6I0K
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![BU of 6i0k by Molmil](/molmil-images/mine/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
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![BU of 6i0p by Molmil](/molmil-images/mine/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
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![BU of 6ofb by Molmil](/molmil-images/mine/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
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![BU of 8fv9 by Molmil](/molmil-images/mine/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
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![BU of 8fvb by Molmil](/molmil-images/mine/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
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![BU of 8fve by Molmil](/molmil-images/mine/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
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![BU of 8fv6 by Molmil](/molmil-images/mine/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
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![BU of 8fv8 by Molmil](/molmil-images/mine/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
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![BU of 8fvc by Molmil](/molmil-images/mine/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
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![BU of 8fvd by Molmil](/molmil-images/mine/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
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![BU of 8fva by Molmil](/molmil-images/mine/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
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![BU of 8fv7 by Molmil](/molmil-images/mine/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
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![BU of 8i9o by Molmil](/molmil-images/mine/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
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![BU of 8abx by Molmil](/molmil-images/mine/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
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![BU of 6vi8 by Molmil](/molmil-images/mine/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
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![BU of 6via by Molmil](/molmil-images/mine/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
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![BU of 6vi6 by Molmil](/molmil-images/mine/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
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![BU of 6vi7 by Molmil](/molmil-images/mine/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
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![BU of 6vib by Molmil](/molmil-images/mine/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
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![BU of 6x11 by Molmil](/molmil-images/mine/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
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![BU of 6czf by Molmil](/molmil-images/mine/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
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![BU of 6vi5 by Molmil](/molmil-images/mine/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
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![BU of 6vi9 by Molmil](/molmil-images/mine/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
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![BU of 1thz by Molmil](/molmil-images/mine/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
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![BU of 4ew1 by Molmil](/molmil-images/mine/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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