6I0K
 
 | | Structure of quinolinate synthase in complex with 4-mercaptophthalic acid | | Descriptor: | 4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | | Deposit date: | 2018-10-26 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination.
Chem.Commun.(Camb.), 55, 2019
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6I0P
 | | Structure of quinolinate synthase in complex with 6-mercaptopyridine-2,3-dicarboxylic acid | | Descriptor: | 6-mercaptopyridine-2,3-dicarboxylic acid, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | | Deposit date: | 2018-10-26 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination.
Chem.Commun.(Camb.), 55, 2019
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6OFB
 | | Crystal structure of human glutamine-dependent NAD+ synthetase complexed with NaAD+, AMP, pyrophosphate, and Mg2+ | | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Glutamine-dependent NAD(+) synthetase, ... | | Authors: | Chuenchor, W, Doukov, T.I, Gerratana, B. | | Deposit date: | 2019-03-28 | | Release date: | 2020-01-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Different ways to transport ammonia in human and Mycobacterium tuberculosis NAD+synthetases.
Nat Commun, 11, 2020
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8FV9
 | | E coli. CTP synthase in complex with F-dCTP | | Descriptor: | 2'-deoxy-2'-fluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MALONIC ACID | | Authors: | Holyoak, T, McLeod, M.J, Tran, N. | | Deposit date: | 2023-01-18 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.991 Å) | | Cite: | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
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8FVB
 | | E coli. CTP synthase in complex with CTP | | Descriptor: | CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MALONIC ACID | | Authors: | Holyoak, T, McLeod, M.J, Tran, N. | | Deposit date: | 2023-01-18 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
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8FVE
 | | E coli. CTP synthase in complex with CTP (potassium malonate + 100 mM MgCl2) | | Descriptor: | CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Holyoak, T, McLeod, M.J, Tran, N. | | Deposit date: | 2023-01-18 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
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8FV6
 | | E coli. CTP synthase in complex with dF-dCTP | | Descriptor: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MALONIC ACID, ... | | Authors: | Holyoak, T, McLeod, M.J, Tran, N. | | Deposit date: | 2023-01-18 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
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8FV8
 | | E coli. CTP synthase in complex with dF-dCTP + ADP | | Descriptor: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), ADENOSINE-5'-DIPHOSPHATE, CTP synthase, ... | | Authors: | Holyoak, T, McLeod, M.J, Tran, N. | | Deposit date: | 2023-01-18 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
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8FVC
 | | E coli. CTP synthase in complex with dF-dCTP (potassium malonate + 5 mM MgCl2) | | Descriptor: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MALONIC ACID | | Authors: | Holyoak, T, McLeod, M.J, Tran, N. | | Deposit date: | 2023-01-18 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.281 Å) | | Cite: | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
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8FVD
 | | E coli. CTP synthase in complex with dF-dCTP (potassium malonate + 100 mM MgCl2) | | Descriptor: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MAGNESIUM ION, ... | | Authors: | Holyoak, T, McLeod, M.J, Tran, N. | | Deposit date: | 2023-01-18 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
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8FVA
 | | E coli. CTP synthase in complex with F-araCTP | | Descriptor: | 4-amino-1-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, CTP synthase, MALONIC ACID, ... | | Authors: | Holyoak, T, McLeod, M.J, Tran, N. | | Deposit date: | 2023-01-18 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
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8FV7
 | | E coli. CTP synthase in complex with dF-dCTP + ATP | | Descriptor: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, ... | | Authors: | Holyoak, T, McLeod, M.J, Tran, N. | | Deposit date: | 2023-01-18 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
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8I9O
 | | ecCTPS filament bound with CTP, NADH, DON | | Descriptor: | 5-OXO-L-NORLEUCINE, ADENINE, CTP synthase, ... | | Authors: | Guo, C.J, Liu, J.L. | | Deposit date: | 2023-02-07 | | Release date: | 2024-02-14 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Filamentation and inhibition of prokaryotic CTP synthase with ligands.
Mlife, 3, 2024
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8ABX
 | | Crystal structure of IDO1 in complex with Apoxidole-1 | | Descriptor: | Indoleamine 2,3-dioxygenase 1, O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate, O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate, ... | | Authors: | Dotsch, L, Ziegler, S, Waldmann, H, Gasper, R. | | Deposit date: | 2022-07-05 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Identification of a Novel Pseudo-Natural Product Type IV IDO1 Inhibitor Chemotype.
Angew.Chem.Int.Ed.Engl., 61, 2022
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6VI8
 | | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a superoxo bound structure | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ... | | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | | Deposit date: | 2020-01-12 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6VIA
 | | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a seven-membered lactone bound structure | | Descriptor: | (2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, ... | | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | | Deposit date: | 2020-01-12 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6VI6
 | | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a substrate monodentately bound structure | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ... | | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | | Deposit date: | 2020-01-12 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6VI7
 | | Probing extradiol dioxygenase mechanism in NAD(+) biosynthesis by viewing reaction cycle intermediates - a substrate bidentately bound structure | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ... | | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | | Deposit date: | 2020-01-12 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.617 Å) | | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6VIB
 | | Observing a ring-cleaving dioxygenase in action through a crystalline lens - enol tautomers of ACMS bidentately bound structure | | Descriptor: | (2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, ... | | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | | Deposit date: | 2020-01-12 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6X11
 | | Observing a ring-cleaving dioxygenase in action through a crystalline lens - an enol tautomer of ACMS monodentately bound structure | | Descriptor: | (2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, ... | | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | | Deposit date: | 2020-05-17 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6CZF
 | | The structure of E. coli PurF in complex with ppGpp-Mg | | Descriptor: | Amidophosphoribosyltransferase, GUANOSINE-5',3'-TETRAPHOSPHATE, MAGNESIUM ION | | Authors: | Wang, B, Grant, R.A, Laub, M.T. | | Deposit date: | 2018-04-09 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Affinity-based capture and identification of protein effectors of the growth regulator ppGpp.
Nat. Chem. Biol., 15, 2019
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6VI5
 | | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a resting state structure | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, CHLORIDE ION, ... | | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | | Deposit date: | 2020-01-12 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.604 Å) | | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6VI9
 | | Observing a ring-cleaving dioxygenase in action through a crystalline lens - an alkylperoxo bound structure | | Descriptor: | (5R,6Z)-5-(hydroperoxy-kappaO)-5-(hydroxy-kappaO)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, ... | | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | | Deposit date: | 2020-01-12 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1THZ
 | | Crystal Structure of Avian AICAR Transformylase in Complex with a Novel Inhibitor Identified by Virtual Ligand Screening | | Descriptor: | 2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID, Bifunctional purine biosynthesis protein PURH, POTASSIUM ION | | Authors: | Xu, L, Li, C, Olson, A.J, Wilson, I.A. | | Deposit date: | 2004-06-01 | | Release date: | 2004-09-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of avian aminoimidazole-4-carboxamide ribonucleotide transformylase in complex with a novel non-folate inhibitor identified by virtual ligand screening.
J.Biol.Chem., 279, 2004
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4EW1
 | | High resolution structure of human glycinamide ribonucleotide transformylase in apo form. | | Descriptor: | PHOSPHATE ION, SULFATE ION, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Connelly, S, DeMartino, K, Boger, D.L, Wilson, I.A. | | Deposit date: | 2012-04-26 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.522 Å) | | Cite: | Biological and Structural Evaluation of 10R- and 10S-Methylthio-DDACTHF Reveals a New Role for Sulfur in Inhibition of Glycinamide Ribonucleotide Transformylase.
Biochemistry, 52, 2013
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