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8FJU
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BU of 8fju by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor
Descriptor: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid, Serine hydroxymethyltransferase, ...
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2022-12-20
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
8T4O
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BU of 8t4o by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor with no glutamate
Descriptor: 4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ...
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2023-06-09
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
8TLC
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BU of 8tlc by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and tri-glutamate AGF347 inhibitor
Descriptor: N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid, Serine hydroxymethyltransferase, mitochondrial
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2023-07-26
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
8T4P
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BU of 8t4p by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and di-glutamate AGF347 inhibitor
Descriptor: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid, Serine hydroxymethyltransferase, ...
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2023-06-09
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
7JG3
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BU of 7jg3 by Molmil
Human GAR transformylase in complex with GAR substrate and AGF103 inhibitor
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-L-glutamic acid, SODIUM ION, ...
Authors:Wong-Roushar, J, Dann III, C.E.
Deposit date:2020-07-18
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
7JG4
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BU of 7jg4 by Molmil
Human GAR transformylase in complex with GAR substrate and AGF131 inhibitor
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE, N-(5-{3-[(1S,7R,8R,9S)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-L-glutamic acid, SODIUM ION, ...
Authors:Wong-Roushar, J, Dann III, C.E.
Deposit date:2020-07-18
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.455 Å)
Cite:Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
7JG0
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BU of 7jg0 by Molmil
Human GAR transformylase in complex with GAR substrate and AGF102 inhibitor
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
Authors:Wong-Roushar, J, Dann III, C.E.
Deposit date:2020-07-18
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
1MD2
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BU of 1md2 by Molmil
CHOLERA TOXIN B-PENTAMER WITH DECAVALENT LIGAND BMSC-0013
Descriptor: 3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE, CHOLERA TOXIN B SUBUNIT, CYANIDE ION, ...
Authors:Zhang, Z, Merritt, E.A, Ahn, M, Roach, C, Hol, W.G.J, Fan, E.
Deposit date:2002-08-06
Release date:2002-12-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Solution and crystallographic studies of branched multivalent ligands that inhibit the receptor-binding of cholera toxin.
J.Am.Chem.Soc., 124, 2002
5J9F
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BU of 5j9f by Molmil
Human GAR transformylase in complex with GAR and (4-{[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzoyl)-L-glutamic acid (AGF183)
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
Authors:Wong, J, Deis, S.M, Dann III, C.E.
Deposit date:2016-04-09
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
J.Med.Chem., 59, 2016
5IZQ
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BU of 5izq by Molmil
Crystal structure of human folate receptor alpha in complex with novel antifolate AGF183
Descriptor: Folate receptor alpha, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid
Authors:Ke, J, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2016-03-25
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
J.Med.Chem., 59, 2016
3PL9
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BU of 3pl9 by Molmil
Crystal structure of spinach minor light-harvesting complex CP29 at 2.80 angstrom resolution
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Pan, X.W, Li, M, Wan, T, Wang, L.F, Jia, C.J, Hou, Z.Q, Zhao, X.L, Zhang, J.P, Chang, W.R.
Deposit date:2010-11-14
Release date:2011-02-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into energy regulation of light-harvesting complex CP29 from spinach.
Nat.Struct.Mol.Biol., 18, 2011
7YHN
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BU of 7yhn by Molmil
ANTI-TUMOR AGENT Y48 IN COMPLEX WITH TUBULIN
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Du, T, Ji, M, Hou, Z, Lin, S, Zhang, J, Wu, D, Zhang, K, Lu, D, Xu, H, Chen, X.
Deposit date:2022-07-14
Release date:2023-07-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Optimization of Benzamide Derivatives as Potent and Orally Active Tubulin Inhibitors Targeting the Colchicine Binding Site.
J.Med.Chem., 65, 2022
4ZYY
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BU of 4zyy by Molmil
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
4ZZ3
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BU of 4zz3 by Molmil
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
4ZYW
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BU of 4zyw by Molmil
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
4ZZ1
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BU of 4zz1 by Molmil
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
4ZZ0
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BU of 4zz0 by Molmil
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
4ZYX
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BU of 4zyx by Molmil
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
4ZYV
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BU of 4zyv by Molmil
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
4ZZ2
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BU of 4zz2 by Molmil
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
4ZYU
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BU of 4zyu by Molmil
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
4ZYZ
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BU of 4zyz by Molmil
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
4ZYT
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BU of 4zyt by Molmil
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
4FI9
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BU of 4fi9 by Molmil
Structure of human SUN-KASH complex
Descriptor: Nesprin-2, SUN domain-containing protein 2
Authors:Wang, W.J, Shi, Z.B.
Deposit date:2012-06-08
Release date:2012-07-18
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural insights into SUN-KASH complexes across the nuclear envelope.
Cell Res., 22, 2012
7V7L
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BU of 7v7l by Molmil
Crystal Structure of the Heterodimeric HIF-3a:ARNT Complex
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Hypoxia-inducible factor 3-alpha
Authors:Diao, X, Ren, X, Li, F.W, Sun, X, Wu, D.
Deposit date:2021-08-21
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of oleoylethanolamide as an endogenous ligand for HIF-3 alpha.
Nat Commun, 13, 2022

224572

数据于2024-09-04公开中

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