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6CZF
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BU of 6czf by Molmil
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
8FV9
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BU of 8fv9 by Molmil
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
8FVB
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BU of 8fvb by Molmil
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
8FV6
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BU of 8fv6 by Molmil
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
8FVE
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BU of 8fve by Molmil
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
8FV8
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BU of 8fv8 by Molmil
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
2IU3
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BU of 2iu3 by Molmil
Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
Descriptor: 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM 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:2006-05-27
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase.
J. Biol. Chem., 282, 2007
2IU0
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BU of 2iu0 by Molmil
crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
Descriptor: 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION
Authors:Xu, L, Chong, Y, Hwang, I, Onofrio, A.D, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A.
Deposit date:2006-05-26
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structure-Based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase
J.Biol.Chem., 282, 2007
2O4C
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BU of 2o4c by Molmil
Crystal Structure of D-Erythronate-4-phosphate Dehydrogenase Complexed with NAD
Descriptor: Erythronate-4-phosphate dehydrogenase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Ha, J.Y, Lee, J.H, Kim, K.H, Kim, D.J, Lee, H.H, Kim, H.K, Yoon, H.J, Suh, S.W.
Deposit date:2006-12-04
Release date:2007-02-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of d-Erythronate-4-phosphate Dehydrogenase Complexed with NAD
J.Mol.Biol., 366, 2007
2NTM
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BU of 2ntm by Molmil
Crystal structure of PurO from Methanothermobacter thermoautotrophicus
Descriptor: IMP cyclohydrolase
Authors:Kang, Y.N, Tran, A, White, R.H, Ealick, S.E.
Deposit date:2006-11-07
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A novel function for the N-terminal nucleophile hydrolase fold demonstrated by the structure of an archaeal inosine monophosphate cyclohydrolase.
Biochemistry, 46, 2007
2NTK
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BU of 2ntk by Molmil
Crystal structure of PurO/IMP from Methanothermobacter thermoautotrophicus
Descriptor: IMP cyclohydrolase, INOSINIC ACID
Authors:Kang, Y.N, Tran, A, White, R.H, Ealick, S.E.
Deposit date:2006-11-07
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A novel function for the N-terminal nucleophile hydrolase fold demonstrated by the structure of an archaeal inosine monophosphate cyclohydrolase.
Biochemistry, 46, 2007
4EW1
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BU of 4ew1 by Molmil
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
4EW2
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BU of 4ew2 by Molmil
The structure of human glycinamide ribonucleotide transformylase in complex with 10S-methylthio-DDATHF.
Descriptor: N-({4-[(1S)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-L-glutamic acid, PHOSPHATE ION, SULFATE ION, ...
Authors:Connelly, S, DeMartino, K, Boger, D.L, Wilson, I.A.
Deposit date:2012-04-26
Release date:2013-07-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.602 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
4FE2
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BU of 4fe2 by Molmil
X-Ray Structure of SAICAR Synthetase (PurC) from Streptococcus pneumoniae complexed with AIR, ADP, Asp and Mg2+
Descriptor: 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wolf, N, Abad-Zapatero, C, Johnson, M.E, Fung, L.M.-W.
Deposit date:2012-05-29
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Structures of SAICAR synthetase (PurC) from Streptococcus pneumoniae with ADP, Mg(2+), AIR and Asp.
Acta Crystallogr.,Sect.D, 70, 2014
6F4L
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BU of 6f4l by Molmil
Structure of quinolinate synthase with inhibitor-derived quinolinate
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2017-11-29
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
4EW3
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BU of 4ew3 by Molmil
The structure of human glycinamide ribonucleotide transformylase in complex with 10R-methylthio-DDATHF.
Descriptor: N-({4-[(1R)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-L-glutamic acid, PHOSPHATE ION, SULFATE ION, ...
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 (1.702 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
8SBR
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BU of 8sbr by Molmil
E coli. CTP synthase in complex with CTP (sodium malonate + 20 mM MgCl2)
Descriptor: CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MALONIC ACID
Authors:Holyoak, T, McLeod, M.J, Tran, N.
Deposit date:2023-04-04
Release date:2023-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.59 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
3ORS
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BU of 3ors by Molmil
Crystal Structure of N5-Carboxyaminoimidazole Ribonucleotide Mutase from Staphylococcus aureus
Descriptor: N5-Carboxyaminoimidazole Ribonucleotide Mutase, SULFATE ION
Authors:Brugarolas, P, Duguid, E.M, Zhang, W, Poor, C.B, He, C.
Deposit date:2010-09-07
Release date:2011-07-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and biochemical characterization of N5-carboxyaminoimidazole ribonucleotide synthetase and N5-carboxyaminoimidazole ribonucleotide mutase from Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 67, 2011
3ORQ
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BU of 3orq by Molmil
Crystal Structure of N5-Carboxyaminoimidazole synthetase from Staphylococcus aureus complexed with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Brugarolas, P, Duguid, E.M, Zhang, W, Poor, C.B, He, C.
Deposit date:2010-09-07
Release date:2011-07-20
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural and biochemical characterization of N5-carboxyaminoimidazole ribonucleotide synthetase and N5-carboxyaminoimidazole ribonucleotide mutase from Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 67, 2011
4NYE
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BU of 4nye by Molmil
Structures of SAICAR Synthetase (PurC) from Streptococcus pneumoniae with ADP, Mg2+, AIR and L-Asp
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Fung, L.W.-M, Johnson, M.E, Abad-Zapatero, C, Wolf, N.M.
Deposit date:2013-12-10
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structures of SAICAR synthetase (PurC) from Streptococcus pneumoniae with ADP, Mg(2+), AIR and Asp.
Acta Crystallogr.,Sect.D, 70, 2014
6VI8
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BU of 6vi8 by Molmil
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
6VIA
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BU of 6via by Molmil
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
3O8A
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BU of 3o8a by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with novel Inhibitor Genz667348
Descriptor: Dihydroorotate dehydrogenase homolog, mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Booker, M.L, Phillips, M.A.
Deposit date:2010-08-02
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase with anti-malarial activity in the mouse model.
J.Biol.Chem., 285, 2010
3QW3
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BU of 3qw3 by Molmil
Structure of Leishmania donovani OMP decarboxylase
Descriptor: Orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative (Ompdcase-oprtase, putative), ...
Authors:French, J.B, Ealick, S.E.
Deposit date:2011-02-26
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Leishmania donovani UMP synthase is essential for promastigote viability and has an unusual tetrameric structure that exhibits substrate-controlled oligomerization.
J.Biol.Chem., 286, 2011
6VI6
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BU of 6vi6 by Molmil
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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