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PDB: 24 件
6QVG
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BU of 6qvg by Molmil
Human SHMT2 in complex with lometrexol
分子名称: 5,10-DIDEAZATETRAHYDROFOLIC ACID, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Scaletti, E, Jemth, A.S, Helleday, T, Stenmark, P.
登録日2019-03-01
公開日2019-09-04
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural basis of inhibition of the human serine hydroxymethyltransferase SHMT2 by antifolate drugs.
Febs Lett., 593, 2019
6QVL
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BU of 6qvl by Molmil
Human SHMT2 in complex with pemetrexed
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Scaletti, E, Jemth, A.S, Helleday, T, Stenmark, P.
登録日2019-03-03
公開日2019-09-04
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural basis of inhibition of the human serine hydroxymethyltransferase SHMT2 by antifolate drugs.
Febs Lett., 593, 2019
6YE1
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BU of 6ye1 by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A894 (compound 2n in publication) in the closed form (crystal form IV)
分子名称: 5'-nucleotidase, ZINC ION, [(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid
著者Scaletti, E, Strater, N.
登録日2020-03-23
公開日2021-01-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
6YE2
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BU of 6ye2 by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A1202 (compound 4a in publication) in the closed form (crystal form IV)
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Scaletti, E, Strater, N.
登録日2020-03-23
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
6QVO
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BU of 6qvo by Molmil
Crystal structure of human MTH1 in complex with N6-methyl-dAMP
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE, ...
著者Scaletti, E, Vallin, K.S, Brautigam, L, Sarno, A, Warpman Berglund, U, Helleday, T, Stenmark, P, Jemth, A.S.
登録日2019-03-04
公開日2020-03-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献MutT homologue 1 (MTH1) removes N6-methyl-dATP from the dNTP pool.
J.Biol.Chem., 295, 2020
8B5Q
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BU of 8b5q by Molmil
Crystal Structure of P. aeruginosa WaaG in complex with UMP
分子名称: UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG, URIDINE-5'-MONOPHOSPHATE
著者Scaletti, E, Gustafsson Westergren, R, Stenmark, P.
登録日2022-09-24
公開日2023-10-04
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis.
J.Biol.Chem., 299, 2023
8B62
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BU of 8b62 by Molmil
Crystal Structure of P. aeruginosa WaaG in complex with UDP-galactose
分子名称: GALACTOSE-URIDINE-5'-DIPHOSPHATE, GLYCEROL, UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG
著者Scaletti, E, Gustafsson Westergren, R, Stenmark, P.
登録日2022-09-25
公開日2023-10-04
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis.
J.Biol.Chem., 299, 2023
8B63
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BU of 8b63 by Molmil
Crystal Structure of P. aeruginosa WaaG in complex with UDP-GalNAc
分子名称: ACETATE ION, UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG, URIDINE-5'-DIPHOSPHATE, ...
著者Scaletti, E, Gustafsson Westergren, R, Stenmark, P.
登録日2022-09-25
公開日2023-10-04
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis.
J.Biol.Chem., 299, 2023
8B5S
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BU of 8b5s by Molmil
Crystal Structure of P. aeruginosa WaaG in complex with UDP-glucose
分子名称: UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Scaletti, E, Gustafsson Westergren, R, Stenmark, P.
登録日2022-09-24
公開日2023-10-04
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis.
J.Biol.Chem., 299, 2023
8BVX
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BU of 8bvx by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH13264
分子名称: 1,2-ETHANEDIOL, N-glycosylase/DNA lyase, NICKEL (II) ION, ...
著者Scaletti, E, Stenmark, P.
登録日2022-12-05
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH13264
To Be Published
8BQ7
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BU of 8bq7 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH2829
分子名称: GLYCEROL, N-glycosylase/DNA lyase, NICKEL (II) ION, ...
著者Scaletti, E, Stenmark, P.
登録日2022-11-19
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH2829
To Be Published
6TVE
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BU of 6tve by Molmil
Unliganded human CD73 (5'-nucleotidase) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Scaletti, E, Strater, N.
登録日2020-01-09
公開日2020-02-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
6TVG
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BU of 6tvg by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with AMPCP in the open state
分子名称: 5'-nucleotidase, ecto (CD73), isoform CRA_a, ...
著者Scaletti, E, Strater, N.
登録日2020-01-09
公開日2020-02-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
7Z5B
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BU of 7z5b by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013546
分子名称: 2-[4-(2,4-dimethyl-1~{H}-imidazol-5-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide, N-glycosylase/DNA lyase, NICKEL (II) ION
著者Scaletti, E, Stenmark, P.
登録日2022-03-08
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013546
To Be Published
8A0T
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BU of 8a0t by Molmil
MTH1 in complex with TH012532
分子名称: 5-(phenylmethyl)pyrimidine-2,4-diol, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
著者Scaletti, E, Stenmark, P.
登録日2022-05-30
公開日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献MTH1 in complex with TH012532
To Be Published
7Q39
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BU of 7q39 by Molmil
Ribonucleotide Reductase R2_genomic protein from Aquifex aeolicus
分子名称: FE (III) ION, Ribonucleoside-diphosphate reductase subunit beta
著者Scaletti, E, Rehling, D, Stenmark, P.
登録日2021-10-27
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
6Z9B
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BU of 6z9b by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative A830 (compound 16 in publication) in the closed form (crystal form III)
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Strater, N, Scaletti, E.
登録日2020-06-03
公開日2020-07-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 63, 2020
8B8I
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BU of 8b8i by Molmil
Nanobody (NbLumSyt1) bound to human Syt1
分子名称: Nanobody (NbLumSyt1), Synaptotagmin-1
著者Liu, H, Scaletti, E, Stenmark, P.
登録日2022-10-04
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Nanobody (NbLumSyt1) bound to human Syt1
To Be Published
7Z5R
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BU of 7z5r by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035
分子名称: (7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION
著者Davies, J.R, Scaletti, E, Stenmark, P.
登録日2022-03-09
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035
To Be Published
7ZC7
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BU of 7zc7 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012941
分子名称: 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide, N-glycosylase/DNA lyase, NICKEL (II) ION
著者Davies, J.R, Scaletti, E, Stenmark, P.
登録日2022-03-25
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012941
To Be Published
7ZG3
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BU of 7zg3 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011228
分子名称: N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
著者Davies, J.R, Scaletti, E, Stenmark, P.
登録日2022-04-01
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011228
To Be Published
8A0S
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MTH1 in complex with TH013350
分子名称: 4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Liu, H, Scaletti, E, Stenmark, P.
登録日2022-05-30
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献MTH1 in complex with TH013350
To Be Published
8A3A
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BU of 8a3a by Molmil
MTH1 in complex with TH013074
分子名称: 4-(4-methylphenyl)-1~{H}-quinazolin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Liu, H, Scaletti, E, Stenmark, P.
登録日2022-06-07
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献MTH1 in complex with TH013074
To Be Published
8A34
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MTH1 in complex with TH013071
分子名称: 5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
著者Liu, H, Scaletti, E, Stenmark, P.
登録日2022-06-07
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献MTH1 in complex with TH013071
To Be Published

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件を2024-11-06に公開中

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