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6NMP
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BU of 6nmp by Molmil
SFX structure of oxidized cytochrome c oxidase at room temperature
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Rousseau, D.L, Yeh, S.-R, Ishigami, I.
登録日2019-01-11
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5HZB
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BU of 5hzb by Molmil
Crystal structure of GII.10 P domain in complex with 2-fucosyllactose (2'FL)
分子名称: 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Hansman, G.S, Koromyslova, A.D, Singh, B.K.S.
登録日2016-02-02
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献Structural Basis for Norovirus Inhibition by Human Milk Oligosaccharides.
J.Virol., 90, 2016
5HZA
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BU of 5hza by Molmil
Crystal structure of GII.10 P domain in complex with 3-fucosyllactose (3 FL)
分子名称: 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]beta-D-glucopyranose
著者Hansman, G.S, Koromyslova, A.D, Singh, B.K.
登録日2016-02-02
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural Basis for Norovirus Inhibition by Human Milk Oligosaccharides.
J.Virol., 90, 2016
5T37
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BU of 5t37 by Molmil
crystal structure of mPGES-1 bound to inhibitor
分子名称: 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-N-(1H-imidazol-2-yl)benzamide, GLUTATHIONE, Prostaglandin E synthase, ...
著者Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M.
登録日2016-08-24
公開日2017-03-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1.
Bioorg. Med. Chem. Lett., 27, 2017
4F9N
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BU of 4f9n by Molmil
Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with N7-methylated guanine at 2.65 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, Ribosome inactivating protein
著者Yamini, S, Kushwaha, G.S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2012-05-19
公開日2012-06-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with N7-methylated guanine at 2.65 A resolution
To be Published
8EXP
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BU of 8exp by Molmil
Cryo-EM structure of S. aureus BlaR1 with C2 symmetry
分子名称: Beta-lactam sensor/signal transducer BlaR1, ZINC ION
著者Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J.
登録日2022-10-25
公開日2023-01-11
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
8EXS
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BU of 8exs by Molmil
Cryo-EM structure of S. aureus BlaR1 F284A mutant
分子名称: Beta-lactam sensor/signal transducer BlaR1, ZINC ION
著者Alexander, J.A.N, Hu, J, Worrall, L.J, Strynadka, N.C.J.
登録日2022-10-25
公開日2023-01-11
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
8EXR
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BU of 8exr by Molmil
Cryo-EM structure of S. aureus BlaR1 TM and zinc metalloprotease domain
分子名称: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Beta-lactam sensor/signal transducer BlaR1, PHOSPHATE ION, ...
著者Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J.
登録日2022-10-25
公開日2023-01-11
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
8EXT
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BU of 8ext by Molmil
Cryo-EM structure of S. aureus BlaR1 F284A mutant in complex with ampicillin
分子名称: Beta-lactam sensor/signal transducer BlaR1, ZINC ION
著者Alexander, J.A.N, Hu, J, Worrall, L.J, Strynadka, N.C.J.
登録日2022-10-25
公開日2023-01-11
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
8EXQ
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BU of 8exq by Molmil
Cryo-EM structure of S. aureus BlaR1 with C1 symmetry
分子名称: Beta-lactam sensor/signal transducer BlaR1, ZINC ION
著者Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J.
登録日2022-10-25
公開日2023-01-11
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
3DGB
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BU of 3dgb by Molmil
Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone
分子名称: MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
著者Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-06-13
公開日2009-03-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes
Biochemistry, 48, 2009
3DG3
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BU of 3dg3 by Molmil
Crystal structure of muconate lactonizing enzyme from Mucobacterium Smegmatis
分子名称: MAGNESIUM ION, Muconate cycloisomerase
著者Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C.
登録日2008-06-12
公開日2009-03-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes
Biochemistry, 48, 2009
7Z4V
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BU of 7z4v by Molmil
Structure of Serine-Threonine kinase STK25 in complex with compound
分子名称: 1,2-ETHANEDIOL, Serine/threonine-protein kinase 25, ~{N}-(5-~{tert}-butyl-1~{H}-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide
著者Nawrotek, A, Vuillard, L, Miallau, L.
登録日2022-03-04
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.644 Å)
主引用文献Targeting non-alcoholic fatty liver disease: Design, X-ray co-crystal structure and synthesis of 'first-in-kind' inhibitors of serine/threonine kinase25.
