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1EV5
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CRYSTAL STRUCTURE ANALYSIS OF ALA167 MUTANT OF ESCHERICHIA COLI
Descriptor:THYMIDYLATE SYNTHASE, SULFATE ION
Authors:Phan, J., Mahdavian, E., Nivens, M.C., Minor, W., Berger, S., Spencer, H.T., Dunlap, R.B., Lebioda, L.
Deposit date:2000-04-19
Release date:2000-05-03
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
1EV8
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CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI
Descriptor:THYMIDYLATE SYNTHASE
Authors:Phan, J., Mahdavian, E., Nivens, M.C., Minor, W., Berger, S., Spencer, H.T., Dunlap, R.B., Lebioda, L.
Deposit date:2000-04-19
Release date:2000-05-03
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
1EVF
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CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI
Descriptor:THYMIDYLATE SYNTHASE, SULFATE ION
Authors:Phan, J., Mahdavian, E., Nivens, M.C., Minor, W., Berger, S., Spencer, H.T., Dunlap, R.B., Lebioda, L.
Deposit date:2000-04-19
Release date:2000-05-03
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
1EVG
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CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI WITH UNMODIFIED CATALYTIC CYSTEINE
Descriptor:THYMIDYLATE SYNTHASE, SULFATE ION
Authors:Phan, J., Mahdavian, E., Nivens, M.C., Minor, W., Berger, S., Spencer, H.T., Dunlap, R.B., Lebioda, L.
Deposit date:2000-04-19
Release date:2000-05-03
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
1HVY
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HUMAN THYMIDYLATE SYNTHASE COMPLEXED WITH DUMP AND RALTITREXED, AN ANTIFOLATE DRUG, IS IN THE CLOSED CONFORMATION
Descriptor:THYMIDYLATE SYNTHASE, TOMUDEX, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ...
Authors:Phan, J., Koli, S., Minor, W., Dunlap, R.B., Berger, S.H., Lebioda, L.
Deposit date:2001-01-08
Release date:2001-01-31
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human thymidylate synthase is in the closed conformation when complexed with dUMP and raltitrexed, an antifolate drug
Biochemistry, 40, 2001
1HW3
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STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS
Descriptor:THYMIDYLATE SYNTHASE, SULFATE ION, 1,2-ETHANEDIOL
Authors:Phan, J., Steadman, J.D., Koli, S., Ding, W.C., Minor, W., Dunlap, R.B., Berger, S.H., Lebioda, L.
Deposit date:2001-01-09
Release date:2001-01-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
1HW4
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STRUCTURE OF THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS
Descriptor:THYMIDYLATE SYNTHASE, SULFATE ION, 1,2-ETHANEDIOL
Authors:Phan, J., Steadman, J.D., Koli, S., Ding, W.C., Minor, W., Dunlap, R.B., Berger, S.H., Lebioda, L.
Deposit date:2001-01-09
Release date:2001-01-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
1LVB
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CATALYTICALLY INACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH SUBSTRATE
Descriptor:CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE, GLYCEROL
Authors:Phan, J., Zdanov, A., Evdokimov, A.G., Tropea, J.E., Peters III, H.K., Kapust, R.B., Li, M., Wlodawer, A., Waugh, D.S.
Deposit date:2002-05-28
Release date:2002-11-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the substrate specificity of tobacco etch virus protease.
J.Biol.Chem., 277, 2002
1LVM
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CATALYTICALLY ACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH PRODUCT
Descriptor:CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE
Authors:Phan, J., Zdanov, A., Evdokimov, A.G., Tropea, J.E., Peters III, H.K., Kapust, R.B., Li, M., Wlodawer, A., Waugh, D.S.
Deposit date:2002-05-28
Release date:2002-11-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the substrate specificity of tobacco etch virus protease.
