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6XX2
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Crystal structure of the c-Src SH3 domain H122R-Q128K mutant in complex with Cu(II) at pH 7.5 co-crystallized with methyl beta-cyclodextrin
分子名称: COPPER (II) ION, Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, Proto-oncogene tyrosine-protein kinase Src
著者Camara-Artigas, A.
登録日2020-01-26
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The effect of an engineered ATCUN motif on the structure and biophysical properties of the SH3 domain of c-Src tyrosine kinase.
J.Biol.Inorg.Chem., 25, 2020
6MX9
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BU of 6mx9 by Molmil
Lysozyme bound to 3-Aminophenol
分子名称: 1,2-ETHANEDIOL, 3-aminophenol, BENZAMIDINE, ...
著者Blackburn, A, Partowmah, S.H, Brennan, H.M, Mestizo, K.E, Stivala, C.D, Petreczky, J, Perez, A, Horn, A, McSweeney, S.
登録日2018-10-30
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A simple technique to improve microcrystals using gel exclusion of nucleation inducing elements
To Be Published
6XX7
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BU of 6xx7 by Molmil
Arabidopsis thaliana Casein Kinase 2 (CK2) alpha-1 crystal in complex with ANP
分子名称: CHLORIDE ION, Casein kinase II subunit alpha-1, MAGNESIUM ION, ...
著者Demulder, M, De Veylder, L, Loris, R.
登録日2020-01-27
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Arabidopsis thaliana casein kinase 2 alpha 1.
Acta Crystallogr.,Sect.F, 76, 2020
6N6Q
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BU of 6n6q by Molmil
Crystal structure of a Cytochrome P450 (CYP102L1)
分子名称: CACODYLATE ION, Cytochrome P450 (CYP102L1), PROTOPORPHYRIN IX CONTAINING FE
著者Follmer, A.H, Poulos, T.L.
登録日2018-11-26
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献On the occurrence of cytochrome P450 in viruses.
Proc.Natl.Acad.Sci.USA, 116, 2019
5YEF
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BU of 5yef by Molmil
Crystal structure of CTCF ZFs2-8-Hs5-1aE
分子名称: DNA (27-MER), Transcriptional repressor CTCF, ZINC ION
著者Yin, M, Wang, J, Wang, M, Li, X, Wang, Y.
登録日2017-09-17
公開日2017-11-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.807 Å)
主引用文献Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites
Cell Res., 27, 2017
5YF9
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BU of 5yf9 by Molmil
Crystal structure of CK2a2 form-2
分子名称: Casein kinase II subunit alpha', NICOTINIC ACID, SULFATE ION
著者Tsuyuguchi, M, Kinoshita, T.
登録日2017-09-20
公開日2018-05-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structures of human CK2 alpha 2 in new crystal forms arising from a subtle difference in salt concentration
Acta Crystallogr F Struct Biol Commun, 74, 2018
6N02
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BU of 6n02 by Molmil
CO-bound Sperm Whale Myoglobin, room temperature structure, first 2 degrees of 5 degree total oscillation
分子名称: CARBON MONOXIDE, Myoglobin, CO-bound, ...
著者Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D.
登録日2018-11-06
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
6XVR
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BU of 6xvr by Molmil
Human myelin protein P2 mutant L35S
分子名称: Myelin P2 protein, PALMITIC ACID, SULFATE ION
著者Ruskamo, S, Lehtimaki, M, Kursula, P.
登録日2020-01-22
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
8EML
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BU of 8eml by Molmil
Crystal Structure of Gsx2 Homeodomain in Complex with DNA
分子名称: DNA (5'-D(P*GP*AP*GP*CP*TP*AP*AP*TP*TP*AP*AP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*TP*TP*TP*AP*AP*TP*TP*AP*GP*CP*TP*C)-3'), GS homeobox 2, ...
著者Webb, J.A, Kovall, R.A.
登録日2022-09-28
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal Structure of Gsx2 Homeodomain in Complex with DNA
To Be Published
5YJ9
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BU of 5yj9 by Molmil
Crystal structure of Tribolium castaneum PINK1 kinase domain in complex with AMP-PNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PINK1, ...
著者Okatsu, K, Sato, Y, Fukai, S.
登録日2017-10-09
公開日2018-07-25
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural insights into ubiquitin phosphorylation by PINK1.
Sci Rep, 8, 2018
8YA1
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HEN EGG WHITE LYSOZYME
分子名称: Lysozyme C
著者Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8YBG
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Crystal structure of lysozyme by serial synchrotron crystallography
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Nam, K.H.
登録日2024-02-14
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of lysozyme by serial synchrotron crystallography
To Be Published
5YJM
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BU of 5yjm by Molmil
Human chymase in complex with 7-oxo-3-(phenoxyimino)-1,4-diazepane derivative
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ...
著者Sugawara, H.
