5V4L
 
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8EK7
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5K9C
 | | Crystal structure of human dihydroorotate dehydrogenase with ML390 | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L. | | Deposit date: | 2016-05-31 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.
ACS Med Chem Lett, 7, 2016
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8K4F
 | | DHODH in complex with compound A0 | | Descriptor: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | | Authors: | Jian, L, Sun, Q. | | Deposit date: | 2023-07-18 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease.
J.Med.Chem., 66, 2023
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8ERA
 | | RMC-5552 in complex with mTORC1 and FKBP12 | | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | Authors: | Tomlinson, A.C.A, Yano, J.K. | | Deposit date: | 2022-10-11 | | Release date: | 2022-12-28 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
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5VMQ
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6VND
 | | Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636 | | Descriptor: | 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Padyana, A, Jin, L. | | Deposit date: | 2020-01-29 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Selective Vulnerability to Pyrimidine Starvation in Hematologic Malignancies Revealed by AG-636, a Novel Clinical-Stage Inhibitor of Dihydroorotate Dehydrogenase.
Mol.Cancer Ther., 19, 2020
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5K9D
 | | Crystal structure of human dihydroorotate dehydrogenase at 1.7 A resolution | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L. | | Deposit date: | 2016-05-31 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.
ACS Med Chem Lett, 7, 2016
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6DSS
 | | Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase | | Descriptor: | Orotidine 5'-monophosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | Authors: | Brandt, G.S, Novak, W.R.P. | | Deposit date: | 2018-06-14 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.599 Å) | | Cite: | Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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8DHH
 | | DHODH IN COMPLEX WITH LIGAND 29 | | Descriptor: | (6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2022-06-27 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia.
J.Med.Chem., 65, 2022
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6DGS
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8DHG
 | | DHODH IN COMPLEX WITH LIGAND 19 | | Descriptor: | (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2022-06-27 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia.
J.Med.Chem., 65, 2022
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8DHF
 | | DHODH IN COMPLEX WITH LIGAND 11 | | Descriptor: | (6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2022-06-27 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia.
J.Med.Chem., 65, 2022
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6DSQ
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6DSR
 | | Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase | | Descriptor: | Orotidine 5'-monophosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | Authors: | Brandt, G.S, Novak, W.R.P. | | Deposit date: | 2018-06-14 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.597 Å) | | Cite: | Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6DWG
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6CJF
 | | Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 | | Descriptor: | 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2018-02-26 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
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6PNZ
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1R0C
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1R0B
 | | Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R State Bound to PALA, or to Product Analogues Phosphate and Citrate | | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CITRATE ANION, ... | | Authors: | Huang, J, Lipscomb, W.N. | | Deposit date: | 2003-09-19 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R-State Bound to PALA, or to Product Analogues Citrate and Phosphate
Biochemistry, 43, 2004
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7T24
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7T29
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5OWI
 | | The dynamic dimer structure of the chaperone Trigger Factor (conformer 1) | | Descriptor: | Trigger factor | | Authors: | Morgado, L, Burmann, B.M, Sharpe, T, Mazur, A, Hiller, S. | | Deposit date: | 2017-09-01 | | Release date: | 2017-11-29 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The dynamic dimer structure of the chaperone Trigger Factor.
Nat Commun, 8, 2017
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7T6C
 | | E. coli dihydroorotate dehydrogenase bound to the ubiquinone surrogate DCIP | | Descriptor: | 2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | | Deposit date: | 2021-12-13 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
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7T5K
 | | E. coli dihydroorotate dehydrogenase bound to the inhibitor HQNO | | Descriptor: | 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ... | | Authors: | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | | Deposit date: | 2021-12-12 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
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