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4ZDI
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BU of 4zdi by Molmil
Crystal structure of the M. tuberculosis CTP synthase PyrG (apo form)
分子名称: CALCIUM ION, CTP synthase
著者Bellinzoni, M, Barilone, N, Alzari, P.M.
登録日2015-04-17
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.
Chem.Biol., 22, 2015
6DSS
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BU of 6dss by Molmil
Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase
分子名称: Orotidine 5'-monophosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
著者Brandt, G.S, Novak, W.R.P.
登録日2018-06-14
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献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
6DGS
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BU of 6dgs by Molmil
Crystal Structure of Leishmania major dihydroorotate dehydrogenase mutant Y142A
分子名称: Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Reis, R.A.G, Pinheiro, M.P, Nonato, M.C.
登録日2018-05-18
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Leishmania major dihydroorotate dehydrogenase mutant Y142A
To Be Published
6DSQ
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BU of 6dsq by Molmil
Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase
分子名称: Orotidine 5'-monophosphate decarboxylase
著者Brandt, G.S, Novak, W.R.P.
登録日2018-06-14
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
6DSR
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BU of 6dsr by Molmil
Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase
分子名称: Orotidine 5'-monophosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
著者Brandt, G.S, Novak, W.R.P.
登録日2018-06-14
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.597 Å)
主引用文献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
6DWG
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BU of 6dwg by Molmil
Crystal structure of Leishmania major dihydroorotate dehydrogenase mutant Q139A
分子名称: Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Reis, R.A.G, Pinheiro, M.P, Nonato, M.C.
登録日2018-06-26
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Leishmania major dihydroorotate dehydrogenase mutant Q139A
To Be Published
4HIB
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BU of 4hib by Molmil
Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N4-OH
分子名称: CHLORIDE ION, GLYCEROL, N-hydroxycytidine 5'-(dihydrogen phosphate), ...
著者To, T.K, Kotra, L.P, Pai, E.F.
登録日2012-10-11
公開日2012-11-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist.
J.Med.Chem., 55, 2012
7K2U
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BU of 7k2u by Molmil
DHODH IN COMPLEX WITH LIGAND 13
分子名称: 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Shaffer, P.L.
登録日2020-09-09
公開日2020-10-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A carboxylic acid isostere screen of the DHODH inhibitor Brequinar.
Bioorg.Med.Chem.Lett., 30, 2020
4LUI
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BU of 4lui by Molmil
Crystal structure of Orotidine 5'-monophosphate decarboxylase from methanocaldococcus jannaschii
分子名称: CHLORIDE ION, Orotidine 5'-phosphate decarboxylase
著者Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
登録日2013-07-25
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of Orotidine 5'-monophosphate decarboxylase from methanocaldococcus jannaschii
To be Published
4LS1
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BU of 4ls1 by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A312
分子名称: 2-[(E)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Zhu, L, Li, H, Ren, X, Zhu, J.
登録日2013-07-21
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A312
To be Published
4LW7
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BU of 4lw7 by Molmil
Crystal structure of the mutant H128S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase
著者Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
登録日2013-07-26
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.423 Å)
主引用文献Crystal structure of the mutant H128S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP
To be Published
4MJZ
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BU of 4mjz by Molmil
2.75 Angstrom Resolution Crystal Structure of Putative Orotidine-monophosphate-decarboxylase from Toxoplasma gondii.
分子名称: DI(HYDROXYETHYL)ETHER, NITRATE ION, Orotidine 5'-phosphate decarboxylase, ...
著者Minasov, G, Wawrzak, Z, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-04
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献2.75 Angstrom Resolution Crystal Structure of Putative Orotidine-monophosphate-decarboxylase from Toxoplasma gondii.
TO BE PUBLISHED
4LC6
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BU of 4lc6 by Molmil
Crystal structure of the mutant H128Q of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, CHLORIDE ION, Orotidine 5'-phosphate decarboxylase, ...
