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5HQE
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Crystal structure of human dihydroorotate dehydrogenase (DHODH) with compound 18T
分子名称: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Huang, J, Wu, D, Lu, Q.
登録日2016-01-21
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18T at 1.62 A resolution
To Be Published
7ZHI
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BU of 7zhi by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor indole
分子名称: Aspartate carbamoyltransferase, INDOLE, SULFATE ION
著者Wang, C, Zhang, B.
登録日2022-04-06
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.946 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZGS
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BU of 7zgs by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2-phenylethan-1-amine
分子名称: 3-PHENYLPROPYLAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-04-04
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZP2
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BU of 7zp2 by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-04
分子名称: Aspartate carbamoyltransferase, SODIUM ION, SULFATE ION, ...
著者Wang, C, Zhang, B, Groves, M.R.
登録日2022-04-26
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZST
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Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with FLA-01
分子名称: 2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide, Aspartate carbamoyltransferase, GLYCEROL, ...
著者Wang, C, Zhang, B, Groves, M.R.
登録日2022-05-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZID
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Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-14
分子名称: Aspartate carbamoyltransferase, GLYCEROL, SULFATE ION, ...
著者Wang, C, Zhang, B.
登録日2022-04-07
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
6LKD
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BU of 6lkd by Molmil
in meso full-length rat KMO in complex with a pyrazoyl benzoic acid inhibitor
分子名称: 5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Mimasu, S, Yamagishi, H, Kiyohara, M, Kakefuda, K, Okuda, T.
登録日2019-12-19
公開日2020-12-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Full-length in meso structure and mechanism of rat kynurenine 3-monooxygenase inhibition.
Commun Biol, 4, 2021
8YHR
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BU of 8yhr by Molmil
DHODH in complex with furocoumavirin
分子名称: 4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Hara, K, Okumura, H, Nakahara, M, Sato, M, Hashimoto, H, Osada, H, Watanabe, K.
登録日2024-02-28
公開日2024-05-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Functional Analyses of Inhibition of Human Dihydroorotate Dehydrogenase by Antiviral Furocoumavirin.
Biochemistry, 63, 2024
8VHL
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BU of 8vhl by Molmil
Structure of DHODH in Complex with Ligand 17
分子名称: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Shaffer, P.L.
登録日2024-01-02
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery of Alternative Binding Poses through Fragment-Based Identification of DHODH Inhibitors.
Acs Med.Chem.Lett., 15, 2024
8VHM
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BU of 8vhm by Molmil
Structure of DHODH in Complex with Fragment 2
分子名称: ACETATE ION, CHLORIDE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Shaffer, P.L.
登録日2024-01-02
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Discovery of Alternative Binding Poses through Fragment-Based Identification of DHODH Inhibitors.
Acs Med.Chem.Lett., 15, 2024
7Z3N
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BU of 7z3n by Molmil
Cryo-EM structure of the ribosome-associated RAC complex on the 80S ribosome - RAC-1 conformation
分子名称: 18S rRNA, 26S rRNA, 40S ribosomal protein S0, ...
著者Kisonaite, M, Wild, K, Sinning, I.
登録日2022-03-02
公開日2023-04-12
最終更新日2023-05-31
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural inventory of cotranslational protein folding by the eukaryotic RAC complex.
Nat.Struct.Mol.Biol., 30, 2023
7Z3O
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BU of 7z3o by Molmil
Cryo-EM structure of the ribosome-associated RAC complex on the 80S ribosome - RAC-2 conformation
分子名称: 18S rRNA, 26S rRNA, 40S ribosomal protein S0, ...
著者Kisonaite, M, Wild, K, Sinning, I.
登録日2022-03-02
公開日2023-04-12
最終更新日2023-05-31
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural inventory of cotranslational protein folding by the eukaryotic RAC complex.
Nat.Struct.Mol.Biol., 30, 2023
2R7K
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Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with AMPPCP and AICAR
分子名称: 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, CHLORIDE ION, ...
著者Zhang, Y, White, R.H, Ealick, S.E.
登録日2007-09-09
公開日2007-12-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Biochemistry, 47, 2008
3D54
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BU of 3d54 by Molmil
Structure of PurLQS from Thermotoga maritima
分子名称: ADENOSINE-5'-DIPHOSPHATE, Formylglycinamide ribonucleotide amidotransferase, Phosphoribosylformylglycinamidine synthase 1, ...
