Author results

1RRI
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DHNA COMPLEX WITH 3-(5-AMINO-7-HYDROXY-[1,2,3] TRIAZOLO [4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID
Descriptor:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID
Authors:Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
Deposit date:2003-12-08
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RRW
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DHNA COMPLEXED WITH 9-METHYLGUANINE
Descriptor:Dihydroneopterin aldolase, 9-METHYLGUANINE
Authors:Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RRY
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DHNA COMPLEXED WITH 2-AMINO-4-HYDROXY-5-CARBOXYETHYLPYRIMIDINE
Descriptor:Dihydroneopterin aldolase, 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
Authors:Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RS2
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DHNA COMPLEX WITH 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE
Descriptor:Dihydroneopterin aldolase, 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE
Authors:Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RS4
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DHNA, 7,8-DIHYDRONEOPTERIN ALDOLASE COMPLEXED WITH 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE
Descriptor:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE
Authors:Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RSD
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DHNA COMPLEX WITH 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE
Descriptor:Dihydroneopterin aldolase, 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE
Authors:Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1RSI
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DHNA COMPLEX WITH 2-AMINO-5-BROMO-3-HYDROXY-6-PHENYLPYRIMIDINE
Descriptor:Dihydroneopterin aldolase, 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL
Authors:Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
1U68
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DHNA 7,8 DIHYDRONEOPTERIN COMPLEX
Descriptor:Dihydroneopterin aldolase, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE
Authors:Sanders, W.J., Nienaber, V.L., Lerner, C.G., McCall, J.O., Merrick, S.M., Swanson, S.J., Harlan, J.E., Stoll, V.S., Stamper, G.F., Betz, S.F., Condroski, K.R., Meadows, R.P., Severin, J.M., Walter, K.A., Magdalinos, P., Jakob, C.G., Wagner, R., Beutel, B.A.
Deposit date:2004-07-29
Release date:2004-10-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization.
J.MED.CHEM., 47, 2004
4KTC
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NS3/NS4A PROTEASE WITH INHIBITOR
Descriptor:Serine protease NS3, NS4A peptide, ZINC ION, ...
Authors:Zhang, H., Ballard, J., Vigers, G.P.A., Brandhuber, B.J.
Deposit date:2013-05-20
Release date:2013-08-07
Last modified:2014-03-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease.
J.Med.Chem., 57, 2014
4MLE
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HUMAN GLUCOKINASE IN COMPLEX WITH NOVEL AMINO THIAZOLE ACTIVATOR
Descriptor:Glucokinase, ALPHA-D-GLUCOSE, 3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
Authors:Voegtli, W.C.
Deposit date:2013-09-06
Release date:2013-09-25
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of a New Class of Glucokinase Activators through Structure-Based Design.
J.Med.Chem., 56, 2013
4MLH
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HUMAN GLUCOKINASE IN COMPLEX WITH A NOVEL AMINO THIAZOLE ALLOSTERIC ACTIVATOR
Descriptor:Glucokinase, ALPHA-D-GLUCOSE, 3-(benzyloxy)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
Authors:Voegtli, W.C.
Deposit date:2013-09-06
Release date:2013-09-25
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of a New Class of Glucokinase Activators through Structure-Based Design.
J.Med.Chem., 56, 2013
4RCH
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DISCOVERY OF 2-PYRIDYL UREAS AS GLUCOKINASE ACTIVATORS
Descriptor:Glucokinase, ALPHA-D-GLUCOSE, 1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea
Authors:Voegtli, W., Vigers, G.P.A.
Deposit date:2014-09-16
Release date:2014-10-08
Last modified:2014-10-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 2-pyridylureas as glucokinase activators.
J.Med.Chem., 57, 2014