETA-SECRETASE 2, FAB HEAVY CHAIN, FAB LIGHT CHAIN, ...
Authors:Banner, D.W., Kuglstatter, A., Benz, J., Stihle, M., Ruf, A.
Deposit date:2013-01-23
Release date:2013-05-29
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKN
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BACE2 FAB INHIBITOR COMPLEX
Descriptor:BETA-SECRETASE 2, FAB HEAVY CHAIN, FAB LIGHT CHAIN, ...
Authors:Banner, D.W., Kuglstatter, A., Benz, J., Stihle, M., Ruf, A.
Deposit date:2013-01-23
Release date:2013-05-29
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKQ
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BACE2 XAPERONE COMPLEX
Descriptor:BETA-SECRETASE 2, XA4813, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Banner, D.W., Kuglstatter, A., Benz, J., Stihle, M., Ruf, A.
Deposit date:2013-01-24
Release date:2013-05-29
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZKS
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BACE2 XAPERONE COMPLEX WITH INHIBITOR
Descriptor:BETA-SECRETASE 2, XA4813, 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide
Authors:Banner, D.W., Kuglstatter, A., Benz, J., Stihle, M., Ruf, A.
Deposit date:2013-01-24
Release date:2013-05-29
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZL7
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BACE2 FYNOMER COMPLEX
Descriptor:BETA-SECRETASE 2, FYNOMER 2B-H11
Authors:Banner, D.W., Kuglstatter, A., Benz, J., Stihle, M., Ruf, A.
Deposit date:2013-01-28
Release date:2013-05-29
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3ZOV
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CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
Descriptor:BETA-SECRETASE 1, 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, SODIUM ION, ...
Authors:Banner, D.W., Kuglstatter, A., Benz, J., Stihle, M., Ruf, A.
Deposit date:2013-02-25
Release date:2013-05-29
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
4BEL
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BACE2 XAPERONE COMPLEX
Descriptor:BETA-SECRETASE 2, XA4813, CHLORIDE ION, ...
Authors:Banner, D.W., Kuglstatter, A., Benz, J., Stihle, M., Ruf, A.
Deposit date:2013-03-11
Release date:2013-05-29
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
4BFB
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BACE2 XAPERONE COMPLEX
Descriptor:BETA-SECRETASE 2, XA4813, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Banner, D.W., Kuglstatter, A., Benz, J., Stihle, M., Ruf, A.
Deposit date:2013-03-18
Release date:2013-05-29
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
1ROP
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STRUCTURE OF THE COL*E1 ROP PROTEIN AT 1.7 ANGSTROMS RESOLUTION
Descriptor:ROP PROTEIN
Authors:Kokkinidis, M., Banner, D.W., Tsernoglou, D.
Deposit date:1991-04-02
Release date:1992-07-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the ColE1 rop protein at 1.7 A resolution
J.Mol.Biol., 196, 1987
1W0Y
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TF7A_3771 COMPLEX
Descriptor:BLOOD COAGULATION FACTOR VIIA, TISSUE FACTOR, 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE, ...
Authors:Banner, D.W., D'Arcy, A., Groebke-Zbinden, K., Ackermann, J., Kirchhofer, D., Ji, Y.-H., Tschopp, T.B., Wallbaum, S., Weber, L.
Deposit date:2004-05-27
Release date:2005-01-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
1OYT
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COMPLEX OF RECOMBINANT HUMAN THROMBIN WITH A DESIGNED FLUORINATED INHIBITOR
Descriptor:thrombin light chain, thrombin heavy chain, Hirudin IIB, ...
Authors:Banner, D.W., Olsen, J.A.
Deposit date:2003-04-07
Release date:2003-06-24
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A Fluorine Scan of Thrombin Inhibitors to Map the Fluorophilicity/Fluorophobicity of an Enzyme Active Site: Evidence for CF...C=O Interactions.
Angew.Chem.Int.Ed.Engl., 42, 2003
1W2K
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TF7A_4380 COMPLEX
Descriptor:BLOOD COAGULATION FACTOR VIIA, TISSUE FACTOR, (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE, ...
Authors:Banner, D.W., D'Arcy, A., Groebke-Zbinden, K., Ackermann, J., Kirchhofer, D., Ji, Y.-H., Tschopp, T.B., Wallbaum, S., Weber, L.
Deposit date:2004-07-06
Release date:2005-06-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
2XBV
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FACTOR XA IN COMPLEX WITH A PYRROLIDINE-3,4-DICARBOXYLIC ACID INHIBITOR
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ...
Authors:Banner, D.W., Benz, J., Schlatter, D., Anselm, L., Haap, W.
Deposit date:2010-04-15
Release date:2010-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
2XBW
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FACTOR XA IN COMPLEX WITH A PYRROLIDINE-3,4-DICARBOXYLIC ACID INHIBITOR
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, (3R,4R)-1-SULFAMOYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ...
Authors:Banner, D.W., Benz, J., Schlatter, D., Thomi, S., Haap, W.
Deposit date:2010-04-15
Release date:2010-08-04
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
2XBX
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FACTOR XA IN COMPLEX WITH A PYRROLIDINE-3,4-DICARBOXYLIC ACID INHIBITOR
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ...
Authors:Banner, D.W., Benz, J., Schlatter, D., Haap, W.
Deposit date:2010-04-15
Release date:2010-08-04
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
2XBY
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FACTOR XA IN COMPLEX WITH A PYRROLIDINE-3,4-DICARBOXYLIC ACID INHIBITOR
Descriptor:ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, (3R,4R)-1-METHYLCARBAMOYLMETHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ...
Authors:Banner, D.W., Benz, J., Schlatter, D., Thomi, S., Haap, W.
Deposit date:2010-04-15
Release date:2010-08-04
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010