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7LVP
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BU of 7lvp by Molmil
Cryptococcus neoformans AIR synthetase
Descriptor: 1,2-ETHANEDIOL, AIR synthase, GLYCINE, ...
Authors:Chua, S.M.H, Luo, Z, Lim, B.Y.J, Kobe, B, Fraser, J.A.
Deposit date:2021-02-26
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural features of Cryptococcus neoformans bifunctional GAR/AIR synthetase may present novel antifungal drug targets.
J.Biol.Chem., 297, 2021
7LVO
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BU of 7lvo by Molmil
Cryptococcus neoformans GAR synthetase
Descriptor: 1,2-ETHANEDIOL, phosphoribosyl-glycinamide (GAR) synthetase
Authors:Chua, S.M.H, Luo, Z, Lim, B.Y.J, Kobe, B, Fraser, J.A.
Deposit date:2021-02-26
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural features of Cryptococcus neoformans bifunctional GAR/AIR synthetase may present novel antifungal drug targets.
J.Biol.Chem., 297, 2021
6CTY
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BU of 6cty by Molmil
Crystal structure of dihydroorotase pyrC from Yersinia pestis in complex with zinc and malate at 2.4 A resolution
Descriptor: D-MALATE, Dihydroorotase, ZINC ION
Authors:Lipowska, J, Shabalin, I.G, Winsor, J, Woinska, M, Cooper, D.R, Kwon, K, Shuvalova, L, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-03-23
Release date:2018-04-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Pyrimidine biosynthesis in pathogens - Structures and analysis of dihydroorotases from Yersinia pestis and Vibrio cholerae.
Int.J.Biol.Macromol., 136, 2019
7UOF
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BU of 7uof by Molmil
Dihydroorotase from M. jannaschii
Descriptor: Dihydroorotase, ZINC ION
Authors:Vitali, J, Nix, J.C, Newman, H.E, Colaneri, M.J.
Deposit date:2022-04-12
Release date:2022-08-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Methanococcus jannaschii dihydroorotase.
Proteins, 91, 2023
7UT5
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BU of 7ut5 by Molmil
Acinetobacter baumannii dihydroorotate dehydrogenase bound with inhibitor DSM186
Descriptor: (4R)-7-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Phillips, M, Tomchick, D.
Deposit date:2022-04-26
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Repurposed dihydroorotate dehydrogenase inhibitors with efficacy against drug-resistant Acinetobacter baumannii.
Proc.Natl.Acad.Sci.USA, 119, 2022
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)
Descriptor: 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, ...
Authors:Deng, X, Kokkonda, S, Tomchick, D, Phillips, M.
Deposit date:2015-12-22
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity.
J.Med.Chem., 59, 2016
7UDW
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BU of 7udw by Molmil
Designed pentameric proton channel QQLL
Descriptor: De novo designed pentameric proton channel QQLL
Authors:Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J, Liu, L, DeGrado, W.F.
Deposit date:2022-03-20
Release date:2022-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDV
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BU of 7udv by Molmil
Designed pentameric proton channel LLQL
Descriptor: De novo designed proton channel LLQL
Authors:Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2022-03-20
Release date:2022-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
4ZDJ
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BU of 4zdj by Molmil
Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with two UTP molecules
Descriptor: CTP synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Bellinzoni, M, Barilone, N, Alzari, P.M.
Deposit date:2015-04-17
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.
Chem.Biol., 22, 2015
4ZDI
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BU of 4zdi by Molmil
Crystal structure of the M. tuberculosis CTP synthase PyrG (apo form)
Descriptor: CALCIUM ION, CTP synthase
Authors:Bellinzoni, M, Barilone, N, Alzari, P.M.
Deposit date:2015-04-17
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.
Chem.Biol., 22, 2015
4ZDK
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BU of 4zdk by Molmil
Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with UTP, AMP-PCP and oxonorleucine
Descriptor: 5-OXO-L-NORLEUCINE, CTP synthase, MAGNESIUM ION, ...
