3H4R
 
 | | Crystal structure of E. coli RecE exonuclease | | Descriptor: | Exodeoxyribonuclease 8 | | Authors: | Bell, C.E, Zhang, J. | | Deposit date: | 2009-04-20 | | Release date: | 2009-05-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of E. coli RecE protein reveals a toroidal tetramer for processing double-stranded DNA breaks.
Structure, 17, 2009
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5HPI
 | | Crystal Structure of the Double Mutant of PobR Transcription Factor Inducer Binding Domain-3-Hydroxy Benzoic Acid complex from Acinetobacter | | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXYBENZOIC ACID, SULFATE ION, ... | | Authors: | Kim, Y, Tesar, C, Jedrejczak, R, Jha, R, Strauss, C.E.M, Joachimiak, A. | | Deposit date: | 2016-01-20 | | Release date: | 2016-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.963 Å) | | Cite: | A microbial sensor for organophosphate hydrolysis exploiting an engineered specificity switch in a transcription factor.
Nucleic Acids Res., 44, 2016
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7P2W
 | | E.coli GyrB24 with inhibitor LMD92 (EBL2682) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, ... | | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7P2X
 | | E.coli GyrB24 with inhibitor KOB20 (EBL2583) | | Descriptor: | (2Z)-2-[[4,5-bis(bromanyl)-1H-pyrrol-2-yl]carbonylimino]-3-(phenylmethyl)-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Benek, O, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | E.coli GyrB24 with inhibitor KOB20 (EBL2583)
TO BE PUBLISHED
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7P2M
 | | E.coli GyrB24 with inhibitor LMD43 (EBL2560) | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7P2N
 | | E.coli GyrB24 with inhibitor LSJ38 (EBL2684) | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Exploring the 5-Substituted 2-Aminobenzothiazole-Based DNA Gyrase B Inhibitors Active against ESKAPE Pathogens.
Acs Omega, 8, 2023
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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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4ZZ3
 | | Human GAR transformylase in complex with GAR and pemetrexed | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]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: | 2015-12-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.504 Å) | | Cite: | 6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
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7P56
 | | Variant Surface Glycoprotein 2 (VSG2, MiTat1.2, VSG221) Bound to Calcium | | Descriptor: | CALCIUM ION, Variant surface glycoprotein MITAT 1.2, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | Deposit date: | 2021-07-14 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.735 Å) | | Cite: | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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5HVD
 | | Full length Open-form Sodium Channel NavMs I218C | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECAETHYLENE GLYCOL, HEGA-10, ... | | Authors: | Sula, A, Booker, J.E, Naylor, C.E, Wallace, B.A. | | Deposit date: | 2016-01-28 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The complete structure of an activated open sodium channel.
Nat Commun, 8, 2017
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7P5D
 | | Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) mutant (serine 317 and 319 to alanine) | | Descriptor: | Variant surface glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | Deposit date: | 2021-07-14 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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7P4R
 | | Ultra High Resolution X-ray Structure of Orthorhombic Bovine Pancreatic Ribonuclease at 100K | | Descriptor: | ETHANOL, Ribonuclease pancreatic, SULFATE ION | | Authors: | Lisgarten, D.R, Palmer, R.A, Cooper, J.B, Naylor, C.E, Howlin, B.J, Lisgarten, J.N, Najmudin, S, Lobley, C.M.C. | | Deposit date: | 2021-07-12 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Ultra-high resolution X-ray structure of orthorhombic bovine pancreatic Ribonuclease A at 100K.
BMC Chem, 17, 2023
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7P57
 | | VSG2 mutant structure lacking the calcium binding pocket | | Descriptor: | Variant surface glycoprotein MITAT 1.2, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | Deposit date: | 2021-07-14 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.961 Å) | | Cite: | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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7P59
 | | Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) with two O-linked post-translational modifications | | Descriptor: | Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gkeka, A, Arest-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | Deposit date: | 2021-07-14 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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7P5B
 | | Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) mutant (serine 319 to alanine), single O-linked glycosylated at Ser317 | | Descriptor: | Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | Deposit date: | 2021-07-14 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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7P5A
 | | Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) mutant (serine 317 to alanine), single O-linked glycosylated at Ser319 | | Descriptor: | Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | Deposit date: | 2021-07-14 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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5IC0
 | | Structural analysis of a talin triple domain module | | Descriptor: | 1,2-ETHANEDIOL, Talin-1 | | Authors: | Wu, J, Chang, Y.-C.E, Zhang, H, Brennan, M.L. | | Deposit date: | 2016-02-22 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural and Functional Analysis of a Talin Triple-Domain Module Suggests an Alternative Talin Autoinhibitory Configuration.
Structure, 24, 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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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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4ZZ2
 | | HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({5-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-3-CARBONYL}-AMINO)-PENTANEDIOIC ACID | | Descriptor: | (S)-2-({5-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-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: | 2015-12-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | 6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
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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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4ZRT
 | | PTP1BC215S bound to Nephrin peptide substrate | | Descriptor: | CHLORIDE ION, GLY-PRO-LEU-PTR-ASP-GLU, GLYCEROL, ... | | Authors: | Selner, N.G, Bell, C.E, Pei, D. | | Deposit date: | 2015-05-12 | | Release date: | 2015-06-24 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Diverse levels of sequence selectivity and catalytic efficiency of protein-tyrosine phosphatases.
Biochemistry, 53, 2014
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5A6R
 | | Crystal structure of the BTB domain of human KCTD17 | | Descriptor: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD17 | | Authors: | Pinkas, D.M, Sorrell, F, Sanvitale, C.E, Goubin, S, Williams, E, Newman, J.A, Pearce, N.M, Neshich, I, Pike, A.C.W, MacKenzie, A, Quigley, A, Faust, B, Carpenter, E.P, Tallant, C, Kopec, J, Chalk, R, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2015-06-30 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
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4ZZ1
 | | HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({4-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-2-CARBONYL}-AMINO)-PENTANEDIOIC ACID | | Descriptor: | (S)-2-({4-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-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: | 2015-12-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.351 Å) | | Cite: | 6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
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