6OR8
 
 | | An Unexpected Intermediate in the Reaction Catalyzed by Quinolinate Synthase | | Descriptor: | 2-hydroxy-N-[(1S)-1-hydroxy-3-oxopropyl]-L-aspartic acid, IRON/SULFUR CLUSTER, PHOSPHATE ION, ... | | Authors: | Esakova, O.A, Grove, T.L, Yennawar, N.H, Booker, S.J. | | Deposit date: | 2019-04-29 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019
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4ZK6
 | | Crystallographic Capture of Quinolinate Synthase (NadA) from Pyrococcus horikoshii in its Substrates and Product-Bound States | | Descriptor: | ACETATE ION, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | | Authors: | Esakova, O.A, Grove, T.L, Saunders, A.H, Yennawar, N.H, Booker, S.J. | | Deposit date: | 2015-04-29 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Structure of Quinolinate Synthase from Pyrococcus horikoshii in the Presence of Its Product, Quinolinic Acid.
J.Am.Chem.Soc., 138, 2016
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6DMP
 | | De Novo Design of a Protein Heterodimer with Specificity Mediated by Hydrogen Bond Networks | | Descriptor: | Designed orthogonal protein DHD13_XAAA_A, Designed orthogonal protein DHD13_XAAA_B | | Authors: | Chen, Z, Flores-Solis, D, Sgourakis, N.G, Baker, D. | | Deposit date: | 2018-06-05 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
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5UY8
 | | Crystal structure of AICARFT bound to an antifolate | | Descriptor: | 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, ... | | Authors: | Wang, J, Wang, Y, Fales, K.R, Atwell, S, Clawson, D. | | Deposit date: | 2017-02-23 | | Release date: | 2018-01-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
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5UZ0
 | | Crystal structure of AICARFT bound to an antifolate | | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, MAGNESIUM ION, ... | | Authors: | Atwell, S, Wang, Y, Fales, K.R, Clawson, D, Wang, J. | | Deposit date: | 2017-02-24 | | Release date: | 2018-01-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
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2B1I
 | | crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | | Descriptor: | Bifunctional purine biosynthesis protein PURH, POTASSIUM ION, [3,4-DIHYDROXY-5R-(2,2,4-TRIOXO-1,2R,3S,4R-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-7-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE | | Authors: | Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | | Deposit date: | 2005-09-15 | | Release date: | 2006-11-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure-based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase.
J.Biol.Chem., 282, 2007
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1ZLY
 | | The structure of human glycinamide ribonucleotide transformylase in complex with alpha,beta-N-(hydroxyacetyl)-D-ribofuranosylamine and 10-formyl-5,8,dideazafolate | | Descriptor: | 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID, 5-O-phosphono-beta-D-ribofuranosylamine, Phosphoribosylglycinamide formyltransferase | | Authors: | Dahms, T.E.S, Sainz, G, Giroux, E.L, Caperelli, C.A, Smith, J.L. | | Deposit date: | 2005-05-09 | | Release date: | 2005-08-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The apo and ternary complex structures of a chemotherapeutic target: human glycinamide ribonucleotide transformylase.
Biochemistry, 44, 2005
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1ZLX
 | | The apo structure of human glycinamide ribonucleotide transformylase | | Descriptor: | GLYCEROL, Phosphoribosylglycinamide formyltransferase | | Authors: | Dahms, T.E, Sainz, G, Giroux, E.L, Caperelli, C.A, Smith, J.L. | | Deposit date: | 2005-05-09 | | Release date: | 2005-08-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The apo and ternary complex structures of a chemotherapeutic target: human glycinamide ribonucleotide transformylase.
Biochemistry, 44, 2005
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2B1G
 | | Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | | Descriptor: | 7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-4S-ONE, Bifunctional purine biosynthesis protein PURH, PHOSPHATE ION, ... | | Authors: | Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | | Deposit date: | 2005-09-15 | | Release date: | 2006-11-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase.
J.Biol.Chem., 282, 2007
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3NVA
 | | Dimeric form of CTP synthase from Sulfolobus solfataricus | | Descriptor: | CTP synthase | | Authors: | Harris, P, Willemoes, M, Lauritsen, I, Johansson, E, Jensen, K.F. | | Deposit date: | 2010-07-08 | | Release date: | 2010-09-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.504 Å) | | Cite: | Structure of the dimeric form of CTP synthase from Sulfolobus solfataricus
Acta Crystallogr.,Sect.F, 67, 2011
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1IBJ
 | | Crystal structure of cystathionine beta-lyase from Arabidopsis thaliana | | Descriptor: | CARBONATE ION, CYSTATHIONINE BETA-LYASE, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Breitinger, U, Clausen, T, Messerschmidt, A. | | Deposit date: | 2001-03-28 | | Release date: | 2001-04-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The three-dimensional structure of cystathionine beta-lyase from Arabidopsis and its substrate specificity
Plant Physiol., 126, 2001
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4F34
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4ZYY
 | | Human GAR transformylase in complex with GAR and (S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]-pyrimidin-6-yl)butyl]thiophene-3-carbonyl}amino)pentanedioic acid (AGF118) | | Descriptor: | (S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]-pyrimidin-6-yl)butyl]thiophene-3-carbonyl}amino)pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Deis, S.M, Dann III, C.E. | | Deposit date: | 2015-05-22 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and Enzymatic Analysis of Tumor-Targeted Antifolates That Inhibit Glycinamide Ribonucleotide Formyltransferase.