Bioorg.Med.Chem.Lett., 75, 2022
5BQL
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BU of 5bql by Molmil
Fluorescent protein cyOFP
分子名称: Fluorescent protein cyOFP
著者Sens, A, Ataie, N, Ng, H.L, Lin, M.Z, Chu, J.
登録日2015-05-29
公開日2016-06-01
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献A Guide to Fluorescent Protein FRET Pairs.
Sensors Basel Sensors, 16, 2016
5WQD
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BU of 5wqd by Molmil
Crystal structure of TRF2 TRFH in complex with an NBS1 peptide
分子名称: Nibrin, Telomeric repeat-binding factor 2
著者Hu, C, Chen, Y, Lei, M.
登録日2016-11-26
公開日2017-03-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献NBS1 Phosphorylation Status Dictates Repair Choice of Dysfunctional Telomeres
Mol. Cell, 65, 2017
8OZB
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BU of 8ozb by Molmil
Crystal structure of Nup35-Nb complex
分子名称: Nucleoporin NUP35, Nup35 nanobody
著者Srinivasan, V.
登録日2023-05-08
公開日2024-02-28
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies.
Embo J., 43, 2024
6XCR
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BU of 6xcr by Molmil
NMR structure of Ost4 in DPC micelles
分子名称: Oligosaccharyltransferase
著者Chaudhary, B.P.
登録日2020-06-09
公開日2021-02-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR and MD simulations reveal the impact of the V23D mutation on the function of yeast oligosaccharyltransferase subunit Ost4.
Glycobiology, 31, 2021
5BNQ
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BU of 5bnq by Molmil
Crystal structure of hRANKL-mRANK complex
分子名称: CHLORIDE ION, PHOSPHATE ION, SODIUM ION, ...
著者Ren, J.
登録日2015-05-26
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A RANKL mutant used as an inter-species vaccine for efficient immunotherapy of osteoporosis.
Sci Rep, 5, 2015
7YMN
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BU of 7ymn by Molmil
Cryo-EM structure of in vitro PHF fibril
分子名称: Isoform Tau-D of Microtubule-associated protein tau
著者Li, X, Liu, C.
登録日2022-07-28
公開日2022-12-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Subtle change of fibrillation condition leads to substantial alteration of recombinant Tau fibril structure.
Iscience, 25, 2022
6KYA
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BU of 6kya by Molmil
Crystal structure of human TLR8 in complex TH1027
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol, ...
著者Tanji, H, Sakaniwa, K, Ohto, U, Shimizu, T.
登録日2019-09-17
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Rationally Designed Small-Molecule Inhibitors Targeting an Unconventional Pocket on the TLR8 Protein-Protein Interface.
J.Med.Chem., 63, 2020
6XCU
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BU of 6xcu by Molmil
NMR structure of Ost4V23D, a critical mutant of Ost4, in DPC micelles
分子名称: Oligosaccharyltransferase
著者Chaudhary, B.P.
登録日2020-06-09
公開日2021-02-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR and MD simulations reveal the impact of the V23D mutation on the function of yeast oligosaccharyltransferase subunit Ost4.
Glycobiology, 31, 2021
6LIT
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BU of 6lit by Molmil
Estrogen-related receptor beta(ERR2) in complex with BPA
分子名称: 10-mer from Nuclear receptor coactivator 2, 4,4'-PROPANE-2,2-DIYLDIPHENOL, Steroid hormone receptor ERR2
著者Yao, B.Q, Li, Y.
登録日2019-12-13
公開日2020-10-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
7KHL
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BU of 7khl by Molmil
BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate)
分子名称: Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate
著者Murray, J.M.
登録日2020-10-21
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.286 Å)
主引用文献Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
7KHH
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BU of 7khh by Molmil
Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide)
分子名称: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
著者Murray, J.M.
登録日2020-10-21
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
6B9M
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BU of 6b9m by Molmil
Crystal structure of UHRF1 TTD domain in complex with the polybasic region
分子名称: E3 ubiquitin-protein ligase UHRF1
著者Song, J, Tan, X.
登録日2017-10-10
公開日2018-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献An Intramolecular Interaction of UHRF1 Reveals Dual Control for Its Histone Association.
Structure, 26, 2018

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