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8VFN
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Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 310K
分子名称: D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VFL
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Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 290K
分子名称: D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VFK
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Crystal Structure of Delta 109-117 D-Dopachrome Tautomerase (D-DT)
分子名称: CITRATE ANION, D-dopachrome decarboxylase, SODIUM ION
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VFJ
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Polymerase Beta Host Guest Complex Containing FapydG base paired with TMP
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*(FAP)P*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*TP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8VFI
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Ternary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8VFH
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Ternary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dC
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(FAP))-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8VFG
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Binary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dC
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(FAP))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8VFF
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Binary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(FAP))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8VFE
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BU of 8vfe by Molmil
Binary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a T
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*GP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(FAP))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8VFD
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Ternary DNA Polymerase Beta bound to DNA containing template FapydG incoming TTP analog
分子名称: 1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, DNA (5'-D(*CP*CP*GP*AP*CP*(FAP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8VFC
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BU of 8vfc by Molmil
Binary DNA Polymerase Beta bound to DNA containing primer terminal T base-paired with FapydG
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*GP*(FAP)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8VFB
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BU of 8vfb by Molmil
Ternary DNA Polymerase Beta bound to DNA containing primer terminal dA base-paired with FapydG
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*CP*(FAP)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8VFA
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BU of 8vfa by Molmil
Ternary DNA Polymerase Beta bound to DNA containing primer terminal dC base-paired with FapydG
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*CP*(FAP)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8VF9
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BU of 8vf9 by Molmil
Binary DNA Polymerase Beta bound to DNA containing primer terminal dA base-paired with FapydG
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*CP*(FAP)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8VF8
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BU of 8vf8 by Molmil
Binary DNA Polymerase Beta bound to DNA containing primer terminal dC base-paired with FapydG
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*CP*(FAP)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8VF6
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BU of 8vf6 by Molmil
Crystal structure of Serine/threonine-protein kinase 33 (STK33) Kinase Domain in complex with inhibitor CDD-2211
分子名称: Serine/threonine-protein kinase 33, {3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
著者Ta, H.M, Kim, C, Ku, K.A, Matzuk, M.M.
登録日2023-12-21
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Reversible male contraception by targeted inhibition of serine/threonine kinase 33.
Science, 384, 2024
8VF3
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BU of 8vf3 by Molmil
The crystal structure of GALQE CYP199A4 bound to 4-methoxybenzoic acid
分子名称: 4-METHOXYBENZOIC ACID, ACETATE ION, CHLORIDE ION, ...
著者Podgorski, M.N, Bell, S.G.
登録日2023-12-21
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.469 Å)
主引用文献Engineering Peroxygenase Activity into Cytochrome P450 Monooxygenases through Modification of the Oxygen Binding Region
Acs Catalysis, 2024
8VF0
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BU of 8vf0 by Molmil
The crystal structure of QE CYP199A4 bound to 4-methoxybenzoic acid
分子名称: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450 enzyme (CYP199A4), ...
著者Podgorski, M.N, Bell, S.G.
登録日2023-12-21
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.028 Å)
主引用文献Engineering Peroxygenase Activity into Cytochrome P450 Monooxygenases through Modification of the Oxygen Binding Region
Acs Catalysis, 2024
8VEY
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BU of 8vey by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and TNG908
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VEX
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BU of 8vex by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 28
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, GLYCEROL, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VEW
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BU of 8vew by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 24
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VEV
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BU of 8vev by Molmil
Structure of a mouse IgG antibody antigen-binding fragment (Fab) targeting N6-methyladenosine (m6A), an RNA modification, m6A nucleoside ligand
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, N-methyladenosine, ...
著者Aoki, S.T.
登録日2023-12-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structure of a mouse IgG antibody antigen-binding fragment (Fab) targeting N6-methyladenosine (m6A), an RNA modification, m6A nucleoside ligand
To Be Published
8VEU
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BU of 8veu by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 23
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VET
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BU of 8vet by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 1
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VEQ
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BU of 8veq by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 in complex with azlocillin
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid, Probable peptidoglycan D,D-transpeptidase PenA
著者Stratton, C, Bala, S, Davies, C.
登録日2023-12-20
公開日2024-03-20
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ureidopenicillins Are Potent Inhibitors of Penicillin-Binding Protein 2 from Multidrug-Resistant Neisseria gonorrhoeae H041.
Acs Infect Dis., 10, 2024

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件を2024-06-26に公開中

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