Author results

3HJ3
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CRYSTAL STRUCTURE OF THE CHTS-DHFR F207A NON-ACTIVE SITE MUTANT
Descriptor:Chain A, crystal structure of Dhfr, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ...
Authors:Anderson, K.S., Martucci, W.E.
Deposit date:2009-05-20
Release date:2010-06-02
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Exploring novel strategies for AIDS protozoal pathogens: alpha-helix mimetics targeting a key allosteric protein-protein interaction in C. hominis TS-DHFR.
Medchemcomm, 4, 2013
1C29
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CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID
Descriptor:TRYPTOPHAN SYNTHASE, 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID, SODIUM ION, ...
Authors:Sachpatzidis, A., Dealwis, C., Lubetsky, J.B., Liang, P.H., Anderson, K.S., Lolis, E.
Deposit date:1999-07-23
Release date:2000-01-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Biochemistry, 38, 1999
1C8V
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CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLTHIO)-BUTYLPHOSPHONIC ACID
Descriptor:TRYPTOPHAN SYNTHASE; ALPHA CHAIN, TRYPTOPHAN SYNTHASE; BETA CHAIN, 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID, ...
Authors:Sachpatzidis, A., Dealwis, C., Lubetsky, J.B., Liang, P.H., Anderson, K.S., Lolis, E.
Deposit date:1999-07-30
Release date:2000-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Biochemistry, 38, 1999
1CW2
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CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID
Descriptor:TRYPTOPHAN SYNTHASE (ALPHA CHAIN), TRYPTOPHAN SYNTHASE (BETA CHAIN), 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID, ...
Authors:Sachpatzidis, A., Dealwis, C., Lubetsky, J.B., Liang, P.H., Anderson, K.S., Lolis, E.
Deposit date:1999-08-25
Release date:1999-12-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Biochemistry, 38, 1999
1CX9
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CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID
Descriptor:TRYPTOPHAN SYNTHASE (ALPHA CHAIN), TRYPTOPHAN SYNTHASE (BETA CHAIN), 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID, ...
Authors:Sachpatzidis, A., Dealwis, C., Lubetsky, J.B., Liang, P.H., Anderson, K.S., Lolis, E.
Deposit date:1999-08-29
Release date:1999-12-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Biochemistry, 38, 1999
1A50
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CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE
Descriptor:TRYPTOPHAN SYNTHASE (ALPHA CHAIN), TRYPTOPHAN SYNTHASE (BETA CHAIN), 5-FLUOROINDOLE PROPANOL PHOSPHATE, ...
Authors:Schneider, T.R., Gerhardt, E., Lee, M., Liang, P.-H., Anderson, K.S., Schlichting, I.
Deposit date:1998-02-18
Release date:1999-03-30
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Loop closure and intersubunit communication in tryptophan synthase.
Biochemistry, 37, 1998
1A5S
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CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE AND L-SER BOUND AS AMINO ACRYLATE TO THE BETA SITE
Descriptor:TRYPTOPHAN SYNTHASE (ALPHA CHAIN), TRYPTOPHAN SYNTHASE (BETA CHAIN), 5-FLUOROINDOLE PROPANOL PHOSPHATE, ...
Authors:Schneider, T.R., Gerhardt, E., Lee, M., Liang, P.-H., Anderson, K.S., Schlichting, I.
Deposit date:1998-02-17
Release date:1999-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Loop closure and intersubunit communication in tryptophan synthase.
Biochemistry, 37, 1998
1EPS
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STRUCTURE AND TOPOLOGICAL SYMMETRY OF THE GLYPHOSPHATE 5-ENOL-PYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE: A DISTINCTIVE PROTEIN FOLD
Descriptor:5-ENOL-PYRUVYL-3-PHOSPHATE SYNTHASE
Authors:Stallings, W.C., Abdel-Meguid, S.S., Lim, L.W., Shieh, H.-S., Dayringer, H.E., Leimgruber, N.K., Stegeman, R.A., Anderson, K.S., Sikorski, J.A., Padgette, S.R., Kishore, G.M.
Deposit date:1991-04-05
Release date:1993-07-15
Last modified:2013-01-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and topological symmetry of the glyphosate target 5-enolpyruvylshikimate-3-phosphate synthase: a distinctive protein fold.
Proc.Natl.Acad.Sci.USA, 88, 1991
2WSY
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CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE
Descriptor:TRYPTOPHAN SYNTHASE, SODIUM ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Schneider, T.R., Gerhardt, E., Lee, M., Liang, P.-H., Anderson, K.S., Schlichting, I.
Deposit date:1998-02-18
Release date:1999-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Loop closure and intersubunit communication in tryptophan synthase.
