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8A07
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BU of 8a07 by Molmil
MTH1 in complex with TH001969
分子名称: 1~{H}-quinazoline-2,4-dione, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Scaletti, E.R, Narwal, M, Stenmark, P.
登録日2022-05-26
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献MTH1 in complex with TH001969
To Be Published
4A3Q
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BU of 4a3q by Molmil
The 2.15 Angstrom resolution crystal structure of Staphylococcus aureus alanine racemase
分子名称: ACETATE ION, ALANINE RACEMASE 1, PYRIDOXAL-5'-PHOSPHATE, ...
著者Scaletti, E.R, Luckner, S.R, Krause, K.L.
登録日2011-10-04
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Features and Kinetic Characterization of Alanine Racemase from Staphylococcus Aureus (Mu50)
Acta Crystallogr.,Sect.D, 68, 2012
7Z3Y
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BU of 7z3y by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013545
分子名称: 2-[4-(3,5-dimethylpyrazol-1-yl)-2,6-bis(fluoranyl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide, GLYCEROL, N-glycosylase/DNA lyase, ...
著者Scaletti, E.R, Stenmark, P.
登録日2022-03-02
公開日2023-03-22
最終更新日2024-02-07
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 TH013545
To Be Published
7R0D
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BU of 7r0d by Molmil
Structure of NUDT15 in complex with Geranyl monophosphate
分子名称: Geranyl phosphate, MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15
著者Scaletti, E.R, Stenmark, P.
登録日2022-02-01
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of NUDT15 in complex with Geranyl monophosphate
To Be Published
7PZ1
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BU of 7pz1 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH8535
分子名称: 1,2-ETHANEDIOL, 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide, GLYCEROL, ...
著者Scaletti, E.R, Helleday, T, Stenmark, P.
登録日2021-10-11
公開日2022-11-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1.
Chemmedchem, 18, 2023
7QEI
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BU of 7qei by Molmil
Structure of human MTHFD2L in complex with TH7299
分子名称: (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Probable bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase 2
著者Gustafsson, R, Scaletti, E.R, Stenmark, P.
登録日2021-12-03
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The First Structure of Human MTHFD2L and Its Implications for the Development of Isoform-Selective Inhibitors.
Chemmedchem, 17, 2022
7Q3C
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BU of 7q3c by Molmil
Ribonucleotide Reductase AaR2 protein from Aquifex aeolicus
分子名称: FE (III) ION, Ribonucleoside-diphosphate reductase subunit beta
著者Scaletti, E.R, 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 (2.15 Å)
主引用文献Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
6S4F
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BU of 6s4f by Molmil
Structure of human MTHFD2 in complex with TH9619
分子名称: (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ...
著者Scaletti, E.R, Gustafsson, R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P.
登録日2019-06-27
公開日2021-07-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
7AIL
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BU of 7ail by Molmil
Ribonucleotide Reductase R2m protein from Aquifex aeolicus
分子名称: FE (II) ION, Ribonucleoside-diphosphate reductase subunit beta
著者Rehling, D, Scaletti, E.R, Stenmark, P.
登録日2020-09-27
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
7AGJ
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BU of 7agj by Molmil
Ribonucleotide Reductase R1 protein from Aquifex aeolicus
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Rehling, D, Scaletti, E.R, Stenmark, P.
登録日2020-09-22
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
7AIK
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BU of 7aik by Molmil
Ribonucleotide Reductase R2 protein from Aquifex aeolicus
分子名称: FE (II) ION, Ribonucleoside-diphosphate reductase subunit beta,Ribonucleoside-diphosphate reductase subunit beta
著者Rehling, D, Scaletti, E.R, Stenmark, P.
登録日2020-09-27
公開日2021-11-03
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
8CEX
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BU of 8cex by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11227
分子名称: 6-fluoranyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION
著者Kosenina, S, Scaletti, E.R, Stenmark, P.
登録日2023-02-02
公開日2024-02-21
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 TH11227
To Be Published
8CEY
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BU of 8cey by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11233
分子名称: N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide
著者Kosenina, S, Scaletti, E.R, Stenmark, P.
登録日2023-02-02
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11233
To Be Published
7QEL
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BU of 7qel by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011247
分子名称: (2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION
著者Davies, J.R, Scaletti, E.R, Stenmark, P.
登録日2021-12-03
公開日2022-12-14
最終更新日2024-01-31
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 TH011247
To Be Published
6S4A
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BU of 6s4a by Molmil
Structure of human MTHFD2 in complex with TH9028
分子名称: (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ...
著者Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P.
登録日2019-06-27
公開日2021-07-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
6S4E
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BU of 6s4e by Molmil
Structure of human MTHFD2 in complex with TH7299
分子名称: (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ...
著者Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P.
登録日2019-06-27
公開日2021-07-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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
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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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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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
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
7P9T
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BU of 7p9t by Molmil
Crystal structure of CD73 in complex with dCMP in the open form
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 5'-nucleotidase, CALCIUM ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-27
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PB5
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BU of 7pb5 by Molmil
Crystal structure of CD73 in complex with UMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-30
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PA4
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BU of 7pa4 by Molmil
Crystal structure of CD73 in complex with CMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-28
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PBA
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BU of 7pba by Molmil
Crystal structure of CD73 in complex with IMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
著者Scaletti, E.R, Strater, N.
登録日2021-08-01
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021

 

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