2PFM
 
 | | Crystal Structure of Adenylosuccinate Lyase (PurB) from Bacillus anthracis | | Descriptor: | Adenylosuccinate lyase, MALONATE ION | | Authors: | Levdikov, V.M, Blagova, E.V, Baumgart, M, Moroz, O.V, Wilkinson, A.J, Wilson, K.S. | | Deposit date: | 2007-04-05 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Adenylosuccinate Lyase (PurB) from Bacillus anthracis
To be Published
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2Q8L
 | | Crystal structure of orotidine 5'-phosphate decarboxylase from Plasmodium falciparum | | Descriptor: | Orotidine-monophosphate-decarboxylase, PHOSPHATE ION | | Authors: | Liu, Y, Lau, W, Lew, J, Amani, M, Hui, R, Pai, E.F, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-11 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of orotidine 5'-phosphate decarboxylase from Plasmodium falciparum.
To be Published
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2H3E
 | | Structure of wild-type E. coli Aspartate Transcarbamoylase in the presence of N-phosphonacetyl-L-isoasparagine at 2.3A resolution | | Descriptor: | (S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACID, Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, ... | | Authors: | Eldo, J, Cardia, J.P, O'Day, E.M, Xia, J, Tsuruta, H, Kantrowitz, E.R. | | Deposit date: | 2006-05-22 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | N-Phosphonacetyl-l-isoasparagine a Potent and Specific Inhibitor of Escherichia coli Aspartate Transcarbamoylase.
J.Med.Chem., 49, 2006
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2FZK
 | | The Structure of Wild-Type E. Coli Aspartate Transcarbamoylase in Complex with Novel T State Inhibitors at 2.50 Resolution | | Descriptor: | 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID, Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, ... | | Authors: | Heng, S, Stieglitz, K.A, Eldo, J, Xia, J, Cardia, J.P, Kantrowitz, E.R. | | Deposit date: | 2006-02-09 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | T-state Inhibitors of E. coli Aspartate Transcarbamoylase that Prevent the Allosteric Transition.
Biochemistry, 45, 2006
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2IPO
 | | E. coli Aspartate Transcarbamoylase complexed with N-phosphonacetyl-L-asparagine | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, ... | | Authors: | Cardia, J.P, Eldo, J, Xia, J, O'Day, E.M, Tsuruta, H, Kantrowitz, E.R. | | Deposit date: | 2006-10-12 | | Release date: | 2007-08-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Use of L-asparagine and N-phosphonacetyl-L-asparagine to investigate the linkage of catalysis and homotropic cooperativity in E. coli aspartate transcarbomoylase.
Proteins, 71, 2008
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1U22
 | | A. thaliana cobalamine independent methionine synthase | | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, ... | | Authors: | Ferrer, J.-L, Ravanel, S, Robert, M, Dumas, R. | | Deposit date: | 2004-07-16 | | Release date: | 2004-09-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate
J.Biol.Chem., 279, 2004
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1U1J
 | | A. thaliana cobalamine independent methionine synthase | | Descriptor: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, METHIONINE, ... | | Authors: | Ferrer, J.-L, Ravanel, S, Robert, M, Dumas, R. | | Deposit date: | 2004-07-15 | | Release date: | 2004-09-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate
J.Biol.Chem., 279, 2004
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1U11
 | | PurE (N5-carboxyaminoimidazole Ribonucleotide Mutase) from the acidophile Acetobacter aceti | | Descriptor: | CITRIC ACID, PurE (N5-carboxyaminoimidazole Ribonucleotide Mutase) | | Authors: | Settembre, E.C, Chittuluru, J.R, Mill, C.P, Kappock, T.J, Ealick, S.E. | | Deposit date: | 2004-07-14 | | Release date: | 2004-09-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Acidophilic adaptations in the structure of Acetobacter aceti N5-carboxyaminoimidazole ribonucleotide mutase (PurE).
Acta Crystallogr.,Sect.D, 60, 2004
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1U1U
 | | A. thaliana cobalamine independent methionine synthase | | Descriptor: | 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, SULFATE ION, ZINC ION | | Authors: | Ferrer, J.-L, Ravanel, S, Robert, M, Dumas, R. | | Deposit date: | 2004-07-16 | | Release date: | 2004-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate
J.Biol.Chem., 279, 2004
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7YXT
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7Z2L
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7K46
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7K2U
 | | DHODH IN COMPLEX WITH LIGAND 13 | | Descriptor: | 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2020-09-09 | | Release date: | 2020-10-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A carboxylic acid isostere screen of the DHODH inhibitor Brequinar.