著者Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
登録日2013-06-21
公開日2013-07-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Crystal structure of the mutant H128Q of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP
To be Published
6SYP
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BU of 6syp by Molmil
Human DHODH bound to inhibitor IPP/CNRS-A017
分子名称: 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
著者Kraemer, A, Janin, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-09-30
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor
Eur.J.Med.Chem., 208, 2020
4LFY
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BU of 4lfy by Molmil
Crystal structure of a dihydroorotase from Burkholderia cenocepacia J2315
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Dihydroorotase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-06-27
公開日2013-07-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a dihydroorotase from Burkholderia cenocepacia J2315
To be Published
5K9D
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BU of 5k9d by Molmil
Crystal structure of human dihydroorotate dehydrogenase at 1.7 A resolution
分子名称: 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, ...
著者Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L.
登録日2016-05-31
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.
ACS Med Chem Lett, 7, 2016
5K9C
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BU of 5k9c by Molmil
Crystal structure of human dihydroorotate dehydrogenase with ML390
分子名称: 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, ...
著者Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L.
登録日2016-05-31
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.
ACS Med Chem Lett, 7, 2016
4NX5
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BU of 4nx5 by Molmil
Crystal structure of orotidine 5'-monophosphate decarboxylase from methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate
分子名称: 1,2-ETHANEDIOL, 6-AZA URIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, ...
著者Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C.
登録日2013-12-08
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.591 Å)
主引用文献Crystal structure of orotidine 5'-monophosphate decarboxylase from methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate
To be Published
6TAJ
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BU of 6taj by Molmil
Crystal structure of Escherichia coli Orotate Phosphoribosyltransferase in complex with Orotic acid 1.60 Angstrom resolution
分子名称: GLYCEROL, OROTIC ACID, Orotate phosphoribosyltransferase
著者Navas-Yuste, S, Lopez-Estepa, M, Gomez, S, Fernandez, F.J, Vega, M.C.
登録日2019-10-29
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Elucidating the Catalytic Reaction Mechanism of Orotate Phosphoribosyltransferase by Means of X-ray Crystallography and Computational Simulations
Acs Catalysis, 10, 2020
5UE9
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BU of 5ue9 by Molmil
WT DHODB with orotate bound
分子名称: CHLORIDE ION, Dihydroorotate dehydrogenase, Dihydroorotate dehydrogenase B (NAD(+)), ...
著者Pompeu, Y.A, Stewart, J.D.
登録日2016-12-29
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Isoleucine 74 Plays a Key Role in Controlling Electron Transfer Between Lactococcus lactis Dihydroorotate Dehydrogenase 1B Subunits
to be published
6TAK
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BU of 6tak by Molmil
Crystal structure of Escherichia coli Orotate Phosphoribosyltransferase in complex with Orotic acid and Sulfate at 1.25 Angstrom resolution
分子名称: GLYCEROL, OROTIC ACID, Orotate phosphoribosyltransferase, ...
著者Navas-Yuste, S, Lopez-Estepa, M, Gomez, S, Fernandez, F.J, Vega, M.C.
登録日2019-10-29
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Elucidating the Catalytic Reaction Mechanism of Orotate Phosphoribosyltransferase by Means of X-ray Crystallography and Computational Simulations
Acs Catalysis, 10, 2020
4LS2
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BU of 4ls2 by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A313
分子名称: 2-[(E)-{2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Zhu, L, Li, H, Ren, X, Zhu, J.
登録日2013-07-21
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A313
To be Published
4NT0
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BU of 4nt0 by Molmil
Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 3-deazauridine 5'-monophosphate
分子名称: 4-hydroxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-2(1H)-one, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Fedorov, A.A, Fedorov, E.V, Iiams, V, Gerlt, J.A, Almo, S.C.
登録日2013-11-29
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.769 Å)
主引用文献Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 3-deazauridine 5'-monophosphate
To be Published
5FI8
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BU of 5fi8 by Molmil
Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bounded with DSM422 (Tetrahydro-2-naphthyl and 2-indanyl triazolopyrimidine)
分子名称: 2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Kokkonda, S, Tomchick, D, Phillips, M.
登録日2015-12-22
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity.
J.Med.Chem., 59, 2016
4LUJ
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BU of 4luj by Molmil
Crystal structure of Orotidine 5'-monophosphate decarboxylase from methanocaldococcus jannaschii complexed with inhibitor BMP
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase
著者Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
登録日2013-07-25
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of Orotidine 5'-monophosphate decarboxylase from methanocaldococcus jannaschii complexed with inhibitor BMP
To be Published

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件を2024-07-17に公開中

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