Biochemistry, 55, 2016
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4ZZ0
 | | Human GAR transformylase in complex with GAR and (S)-2-(8-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)octanamido)pentanedioic acid (AGF147) | | Descriptor: | (S)-2-(8-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)octanamido)pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Deis, S.M, Dann III, C.E. | | Deposit date: | 2015-05-22 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and Enzymatic Analysis of Tumor-Targeted Antifolates That Inhibit Glycinamide Ribonucleotide Formyltransferase.
Biochemistry, 55, 2016
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4ZYX
 | | Human GAR transformylase in complex with GAR and (S)-2-({4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]-pyrimidin-6-yl)butyl]thiophene-2-carbonyl}amino)pentanedioic acid (AGF117) | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-({4-[4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Deis, S.M, Dann III, C.E. | | Deposit date: | 2015-05-22 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and Enzymatic Analysis of Tumor-Targeted Antifolates That Inhibit Glycinamide Ribonucleotide Formyltransferase.
Biochemistry, 55, 2016
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4ZYZ
 | | Human GAR transformylase in complex with GAR and (S)-2-(7-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)heptanamido)pentanedioic acid (AGF145) | | Descriptor: | (S)-2-(7-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)heptanamido)pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Deis, S.M, Dann III, C.E. | | Deposit date: | 2015-05-22 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Enzymatic Analysis of Tumor-Targeted Antifolates That Inhibit Glycinamide Ribonucleotide Formyltransferase.
Biochemistry, 55, 2016
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4ZYT
 | | Human GAR transformylase in complex with GAR and N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)benzyl]benzoyl}-L-glutamic acid (AGF23) | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Deis, S.M, Dann III, C.E. | | Deposit date: | 2015-05-22 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Structural and Enzymatic Analysis of Tumor-Targeted Antifolates That Inhibit Glycinamide Ribonucleotide Formyltransferase.
Biochemistry, 55, 2016
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4ZYV
 | | Human GAR transformylase in complex with GAR and N-({5-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-L-glutamic acid (AGF71) | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-({5-[4-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Deis, S.M, Dann III, C.E. | | Deposit date: | 2015-05-22 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.053 Å) | | Cite: | Structural and Enzymatic Analysis of Tumor-Targeted Antifolates That Inhibit Glycinamide Ribonucleotide Formyltransferase.
Biochemistry, 55, 2016
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4ZYU
 | | Human GAR transformylase in complex with GAR and N-{4-[4-(2-Amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-butyl]benzoyl}-L-glutamic acid (AGF50) | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Deis, S.M, Dann III, C.E. | | Deposit date: | 2015-05-22 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Enzymatic Analysis of Tumor-Targeted Antifolates That Inhibit Glycinamide Ribonucleotide Formyltransferase.
Biochemistry, 55, 2016
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4ZYW
 | | Human GAR transformylase in complex with GAR and N-({5-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl}carbonyl)-L-glutamic acid (AGF94) | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-({5-[3-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl}carbonyl)-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Deis, S.M, Dann III, C.E. | | Deposit date: | 2015-05-22 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural and Enzymatic Analysis of Tumor-Targeted Antifolates That Inhibit Glycinamide Ribonucleotide Formyltransferase.
Biochemistry, 55, 2016
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4YIW
 | | DIHYDROOROTASE FROM BACILLUS ANTHRACIS WITH SUBSTRATE BOUND | | Descriptor: | Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ZINC ION | | Authors: | Lei, H, Santarsiero, B.D, Rice, A.J, Lee, H, Johnson, M.E. | | Deposit date: | 2015-03-02 | | Release date: | 2016-08-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Ca-asp bound X-ray structure and inhibition of Bacillus anthracis dihydroorotase (DHOase).
Bioorg.Med.Chem., 24, 2016
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4HXT
 | | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR329 | | Descriptor: | De Novo Protein OR329 | | Authors: | Vorobiev, S, Su, M, Parmeggiani, F, Seetharaman, J, Huang, P.-S, Maglaqui, M, Xiao, X, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-11-12 | | Release date: | 2012-11-21 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Computational design of self-assembling cyclic protein homo-oligomers.
NAT.CHEM., 9, 2017
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4FYM
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2QK4
 | | Human glycinamide ribonucleotide synthetase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Lehtio, L, Welin, M, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Herman, M.D, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-10 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural studies of tri-functional human GART.
Nucleic Acids Res., 38, 2010
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2GCQ
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