登録日2017-10-11
公開日2017-12-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors
Bioorg. Med. Chem. Lett., 28, 2018
6N3N
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BU of 6n3n by Molmil
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
分子名称: N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2
著者Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
登録日2018-11-15
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
8ENJ
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BU of 8enj by Molmil
Design, synthesis, biological evaluation, and X-ray crystallography of diarylpyrazole derivatives possessing terminal arylsulfonamide moieties as anti-proliferative agents targeting c-Jun N-terminal kinase (JNK)
分子名称: Mitogen-activated protein kinase 10, N-[3-({(4P)-4-[(3M)-1-tert-butyl-3-(3-hydroxyphenyl)-1H-pyrazol-4-yl]pyridin-2-yl}amino)propyl]-4-hydroxybenzene-1-sulfonamide
著者Park, H, Mersal, K.I.
登録日2022-09-30
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Evaluation of novel pyrazol-4-yl pyridine derivatives possessing arylsulfonamide tethers as c-Jun N-terminal kinase (JNK) inhibitors in leukemia cells.
Eur.J.Med.Chem., 261, 2023
5YID
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BU of 5yid by Molmil
Crystal Structure of KNI-10395 bound Plasmepsin II (PMII) from Plasmodium falciparum
分子名称: (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ...
著者Mishra, V, Rathore, I, Bhaumik, P.
登録日2017-10-04
公開日2018-07-11
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
6N48
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BU of 6n48 by Molmil
Structure of beta2 adrenergic receptor bound to BI167107, Nanobody 6B9, and a positive allosteric modulator
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid Antibody Fragment, ...
著者Liu, X, Masoudi, A, Kahsai, A.W, Huang, L.Y, Pani, B, Hirata, K, Ahn, S, Lefkowitz, R.J, Kobilka, B.K.
登録日2018-11-17
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mechanism of beta2AR regulation by an intracellular positive allosteric modulator.
Science, 364, 2019
5YKW
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BU of 5ykw by Molmil
Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
分子名称: Thioredoxin-3, mitochondrial, peptide THR-PRO-VAL-CYS-THR-THR-GLU-VAL
著者Li, C.C, Yang, J, Yang, M.J, Liu, L, Peng, C.T, Li, T, He, L.H, Song, Y.J, Zhu, Y.B, Zhao, N.L, Zhao, C, Bao, R.
登録日2017-10-16
公開日2018-10-24
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
to be published
8ERN
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BU of 8ern by Molmil
Cyclin-free CDK2 in complex with Cpd21
分子名称: Cyclin-dependent kinase 2, GLYCEROL, N,3-dimethyl-4-({7-[(2S)-2-methylpyrrolidine-1-carbonyl]quinazolin-2-yl}amino)benzene-1-sulfonamide
著者Murray, J.M, Oh, A.
登録日2022-10-12
公開日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Cyclin-free CDK2 in complex with Cpd21
To Be Published
8YA4
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Crystal structure of a lysozyme form hen egg white
分子名称: Lysozyme C
著者Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8OIL
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BU of 8oil by Molmil
Plasmodium falciparum circumsporozoite protein C-terminal domain
分子名称: Circumsporozoite protein
著者Sterckx, Y.G.-J, Volkov, A.N, Geens, R.
登録日2023-03-23
公開日2024-02-28
最終更新日2024-10-09
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Plasmodium falciparum circumsporozoite protein C-terminal domain
To Be Published
6MQG
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BU of 6mqg by Molmil
Crystal structure of KRAS V14I-GDP demonstrating open switch 1 conformation - Form 1
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE
著者Bera, A.K, Westover, K.D.
登録日2018-10-09
公開日2019-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of the atypical activation mechanism of KRASV14I.
J.Biol.Chem., 294, 2019
8YBH
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BU of 8ybh by Molmil
Crystal structure of lysozyme by macromolecular crystallography
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Nam, K.H.
登録日2024-02-14
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of lysozyme by macromolecular crystallography
To Be Published
8Y9W
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BU of 8y9w by Molmil
CRYSTAL STRUCTURE OF A LYSOZYME FROM HEN EGG WHITE
分子名称: Lysozyme C
著者Zhang, C.Y, Xu, Q, Zhou, H, Wang, Q.S.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8OZ3
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BU of 8oz3 by Molmil
Crystal structure of scFv ATOR 1017 bound to human 4-1BB
分子名称: Single chain Fv, Tumor necrosis factor receptor superfamily member 9
著者Hakansson, M, Von Schantz, L, Rose, N.
登録日2023-05-08
公開日2024-03-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献ATOR-1017 (evunzekibart), an Fc-gamma receptor conditional 4-1BB agonist designed for optimal safety and efficacy, activates exhausted T cells in combination with anti-PD-1.
Cancer Immunol.Immunother., 72, 2023

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件を2024-10-09に公開中

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