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PDB: 89472 件

6OMU
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BU of 6omu by Molmil
Structure of human Bruton's Tyrosine Kinase in complex with Evobrutinib
分子名称: 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, Tyrosine-protein kinase BTK
著者Mochalkin, I, Gardberg, A.S.
登録日2019-04-19
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases.
J.Med.Chem., 62, 2019
7M7X
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BU of 7m7x by Molmil
NMR Solution Structure of a CsrA-binding peptide
分子名称: CsrA-binding peptide
著者Harvey, P.J, White, A.M, Durek, T, Craik, D.J.
登録日2021-03-29
公開日2022-02-09
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Phage display-based discovery of cyclic peptides against the broad spectrum bacterial anti-virulence target CsrA
Eur.J.Med.Chem., 231, 2022
7URM
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BU of 7urm by Molmil
allo-tRNAUTu1A in the P site of the E. coli ribosome
分子名称: allo-tRNAUTU1A
著者Zhang, J, Prabhakar, A, Krahn, N, Vargas-Rodriguez, O, Krupkin, M, Fu, Z, Acosta-Reyes, F.J, Ge, X, Choi, J, Crnkovic, A, Ehrenberg, M, Viani Puglisi, E, Soll, D, Puglisi, J.
登録日2022-04-22
公開日2022-08-10
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Uncovering translation roadblocks during the development of a synthetic tRNA.
Nucleic Acids Res., 50, 2022
8U5X
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BU of 8u5x by Molmil
The mTORC1 cholesterol sensor LYCHOS (GPR155) - auxin bound, open state
分子名称: 1H-INDOL-3-YLACETIC ACID, Integral membrane protein GPR155
著者Bayly-Jones, C, Lupton, C.J, Ellisdon, A.M.
登録日2023-09-13
公開日2024-09-18
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献The structure of GPR155
To Be Published
4Z5D
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BU of 4z5d by Molmil
HipB-O4 21mer complex
分子名称: Antitoxin HipB, DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*AP*A)-3')
著者Min, J, Brennan, R.G, Schumacher, M.A.
登録日2015-04-02
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular mechanism on hipBA gene regulation.
To be published
8QA2
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BU of 8qa2 by Molmil
Cryo-EM structure of Cx26 solubilised in LMNG: classification on subunit A; Nconst-mon conformation
分子名称: Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
著者Brotherton, D.H, Cameron, A.D.
登録日2023-08-22
公開日2024-06-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structures of wild-type and a constitutively closed mutant of connexin26 shed light on channel regulation by CO 2.
Elife, 13, 2024
8U5V
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BU of 8u5v by Molmil
The mTORC1 cholesterol sensor LYCHOS (GPR155) - auxin bound, closed state
分子名称: 1H-INDOL-3-YLACETIC ACID, CHOLESTEROL HEMISUCCINATE, Integral membrane protein GPR155
著者Bayly-Jones, C, Lupton, C.J, Ellisdon, A.M.
登録日2023-09-13
公開日2024-09-18
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献The structure of GPR155
To Be Published
6GR2
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BU of 6gr2 by Molmil
Structure of human galactokinase in complex with galactose and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Galactokinase, SULFATE ION, ...
著者Bezerra, G.A, Mackinnon, S, Williams, E, Zhang, M, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC)
登録日2018-06-08
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure of human galactokinase in complex with galactose and ADP
To Be Published
6V8F
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BU of 6v8f by Molmil
Crystal structure of recombinat mutant Q185R of human fumarase
分子名称: CHLORIDE ION, Fumarate hydratase, mitochondrial, ...
著者Ajalla, M.A.A, Nonato, M.C.
登録日2019-12-11
公開日2020-12-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of recombinat mutant Q185R of human fumarase
To Be Published
5N2N
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BU of 5n2n by Molmil
Crystal structure of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana complexed with Mg2+ and BeF3-
分子名称: BERYLLIUM TRIFLUORIDE ION, Histidine kinase CKI1, MAGNESIUM ION
著者Otrusinova, O, Demo, G, Padrta, P, Jasenakova, Z, Pekarova, B, Gelova, Z, Szmitkowska, A, Kaderavek, P, Jansen, S, Zachrdla, M, Klumpler, T, Marek, J, Hritz, J, Janda, L, Iwai, H, Wimmerova, M, Hejatko, J, Zidek, L.
登録日2017-02-08
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Conformational dynamics are a key factor in signaling mediated by the receiver domain of a sensor histidine kinase from Arabidopsis thaliana.
J. Biol. Chem., 292, 2017
7UW8
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BU of 7uw8 by Molmil
Drosophila melanogaster setdb1-tuor domain
分子名称: Histone-lysine N-methyltransferase eggless
著者Zhou, M, Dong, A, Liu, K, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2022-05-03
公開日2022-08-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Drosophila melanogaster setdb1-tuor domain
To Be Published
5V01
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BU of 5v01 by Molmil
Crystal structure of the competence damage-inducible protein A (ComA) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578
分子名称: CHLORIDE ION, Competence damage-inducible protein A, SODIUM ION
著者Borek, D, Wawrzak, Z, Grimshaw, S, Sandoval, J, Evdokimova, E, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-02-28
公開日2017-03-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of the competence damage-inducible protein A (ComA) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578
To Be Published
8QBB
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BU of 8qbb by Molmil
Helical reconstruction of yeast eisosome protein Pil1 bound to membrane composed of lipid mixture +PIP2/-sterol (DOPC, DOPE, DOPS, PI(4,5)P2 50:20:20:10)
分子名称: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Sphingolipid long chain base-responsive protein PIL1