Bioorg.Med.Chem.Lett., 30, 2020
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7Q1H
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8CHI
 | | Human FKBP12 in complex with (1S,5S,6R)-10-((S)-3,5-dichloro-N-methylphenylsulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase FKBP1A | | Authors: | Meyners, C, Purder, P.L, Hausch, F. | | Deposit date: | 2023-02-08 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues.
Jacs Au, 3, 2023
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8CHK
 | | Human FKBP12 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Peptidyl-prolyl cis-trans isomerase FKBP1A | | Authors: | Meyners, C, Purder, P.L, Hausch, F. | | Deposit date: | 2023-02-08 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues.
Jacs Au, 3, 2023
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8CHL
 | | Human FKBP12 in complex with (1S,5S,6R)-9-((3,5-dichlorophenyl)sulfonyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,9-diazabicyclo[4.2.1]nonan-2-one | | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, CADMIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Meyners, C, Purder, P.L, Hausch, F. | | Deposit date: | 2023-02-08 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues.
Jacs Au, 3, 2023
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8CHM
 | | Human FKBP12 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfinyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfinyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Meyners, C, Purder, P.L, Hausch, F. | | Deposit date: | 2023-02-08 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues.
Jacs Au, 3, 2023
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8CHJ
 | | Human FKBP12 in complex with (1S,5S,6R)-10-((R)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Meyners, C, Purder, P.L, Hausch, F. | | Deposit date: | 2023-02-08 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.697 Å) | | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues.
Jacs Au, 3, 2023
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6ET4
 | | HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NOVEL INHIBITOR | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Hakansson, M, Walse, B, Gustavsson, A.-L, Lain, S. | | Deposit date: | 2017-10-25 | | Release date: | 2018-03-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A DHODH inhibitor increases p53 synthesis and enhances tumor cell killing by p53 degradation blockage.
Nat Commun, 9, 2018
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4BJH
 | | Crystal Structure of the Aquifex Reactor Complex Formed by Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(phosphonacetyl)-L-aspartate (PALA) | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 1,2-ETHANEDIOL, ASPARTATE CARBAMOYLTRANSFERASE, ... | | Authors: | Edwards, B.F.P, Martin, P.D, Grimley, E, Vaishnav, A, Fernando, R, Brunzelle, J.S, Cordes, M, Evans, H.G, Evans, D.R. | | Deposit date: | 2013-04-18 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Mononuclear Metal Center of Type-I Dihydroorotase from Aquifex Aeolicus.
Bmc Biochem., 14, 2013
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1DV7
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4AT1
 | | STRUCTURAL CONSEQUENCES OF EFFECTOR BINDING TO THE T STATE OF ASPARTATE CARBAMOYLTRANSFERASE. CRYSTAL STRUCTURES OF THE UNLIGATED AND ATP-, AND CTP-COMPLEXED ENZYMES AT 2.6-ANGSTROMS RESOLUTION | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ASPARTATE CARBAMOYLTRANSFERASE (T STATE), CATALYTIC CHAIN, ... | | Authors: | Stevens, R.C, Gouaux, J.E, Lipscomb, W.N. | | Deposit date: | 1990-04-26 | | Release date: | 1990-10-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural consequences of effector binding to the T state of aspartate carbamoyltransferase: crystal structures of the unligated and ATP- and CTP-complexed enzymes at 2.6-A resolution.
Biochemistry, 29, 1990
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6GK0
 | | HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH CLASS III HISTONE DEACETYLASE INHIBITOR | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide, ACETIC ACID, ... | | Authors: | Hakansson, M, Ladds, M.J.G.W, Walse, B, Lain, S. | | Deposit date: | 2018-05-17 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Exploitation of dihydroorotate dehydrogenase (DHODH) and p53 activation as therapeutic targets: A case study in polypharmacology.
J.Biol.Chem., 295, 2020
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1DVJ
 | | CRYSTAL STRUCTURE OF OROTIDINE MONOPHOSPHATE DECARBOXYLASE COMPLEXED WITH 6-AZAUMP | | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE | | Authors: | Wu, N, Mo, Y, Gao, J, Pai, E.F. | | Deposit date: | 2000-03-30 | | Release date: | 2000-04-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Electrostatic stress in catalysis: structure and mechanism of the enzyme orotidine monophosphate decarboxylase.
Proc.Natl.Acad.Sci.USA, 97, 2000
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