Authors:Bellinzoni, M, Barilone, N, Alzari, P.M.
Deposit date:2015-04-17
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.
Chem.Biol., 22, 2015
4FYM
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BU of 4fym by Molmil
Crystal structure of Plasmodium falciparum orotate phosphoribosyltransferase
Descriptor: Orotate phosphoribosyltransferase, SULFATE ION
Authors:Rathod, P.K, Kumar, S.
Deposit date:2012-07-05
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Plasmodium falciparum orotate phosphoribosyltransferase with autologous inhibitory protein-protein interactions.
Acta Crystallogr F Struct Biol Commun, 71, 2015
6QU7
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BU of 6qu7 by Molmil
Crystal structure of human DHODH in complex with BAY 2402234
Descriptor: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Friberg, A, Gradl, S.
Deposit date:2019-02-26
Release date:2019-06-05
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies.
Leukemia, 33, 2019
4FX8
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BU of 4fx8 by Molmil
Crystal structure of the mutant Q185A.R203A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase, SULFATE ION
Authors:Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
Deposit date:2012-07-02
Release date:2013-06-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9411 Å)
Cite:Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
4FX6
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BU of 4fx6 by Molmil
Crystal structure of the mutant V182A.R203A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
Deposit date:2012-07-02
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.531 Å)
Cite:Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
4GC4
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BU of 4gc4 by Molmil
Crystal structure of the mutant R160A.R203A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
Deposit date:2012-07-29
Release date:2013-06-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4204 Å)
Cite:Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
4FXR
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BU of 4fxr by Molmil
Crystal structure of the mutant T159V.R203A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
Deposit date:2012-07-03
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.708 Å)
Cite:Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
6G74
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BU of 6g74 by Molmil
Structure of the Y21F variant of quinolinate synthase in complex with phthalate
Descriptor: IRON/SULFUR CLUSTER, PHTHALIC ACID, Quinolinate synthase A
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2018-04-04
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
7P4M
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BU of 7p4m by Molmil
Structure of the quinolinate synthase Y107F variant in an empty open form
Descriptor: CHLORIDE ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A.
Deposit date:2021-07-12
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
7P4Q
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BU of 7p4q by Molmil
Structure of the quinolinate synthase S124A variant complexed with citrate
Descriptor: CHLORIDE ION, CITRATE ANION, FE3-S4 CLUSTER, ...
Authors:Volbeda, A.
Deposit date:2021-07-12
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
7P4P
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BU of 7p4p by Molmil
Structure of the quinolinate synthase A84L variant complexed with citrate
Descriptor: CHLORIDE ION, CITRATE ANION, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A.
Deposit date:2021-07-12
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
3OIX
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BU of 3oix by Molmil
Crystal structure of the putative dihydroorotate dehydrogenase from Streptococcus mutans
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, Putative dihydroorotate dehydrogenase; dihydroorotate oxidase
Authors:Liu, Y, Gao, Z.Q, Liu, C.P, Dong, Y.H.
Deposit date:2010-08-20
Release date:2010-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Structure of the putative dihydroorotate dehydrogenase from Streptococcus mutans
Acta Crystallogr.,Sect.F, 67, 2011
3P61
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BU of 3p61 by Molmil
Crystal structure of the mutant R160A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-monophosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2010-10-11
Release date:2011-09-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.396 Å)
Cite:Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
3P5Z
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BU of 3p5z by Molmil
Crystal structure of the mutant T159S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, N-PROPANOL, ...
Authors:Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2010-10-11
Release date:2011-09-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
5LQM
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BU of 5lqm by Molmil
Structure of quinolinate synthase Y21F mutant in complex with citrate
Descriptor: CITRATE ANION, IRON/SULFUR CLUSTER, Quinolinate synthase A
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2016-08-17
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal Structures of Quinolinate Synthase in Complex with a Substrate Analogue, the Condensation Intermediate, and Substrate-Derived Product.
J.Am.Chem.Soc., 138, 2016

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