著者Ealick, S.E, Morar, M.
登録日2008-05-15
公開日2008-07-22
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Formylglycinamide ribonucleotide amidotransferase from Thermotoga maritima: structural insights into complex formation.
Biochemistry, 47, 2008
8CHI
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BU of 8chi by Molmil
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
分子名称: (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
著者Meyners, C, Purder, P.L, Hausch, F.
登録日2023-02-08
公開日2023-09-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues.
Jacs Au, 3, 2023
8CHK
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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
分子名称: (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
著者Meyners, C, Purder, P.L, Hausch, F.
登録日2023-02-08
公開日2023-09-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues.
Jacs Au, 3, 2023
8CHL
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BU of 8chl by Molmil
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
分子名称: (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, ...
著者Meyners, C, Purder, P.L, Hausch, F.
登録日2023-02-08
公開日2023-09-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues.
Jacs Au, 3, 2023
8CHM
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BU of 8chm by Molmil
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
分子名称: (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, ...
著者Meyners, C, Purder, P.L, Hausch, F.
登録日2023-02-08
公開日2023-09-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues.
Jacs Au, 3, 2023
8CHJ
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BU of 8chj by Molmil
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
分子名称: (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, ...
著者Meyners, C, Purder, P.L, Hausch, F.
登録日2023-02-08
公開日2023-09-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues.
Jacs Au, 3, 2023
6YB9
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Human octameric PAICS in complex with SAICAR, AMP-PNP, and magnesium
分子名称: (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Skerlova, J, Unterlass, J, Gottmann, M, Homan, E, Helleday, T, Jemth, A.S, Stenmark, P.
登録日2020-03-16
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target.
J.Biol.Chem., 295, 2020
7YXT
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Crystal structure of human Indoleamine-2,3-dioxygenase 1 (hIDO1) with different conformations for G261-G265 fragment
分子名称: GLYCEROL, Indoleamine 2,3-dioxygenase 1, OXYGEN MOLECULE, ...
著者Mirgaux, M, Wouters, J.
登録日2022-02-16
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal structure of human Indoleamine-2,3-dioxygenase 1 (hIDO1) with different conformations for G261-G265 fragment
To Be Published
7Z2L
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BU of 7z2l by Molmil
Crystal structure of L-Kynurenine in the active site of human Indoleamine-2,3-dioxygenase 1 (hIDO1)
分子名称: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ...
著者Mirgaux, M, Wouters, J.
登録日2022-02-28
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Crystal structure of L-Kynurenine in the active site of human Indoleamine-2,3-dioxygenase 1 (hIDO1)
To Be Published
6YB8
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Human octameric PAICS in complex with CAIR and SAICAR
分子名称: (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 1,2-ETHANEDIOL, 5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, ...
著者Skerlova, J, Unterlass, J, Gottmann, M, Homan, E, Helleday, T, Jemth, A.S, Stenmark, P.
登録日2020-03-16
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target.
J.Biol.Chem., 295, 2020
2FW9
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Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59F from the acidophilic bacterium Acetobacter aceti, at pH 8
分子名称: N5-carboxyaminoimidazole ribonucleotide mutase, SULFATE ION
著者Starks, C.M, Kappock, T.J.
登録日2006-02-01
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Biochemical and Structural Studies of N(5)-Carboxyaminoimidazole Ribonucleotide Mutase from the Acidophilic Bacterium Acetobacter aceti.
Biochemistry, 45, 2006
2FWP
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Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59N from the acidophilic bacterium Acetobacter aceti, bound to isocair
分子名称: (4R)-5-IMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-4,5-DIHYDRO-1H-IMIDAZOLE-4-CARBOXYLIC ACID, CITRIC ACID, N5-carboxyaminoimidazole ribonucleotide mutase
著者Starks, C.M, Kappock, T.J.
登録日2006-02-02
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Biochemical and Structural Studies of N(5)-Carboxyaminoimidazole Ribonucleotide Mutase from the Acidophilic Bacterium Acetobacter aceti.
Biochemistry, 45, 2006

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件を2024-07-17に公開中

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