J.Biol.Chem., 277, 2002
1QZ0
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CRYSTAL STRUCTURE OF THE YERSINIA PESTIS PHOSPHATASE YOPH IN COMPLEX WITH A PHOSPHOTYROSYL MIMETIC-CONTAINING HEXAPEPTIDE
Descriptor:Protein-tyrosine phosphatase yopH, ASP-ALA-ASP-GLU-FTY-LEU-NH2
Authors:Phan, J., Lee, K., Cherry, S., Tropea, J.E., Burke Jr, T.R., Waugh, D.S.
Deposit date:2003-09-15
Release date:2003-11-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-Resolution Structure of the Yersinia pestis Protein Tyrosine Phosphatase YopH in Complex with a Phosphotyrosyl Mimetic-Containing Hexapeptide
Biochemistry, 42, 2003
1TTW
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CRYSTAL STRUCTURE OF THE YERSINIA PESTIS TYPE III SECRETION CHAPERONE SYCH IN COMPLEX WITH A STABLE FRAGMENT OF YSCM2
Descriptor:secretion chaperone, YscM2
Authors:Phan, J., Tropea, J.E., Waugh, D.S.
Deposit date:2004-06-23
Release date:2004-08-31
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure of the Yersinia pestis type III secretion chaperone SycH in complex with a stable fragment of YscM2.
Acta Crystallogr.,Sect.D, 60, 2004
1ZW0
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CRYSTAL STRUCTURE OF THE YERSINIA TYPE III SECRETION PROTEIN YSCE
Descriptor:type III secretion protein
Authors:Phan, J., Austin, B.P., Waugh, D.S.
Deposit date:2005-06-03
Release date:2005-08-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the Yersinia type III secretion protein YscE
Protein Sci., 14, 2005
2AOA
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CRYSTAL STRUCTURES OF A HIGH-AFFINITY MACROCYCLIC PEPTIDE MIMETIC IN COMPLEX WITH THE GRB2 SH2 DOMAIN
Descriptor:Growth factor receptor-bound protein 2, 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL
Authors:Phan, J., Shi, Z.D., Burke, T.R., Waugh, D.S.
Deposit date:2005-08-12
Release date:2005-10-04
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain.
J.Mol.Biol., 353, 2005
2AOB
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CRYSTAL STRUCTURES OF A HIGH-AFFINITY MACROCYCLIC PEPTIDE MIMETIC IN COMPLEX WITH THE GRB2 SH2 DOMAIN
Descriptor:Growth factor receptor-bound protein 2, 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID
Authors:Phan, J., Shi, Z.D., Burke, T.R., Waugh, D.S.
Deposit date:2005-08-12
Release date:2005-10-04
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain.
J.Mol.Biol., 353, 2005
2P4D
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STRUCTURE-ASSISTED DISCOVERY OF VARIOLA MAJOR H1 PHOSPHATASE INHIBITORS
Descriptor:Dual specificity protein phosphatase
Authors:Phan, J., Tropea, J.E., Waugh, D.S.
Deposit date:2007-03-12
Release date:2007-05-29
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-assisted discovery of variola major H1 phosphatase inhibitors
Acta Crystallogr.,Sect.D, D63, 2007
6BVI
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RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Abbott, J., Fesik, S.W.
Deposit date:2017-12-13
Release date:2018-10-24
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.746 Å)
Cite:Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
6BVK
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RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Abbott, J., Fesik, S.W.
Deposit date:2017-12-13
Release date:2018-10-24
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
6BVL
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RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRAS, Son of sevenless homolog 1, GTPase HRas, ...
Authors:Phan, J., Abbott, J., Fesik, S.W.
Deposit date:2017-12-13
Release date:2018-10-24
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
6BVM
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RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Abbott, J., Fesik, S.W.
Deposit date:2017-12-13
Release date:2018-10-24
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
6CUO
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RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Abbott, J., Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
6CUP
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RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Abbott, J., Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.833 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
6CUR
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RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Abbott, J., Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
6D55
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RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Hodges, T., Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D56
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RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Hodges, T., Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D59
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RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
Descriptor:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Phan, J., Hodges, T., Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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