Author results

1OWD
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, 6-[AMINO(IMINO)METHYL]-N-[(4R)-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL]-2-NAPHTHAMIDE
Authors:Wendt, M.D., Rockway, T.W., Geyer, A., McClellan, W., Weitzberg, M., Zhao, X., Mantei, R., Nienaber, V.L., Stewart, K., Klinghofer, V., Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWE
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, SULFATE ION, 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE
Authors:Wendt, M.D., Rockway, T.W., Geyer, A., McClellan, W., Weitzberg, M., Zhao, X., Mantei, R., Nienaber, V.L., Stewart, K., Klinghofer, V., Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWH
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, SULFATE ION, 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
Authors:Wendt, M.D., Rockway, T.W., Geyer, A., McClellan, W., Weitzberg, M., Zhao, X., Mantei, R., Nienaber, V.L., Stewart, K., Klinghofer, V., Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWI
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE
Authors:Wendt, M.D., Rockway, T.W., Geyer, A., McClellan, W., Weitzberg, M., Zhao, X., Mantei, R., Nienaber, V.L., Stewart, K., Klinghofer, V., Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWJ
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-3,4-DIHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE
Authors:Wendt, M.D., Rockway, T.W., Geyer, A., McClellan, W., Weitzberg, M., Zhao, X., Mantei, R., Nienaber, V.L., Stewart, K., Klinghofer, V., Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWK
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE
Authors:Wendt, M.D., Rockway, T.W., Geyer, A., McClellan, W., Weitzberg, M., Zhao, X., Mantei, R., Nienaber, V.L., Stewart, K., Klinghofer, V., Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1SQA
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, SULFATE ION, 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-2-YLAMINO)-2-NAPHTHAMIDE
Authors:Wendt, M.D., Geyer, A., McClellan, W.J., Rockway, T.W., Weitzberg, M., Zhao, X., Stewart, K., Nienaber, V., Klinghofer, V., Giranda, V.L.
Deposit date:2004-03-18
Release date:2004-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
1SQO
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, SULFATE ION, 8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMIDE
Authors:Wendt, M.D., Geyer, A., McClellan, W.J., Rockway, T.W., Weitzberg, M., Zhao, X., Mantei, R., Stewart, K., Nienaber, V., Klinghofer, V., Giranda, V.L.
Deposit date:2004-03-19
Release date:2004-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
1SQT
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SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, 7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE
Authors:Wendt, M.D., Geyer, A., McClellan, W.J., Rockway, T.W., Weitzberg, M., Zhang, X., Mantei, R., Stewart, K., Nienaber, V., Klinghofer, V., Giranda, V.L.
Deposit date:2004-03-19
Release date:2004-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
4O8W
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CRYSTAL STRUCTURE OF THE GERD SPORE GERMINATION PROTEIN
Descriptor:Spore germination protein
Authors:Li, Y., Jin, K., Ghosh, S., Devarakonda, P., Carlson, K., Davis, A., Stewart, K., Cammett, E., Rossi, P.P., Setlow, B., Lu, M., Setlow, P., Hao, B.
Deposit date:2013-12-30
Release date:2014-03-19
Last modified:2014-04-23
Method:X-RAY DIFFRACTION (2.293 Å)
Cite:Structural and Functional Analysis of the GerD Spore Germination Protein of Bacillus Species.
J.Mol.Biol., 426, 2014
2OAG
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV (DPPIV) WITH PYRROLIDINE-CONSTRAINED PHENETHYLAMINE 29G
Descriptor:Dipeptidyl peptidase 4, (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE
Authors:Backes, B.J., Longenecker, K.L., Hamilton, G.L., Stewart, K.D., Lai, C., Kopecka, H.
Deposit date:2006-12-15
Release date:2007-09-11
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit.
Bioorg.Med.Chem.Lett., 17, 2007
2G5P
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV (DPPIV) COMPLEXED WITH CYANOPYRROLIDINE (C5-PRO-PRO) INHIBITOR 21AC
Descriptor:Dipeptidyl peptidase 4, 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID
Authors:Longenecker, K.L., Fry, E.H., Lake, M.R., Solomon, L.R., Pei, Z., Li, X.
Deposit date:2006-02-23
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
2G5T
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV (DPPIV) COMPLEXED WITH CYANOPYRROLIDINE (C5-PRO-PRO) INHIBITOR 21AG
Descriptor:Dipeptidyl peptidase 4, 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID
Authors:Longenecker, K.L., Fry, E.H., Lake, M.R., Solomon, L.R., Pei, Z., Li, X.
