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4L7T
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BU of 4l7t by Molmil
B. fragilis NanU
分子名称: 1,2-ETHANEDIOL, ACETATE ION, NanU sialic acid binding protein, ...
著者Rafferty, J.B, Phansopa, C, Stafford, G.P.
登録日2013-06-14
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structural and functional characterization of NanU, a novel high-affinity sialic acid-inducible binding protein of oral and gut-dwelling Bacteroidetes species.
Biochem.J., 458, 2014
8QVH
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BU of 8qvh by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
分子名称: 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Bifunctional epoxide hydrolase 2
著者Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
登録日2023-10-18
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Exploring serial crystallography for drug discovery.
Iucrj, 2024
8QVF
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BU of 8qvf by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
分子名称: 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea, Bifunctional epoxide hydrolase 2
著者Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
登録日2023-10-18
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Exploring serial crystallography for drug discovery.
Iucrj, 2024
8QWG
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BU of 8qwg by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
分子名称: Bifunctional epoxide hydrolase 2, TRIETHYLENE GLYCOL
著者Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
登録日2023-10-19
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exploring serial crystallography for drug discovery.
Iucrj, 2024
8QVL
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BU of 8qvl by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
分子名称: 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL, Bifunctional epoxide hydrolase 2, DIMETHYL SULFOXIDE, ...
著者Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
登録日2023-10-18
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Exploring serial crystallography for drug discovery.
Iucrj, 2024
8QVG
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BU of 8qvg by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
分子名称: Bifunctional epoxide hydrolase 2, N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE
著者Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
登録日2023-10-18
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exploring serial crystallography for drug discovery.
Iucrj, 2024
8QVK
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BU of 8qvk by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
分子名称: Bifunctional epoxide hydrolase 2, N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide
著者Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
登録日2023-10-18
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Exploring serial crystallography for drug discovery.
Iucrj, 2024
8QVM
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BU of 8qvm by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
分子名称: Bifunctional epoxide hydrolase 2, TRIETHYLENE GLYCOL
著者Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
登録日2023-10-18
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploring serial crystallography for drug discovery.
Iucrj, 2024
8QWI
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BU of 8qwi by Molmil
Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.
分子名称: 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL, Bifunctional epoxide hydrolase 2, SULFATE ION
著者Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
登録日2023-10-19
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Exploring serial crystallography for drug discovery.
Iucrj, 2024
3RGC
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BU of 3rgc by Molmil
The virulence factor PEB4 and the periplasmic protein Cj1289 are two structurally related SurA-like chaperones in the human pathogen Campylobacter jejuni
分子名称: Possible periplasmic protein
著者Kale, A, Phansopa, C, Suwannachart, C, Craven, C.J, Rafferty, J, Kelly, D.J.
登録日2011-04-08
公開日2011-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The virulence factor PEB4 and the periplasmic protein Cj1289 are two structurally related SurA-like chaperones in the human pathogen Campylobacter jejuni
To be Published
3RFW
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BU of 3rfw by Molmil
The virulence factor PEB4 and the periplasmic protein Cj1289 are two structurally-related SurA-like chaperones in the human pathogen Campylobacter jejuni
分子名称: Cell-binding factor 2
著者Kale, A, Phansopa, C, Suwannachart, C, Craven, C.J, Rafferty, J, Kelly, D.J.
登録日2011-04-07
公開日2011-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The virulence factor PEB4 and the periplasmic protein Cj1289 are two structurally-related SurA-like chaperones in the human pathogen Campylobacter jejuni
To be Published
4DDR
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BU of 4ddr by Molmil
Human dihydrofolate reductase complexed with NADPH and P218
分子名称: 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Yuthavong, Y, Tarnchompoo, B, Vilaivan, T, Chitnumsub, P, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Thongphanchang, C, Taweechai, S, Vanichtanankul, J, Rattanajak, R, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D.
登録日2012-01-19
公開日2012-11-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
4DP3
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BU of 4dp3 by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P218 and NADPH
分子名称: 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D.
登録日2012-02-13
公開日2012-11-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
4DPH
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BU of 4dph by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P65 and NADPH
分子名称: 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine, BETA-MERCAPTOETHANOL, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D.
登録日2012-02-13
公開日2012-11-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
4DPD
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BU of 4dpd by Molmil
WILD TYPE PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PfDHFR-TS), DHF COMPLEX, NADP+, dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, DIHYDROFOLIC ACID, ...
著者Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D.
登録日2012-02-13
公開日2012-11-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
8A7I
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BU of 8a7i by Molmil
Crystal structure of BRD9 bromodomain in complex with compound EA-89
分子名称: Bromodomain-containing protein 9, ~{N}-[1,1-bis(oxidanylidene)thian-4-yl]-7-[3-methyl-1-(piperidin-4-ylmethyl)indol-5-yl]-4-oxidanylidene-5-propyl-thieno[3,2-c]pyridine-2-carboxamide
著者Faller, M, Zink, F.
登録日2022-06-21
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献BRD9 degraders as chemosensitizers in acute leukemia and multiple myeloma.
Blood Cancer J, 12, 2022
7UCC
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BU of 7ucc by Molmil
Transcription factor FosB/JunD bZIP domain in the reduced form
分子名称: CHLORIDE ION, ETHANOL, Protein fosB, ...
著者Kumar, A, Machius, M.C, Rudenko, G.
登録日2022-03-16
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Chemically targeting the redox switch in AP1 transcription factor Delta FOSB.
Nucleic Acids Res., 50, 2022
7UCD
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BU of 7ucd by Molmil
Transcription factor FosB/JunD bZIP domain covalently modified with the cysteine-targeting alpha-haloketone compound Z2159931480
分子名称: 7-acetyl-4-methoxy-1-benzofuran-3(2H)-one, CHLORIDE ION, Protein fosB, ...
著者Kumar, A, Machius, M.C, Rudenko, G.
登録日2022-03-16
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Chemically targeting the redox switch in AP1 transcription factor Delta FOSB.
Nucleic Acids Res., 50, 2022

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件を2024-09-04に公開中

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