著者Kefauver, J.M, Zou, L, Desfosses, A, Loewith, R.J.
登録日2023-08-24
公開日2024-07-24
最終更新日2024-08-28
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Cryo-EM architecture of a near-native stretch-sensitive membrane microdomain.
Nature, 632, 2024
6RAF
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BU of 6raf by Molmil
Heterodimeric ABC exporter TmrAB in inward-facing narrow conformation under turnover conditions
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Anti-vesicular stomatitis virus N VHH, ...
著者Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
登録日2019-04-06
公開日2019-07-31
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
5N30
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BU of 5n30 by Molmil
Crystal structure of the V72I mutant of the mouse alpha-Dystroglycan N-terminal region
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dystroglycan
著者Cassetta, A, Covaceuszach, S, Brancaccio, A, Sciandra, F, Bozzi, M, Bigotti, M.G, Konarev, P.V.
登録日2017-02-08
公開日2017-11-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The effect of the pathological V72I, D109N and T190M missense mutations on the molecular structure of alpha-dystroglycan.
PLoS ONE, 12, 2017
8U56
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BU of 8u56 by Molmil
The mTORC1 cholesterol sensor LYCHOS (GPR155)
分子名称: CHOLESTEROL HEMISUCCINATE, Integral membrane protein GPR155, Lauryl Maltose Neopentyl Glycol
著者Bayly-Jones, C, Lupton, C.J, Ellisdon, A.M.
登録日2023-09-12
公開日2024-09-18
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献The structure of GPR155
To Be Published
7NG0
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BU of 7ng0 by Molmil
Crystal structure of N- and C-terminally truncated Geobacillus thermoleovorans nucleoid occlusion protein Noc
分子名称: Nucleoid occlusion protein, SULFATE ION
著者Jalal, A.S.B, Tran, N.T, Wu, L.J, Ramakrishnan, K, Rejzek, M, Stevenson, C.E.M, Lawson, D.M, Errington, J, Le, T.B.K.
登録日2021-02-08
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献CTP regulates membrane-binding activity of the nucleoid occlusion protein Noc.
Mol.Cell, 81, 2021
6ZW0
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BU of 6zw0 by Molmil
Connectase MJ0548 from Methanocaldococcus jannaschii in complex with an MtrA-derived peptide
分子名称: 2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid, Connectase MJ0548, Tetrahydromethanopterin S-methyltransferase subunit A
著者Fuchs, A.C.D, Hartmann, M.D.
登録日2020-07-27
公開日2021-06-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Archaeal Connectase is a specific and efficient protein ligase related to proteasome beta subunits.
Proc.Natl.Acad.Sci.USA, 118, 2021
6MAU
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BU of 6mau by Molmil
Crystal structure of human BRD4(1) in complex with CN210 (compound 19)
分子名称: 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol, Bromodomain-containing protein 4, GLYCEROL
著者Nadupalli, A, Fontano, E, Connors, C.R, Chan, S.G, Olland, A.M, Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2018-08-28
公開日2019-04-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases.
Bioorg. Med. Chem. Lett., 29, 2019
8BXL
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BU of 8bxl by Molmil
Patulin Synthase from Penicillium expansum
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, DI(HYDROXYETHYL)ETHER, ...
著者Tjallinks, G, Boverio, A, Rozeboom, H.J, Fraaije, M.W.
登録日2022-12-09
公開日2023-09-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure elucidation and characterization of patulin synthase, insights into the formation of a fungal mycotoxin.
Febs J., 290, 2023
6GI4
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BU of 6gi4 by Molmil
Structure of Lytic Transglycosylase MltE mutant S75A from E.coli
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-type membrane-bound lytic murein transglycosylase A
著者Batuecas, M.T, Hermoso, J.A.
登録日2018-05-09
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A Structural Dissection of the Active Site of the Lytic Transglycosylase MltE from Escherichia coli.
Biochemistry, 57, 2018
8U54
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BU of 8u54 by Molmil
The mTORC1 cholesterol sensor LYCHOS (GPR155)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Integral membrane protein GPR155
著者Bayly-Jones, C, Lupton, C.J, Ellisdon, A.M.
登録日2023-09-12
公開日2024-09-18
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献The structure of GPR155
To Be Published
5JY9
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BU of 5jy9 by Molmil
An iron-bound structure of the salicylate synthase Irp9
分子名称: ACETATE ION, FE (II) ION, Putative salicylate synthetase, ...
著者Meneely, K.M, Lamb, A.L.
登録日2016-05-13
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.162 Å)
主引用文献An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
6MFB
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BU of 6mfb by Molmil
Crystal structure of 3-hydroxykynurenine transaminase from Aedes aegypti
分子名称: PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase
著者Maciel, L.G, Oliveira, A.A, Romao, T.P, Silva Filha, M.H.N.L, dos Anjos, J.V, Soares, T.A, Guido, R.V.C.
登録日2018-09-10
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of 3-hydroxykynurenine transaminase from Aedes aegypti
To Be Published
8U5Q
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BU of 8u5q by Molmil
The mTORC1 cholesterol sensor LYCHOS (GPR155) - dimer with auxin
分子名称: 1H-INDOL-3-YLACETIC ACID, Integral membrane protein GPR155
著者Bayly-Jones, C, Lupton, C.J, Ellisdon, A.M.
登録日2023-09-12
公開日2024-09-18
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献The structure of GPR155
To Be Published

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件を2024-10-16に公開中

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