Biochemistry, 37, 1998
3DG8
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QUADRUPLE MUTANT (N51I+C59R+S108N+I164L) PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PFDHFR-TS) COMPLEXED WITH RJF670, NADPH, AND DUMP
Descriptor:Bifunctional dihydrofolate reductase-thymidylate synthase, N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Dasgupta, T., Chitnumsub, P., Maneeruttanarungroj, C., Kamchonwongpaisan, S., Nichols, S., Lyons, T.M., Tirado-Rives, J., Jorgensen, W.L., Yuthavong, Y., Anderson, K.S.
Deposit date:2008-06-13
Release date:2009-01-27
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria.
Acs Chem.Biol., 4, 2009
3DGA
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WILD-TYPE PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PFDHFR-TS) COMPLEXED WITH RJF01302, NADPH, AND DUMP
Descriptor:Bifunctional dihydrofolate reductase-thymidylate synthase, N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Dasgupta, T., Chitnumsub, P., Maneeruttanarungroj, C., Kamchonwongpaisan, S., Nichols, S., Lyons, T.M., Tirado-Rives, J., Jorgensen, W.L., Yuthavong, Y., Anderson, K.S.
Deposit date:2008-06-13
Release date:2009-01-27
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria.
Acs Chem.Biol., 4, 2009
3DL5
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CRYSTAL STRUCTURE OF THE A287F ACTIVE SITE MUTANT OF TS-DHFR FROM CRYPTOSPORIDIUM HOMINIS
Descriptor:Dihydrofolate reductase, DHFR, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ...
Authors:Vargo, M.A., Martucci, W.E., Anderson, K.S.
Deposit date:2008-06-26
Release date:2008-08-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Explaining an unusually fast parasitic enzyme: folate tail-binding residues dictate substrate positioning and catalysis in Cryptosporidium hominis thymidylate synthase.
Biochemistry, 47, 2008
3DL6
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CRYSTAL STRUCTURE OF THE A287F/S290G ACTIVE SITE MUTANT OF TS-DHFR FROM CRYPTOSPORIDIUM HOMINIS
Descriptor:Dihydrofolate reductase, DHFR, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ...
Authors:Martucci, W.E., Vargo, M.A., Anderson, K.S.
Deposit date:2008-06-26
Release date:2008-08-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Explaining an unusually fast parasitic enzyme: folate tail-binding residues dictate substrate positioning and catalysis in Cryptosporidium hominis thymidylate synthase.
Biochemistry, 47, 2008
4ECK
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CRYSTAL STRUCTURE OF THE TOXOPLASMA GONDII TS-DHFR
Descriptor:Bifunctional dihydrofolate reductase-thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, ...
Authors:Sharma, H., Anderson, K.S.
Deposit date:2012-03-26
Release date:2013-10-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.516 Å)
Cite:First Three-Dimensional Structure of Toxoplasma gondii Thymidylate Synthase-Dihydrofolate Reductase: Insights for Catalysis, Interdomain Interactions, and Substrate Channeling.
Biochemistry, 52, 2013
4H4M
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH (E)-3-(3-CHLORO-5-(4-CHLORO-2-(2-(2,4-DIOXO-3,4- DIHYDROPYRIMIDIN-1(2H)-YL)ETHOXY)PHENOXY)PHENYL)ACRYLONITRILE (JLJ494), A NON-NUCLEOSIDE INHIBITOR
Descriptor:Reverse transcriptase/ribonuclease H, Exoribonuclease H, p66 RT, ...
Authors:Frey, K.M., Anderson, K.S.
Deposit date:2012-09-17
Release date:2012-12-05
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design.
J.Am.Chem.Soc., 134, 2012
4H4O
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH (E)-3-(3-(2-(2-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)ETHOXY)- 4-FLUOROPHENOXY)-5-FLUOROPHENYL)ACRYLONITRILE (JLJ506), A NON-NUCLEOSIDE INHIBITOR
Descriptor:Reverse transcriptase/ribonuclease H, Exoribonuclease H, p66 RT, ...
Authors:Frey, K.M., Anderson, K.S.
Deposit date:2012-09-17
Release date:2012-12-05
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design.
J.Am.Chem.Soc., 134, 2012
4KKO
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 4-((4-METHOXY-6-(2-MORPHOLINOETHOXY)-1,3,5-TRIAZIN-2-YL)AMINO)-2-((3-METHYLBUT-2-EN-1-YL)OXY)BENZONITRILE (JLJ513), A NON-NUCLEOSIDE INHIBITOR
Descriptor:HIV-1 reverse transcriptase, p66 subunit, p51 subunit, ...
Authors:Frey, K.M., Anderson, K.S.
Deposit date:2013-05-06
Release date:2013-08-14
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility.