Deposit date:2006-02-23
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
2G63
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV (DPPIV) COMPLEXED WITH CYANOPYRROLIDINE (C5-PRO-PRO) INHIBITOR 24B
Descriptor:Dipeptidyl peptidase 4, METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
Authors:Longenecker, K.L., Fry, E.H., Lake, M.R., Solomon, L.R., Pei, Z., Li, X.
Deposit date:2006-02-24
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
2OAE
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CRYSTAL STRUCTURE OF RAT DIPEPTIDYL PEPTIDASE (DPPIV) WITH THIAZOLE-BASED PEPTIDE MIMETIC #31
Descriptor:Dipeptidyl peptidase 4, SULFATE ION, N-{[(3S,5S)-5-(1,3-THIAZOLIDIN-3-YLCARBONYL)PYRROLIDIN-3-YL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE
Authors:Longenecker, K.L., Shuai, Q., Patel, J., Wiedeman, P.
Deposit date:2006-12-15
Release date:2007-02-27
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit.
Bioorg.Med.Chem.Lett., 17, 2007
1U6Q
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SUBSTITUTED 2-NAPHTHAMADINE INHIBITORS OF UROKINASE
Descriptor:Urokinase-type plasminogen activator, TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE
Authors:Bruncko, M., McClellan, W., Wendt, M.D., Sauer, D.R., Geyer, A., Dalton, C.R., Kaminski, M.K., Nienaber, V.L., Rockway, T.R., Giranda, V.L.
Deposit date:2004-07-30
Release date:2004-10-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 15, 2005
1ZAP
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SECRETED ASPARTIC PROTEASE FROM C. ALBICANS
Descriptor:SECRETED ASPARTIC PROTEINASE, ZINC ION, N-ethyl-N-[(4-methylpiperazin-1-yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hydroxy-5-methylhexyl]-L-norleucinamide
Authors:Abad-Zapatero, C., Muchmore, S.W.
Deposit date:1996-01-16
Release date:1997-04-21
Last modified:2012-01-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a secreted aspartic protease from C. albicans complexed with a potent inhibitor: implications for the design of antifungal agents.
Protein Sci., 5, 1996
4CL8
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CRYSTAL STRUCTURE OF PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN TERNARY COMPLEX WITH COFACTOR AND INHIBITOR
Descriptor:PTERIDINE REDUCTASE 1, 2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L., Hunter, W.N.
Deposit date:2014-01-13
Release date:2015-01-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLD
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CRYSTAL STRUCTURE OF PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN TERNARY COMPLEX WITH COFACTOR AND INHIBITOR
Descriptor:PTERIDINE REDUCTASE 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-amino-4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ...
Authors:Barrack, K.L., Hunter, W.N.
Deposit date:2014-01-14
Release date:2015-01-21
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLE
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CRYSTAL STRUCTURE OF PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN TERNARY COMPLEX WITH COFACTOR AND INHIBITOR
Descriptor:PTERIDINE REDUCTASE 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine, ...
Authors:Barrack, K.L., Hunter, W.N.
Deposit date:2014-01-14
Release date:2015-01-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLH
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CRYSTAL STRUCTURE OF PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN TERNARY COMPLEX WITH COFACTOR AND INHIBITOR
Descriptor:PTERIDINE REDUCTASE 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidin-2-amine, ...
Authors:Barrack, K.L., Hunter, W.N.
Deposit date:2014-01-14
Release date:2015-01-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLO
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CRYSTAL STRUCTURE OF PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN TERNARY COMPLEX WITH COFACTOR AND INHIBITOR
Descriptor:PTERIDINE REDUCTASE 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine, ...
Authors:Barrack, K.L., Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLR
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CRYSTAL STRUCTURE OF PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN TERNARY COMPLEX WITH COFACTOR AND INHIBITOR
Descriptor:PTERIDINE REDUCTASE 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-amino-5-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
Authors:Barrack, K.L., Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLX
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CRYSTAL STRUCTURE OF PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN TERNARY COMPLEX WITH COFACTOR AND INHIBITOR
Descriptor:PTERIDINE REDUCTASE 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-amino-5-(p-tolyl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ...
Authors:Barrack, K.L., Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CM1
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CRYSTAL STRUCTURE OF PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN TERNARY COMPLEX WITH COFACTOR AND INHIBITOR
Descriptor:PTERIDINE REDUCTASE 1, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L., Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
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