Bioorg.Med.Chem.Lett., 23, 2013
4KY4
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CRYSTAL STRUCTURE OF NON-CLASSICAL TS INHIBITOR 2 IN COMPLEX WITH TOXOPLASMA GONDII TS-DHFR
Descriptor:Bifunctional dihydrofolate reductase-thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Aminopterin, ...
Authors:Sharma, H., Anderson, K.S.
Deposit date:2013-05-28
Release date:2014-08-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Discovery of potent and selective inhibitors of Toxoplasma gondii thymidylate synthase for opportunistic infections.
ACS Med Chem Lett, 4, 2013
4KY8
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CRYSTAL STRUCTURE OF TS-DHFR FROM CRYPTOSPORIDIUM HOMINIS IN COMPLEX WITH NADPH, METHOTREXATE, FDUMP AND 4-((2-AMINO-6-METHYL-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)THIO)-2-CHLOROPHENYL)-L-GLUTAMIC ACID
Descriptor:Bifunctional thymidylate synthase-dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, ...
Authors:Kumar, V.P., Anderson, K.S.
Deposit date:2013-05-28
Release date:2013-08-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.084 Å)
Cite:Substituted pyrrolo[2,3-d]pyrimidines as Cryptosporidium hominis thymidylate synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4KYA
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CRYSTAL STRUCTURE OF NON-CLASSICAL TS INHIBITOR 3 IN COMPLEX WITH TOXOPLASMA GONDII TS-DHFR
Descriptor:Bifunctional dihydrofolate reductase-thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-Amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one, ...
Authors:Sharma, H., Anderson, K.S.
Deposit date:2013-05-28
Release date:2014-08-06
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3.263 Å)
Cite:Discovery of potent and selective inhibitors of Toxoplasma gondii thymidylate synthase for opportunistic infections.
ACS Med Chem Lett, 4, 2013
4LSL
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH (E)-3-(3-(4-CHLORO-2-(2-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)ETHOXY)PHENOXY)PHENYL)ACRYLONITRILE (JLJ476), A NON-NUCLEOSIDE INHIBITOR
Descriptor:HIV-1 reverse transcriptase, p66 subunit, p51 subunit, ...
Authors:Frey, K.M., Anderson, K.S.
Deposit date:2013-07-22
Release date:2013-12-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase.
Chem.Biol.Drug Des., 83, 2014
4LSN
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH (E)-3-(3-BROMO-5-(4-CHLORO-2-(2-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)ETHOXY)PHENOXY)PHENYL)ACRYLONITRILE (JLJ518), A NON-NUCLEOSIDE INHIBITOR
Descriptor:HIV-1 reverse transcriptase, p66 subunit, p51 subunit, ...
Authors:Gray, W.T., Frey, K.M., Anderson, K.S.
Deposit date:2013-07-22
Release date:2013-12-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase.
Chem.Biol.Drug Des., 83, 2014
4MFB
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 8-(2-(2-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)ETHOXY)PHENOXY)INDOLIZINE-2-CARBONITRILE (JLJ555), A NON-NUCLEOSIDE INHIBITOR
Descriptor:HIV-1 reverse transcriptase, p66 subunit, p51 subunit, ...
Authors:Frey, K.M., Anderson, K.S.
Deposit date:2013-08-27
Release date:2013-11-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Picomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl Group.
J.Am.Chem.Soc., 135, 2013
4O44
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 4-((4-(MESITYLAMINO)-6-(3-MORPHOLINOPROPOXY)-1,3,5-TRIAZIN-2-YL)AMINO)BENZONITRILE (JLJ529), A NON-NUCLEOSIDE INHIBITOR
Descriptor:HIV-1 reverse transcriptase, p66 subunit, p51 subunit, ...
Authors:Mislak, A.C., Frey, K.M., Anderson, K.S.
Deposit date:2013-12-18
Release date:2014-05-21
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.889 Å)
Cite:A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase.
Biochim.Biophys.Acta, 1840, 2014
4Q0D
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CRYSTAL STRUCTURE OF TS-DHFR FROM CRYPTOSPORIDIUM HOMINIS IN COMPLEX WITH NADPH, FDUMP, METHOTREXATE AND 2-AMINO-4-OXO-4,7-DIHYDRO-PYRROLO[2,3-D]PYRIMIDINE-METHYL-PHENYL-L-GLUTAMIC ACID.
Descriptor:Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, ...
Authors:Kumar, V.P., Anderson, K.S.
Deposit date:2014-04-01
Release date:2014-10-15
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.449 Å)
Cite:Structural studies provide clues for analog design of specific inhibitors of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase.
Bioorg.Med.Chem.Lett., 24, 2014
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