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5FZT
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BU of 5fzt by Molmil
The crystal structure of R7R8 in complex with a DLC1 fragment.
分子名称: MALONATE ION, RHO GTPASE-ACTIVATING PROTEIN 7, TALIN-1
著者Zacharchenko, T, Qian, X, Goult, B.T, Jethwa, D, Almeida, T, Ballestrem, C, Critchley, D.R, Lowy, D.R, Barsukov, I.L.
登録日2016-03-15
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ld Motif Recognition by Talin: Structure of the Talin-Dlc1 Complex.
Structure, 24, 2016
6ZYE
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BU of 6zye by Molmil
YnaI in an open-like conformation
分子名称: YnaI,Low conductance mechanosensitive channel YnaI
著者Flegler, V.J, Rasmussen, A, Rao, S, Wu, N, Zenobi, R, Sansom, M.S.P, Hedrich, R, Rasmussen, T, Boettcher, B.
登録日2020-07-31
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献The MscS-like channel YnaI has a gating mechanism based on flexible pore helices.
Proc.Natl.Acad.Sci.USA, 117, 2020
5XV1
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BU of 5xv1 by Molmil
Crystal structure of ATG101-ATG13HORMA
分子名称: Autophagy-related protein 101, Autophagy-related protein 13
著者Kim, B.-W, Song, H.K.
登録日2017-06-26
公開日2018-07-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.508 Å)
主引用文献Crystal structure of ATG101-ATG13HORMA
To Be Published
5F8G
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BU of 5f8g by Molmil
Enterovirus 71 Polymerase Elongation Complex (C1S1 Form)
分子名称: Genome polyprotein, RNA (35-MER), RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*GP*A)-3'), ...
著者Shu, B, Gong, P.
登録日2015-12-09
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structural basis of viral RNA-dependent RNA polymerase catalysis and translocation
Proc.Natl.Acad.Sci.USA, 113, 2016
6ZLZ
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BU of 6zlz by Molmil
Crystal Structure of Merkel Cell Polyomavirus Virus-like Particle
分子名称: CALCIUM ION, Capsid protein VP1
著者Bayer, N.J, Stehle, T, Blaum, B.S.
登録日2020-07-01
公開日2020-08-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献Structure of Merkel Cell Polyomavirus Capsid and Interaction with Its Glycosaminoglycan Attachment Receptor.
J.Virol., 94, 2020
5FJ2
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BU of 5fj2 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((4-CHLORO-3-((METHYLAMINO)METHYL) PHENOXY)METHYL)QUINOLIN-2-AMINE
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-10-06
公開日2015-10-28
最終更新日2015-11-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
6NSD
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BU of 6nsd by Molmil
Tar14, tryptophan C-6 flavin-dependent halogenase (chlorinase) from taromycin biosynthesis
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Tryptophan halogenase
著者Luhavaya, H, Chekan, J.R, Moore, B.S.
登録日2019-01-24
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Biosynthesis of l-4-Chlorokynurenine, an Antidepressant Prodrug and a Non-Proteinogenic Amino Acid Found in Lipopeptide Antibiotics.
Angew.Chem.Int.Ed.Engl., 58, 2019
7PG7
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BU of 7pg7 by Molmil
10-decarboxylase TamK from Streptomyces tsukubaensis
分子名称: Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Nji Wandi, B, Dinis, P, MetsaKetela, M.
登録日2021-08-13
公開日2022-08-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Evolution-inspired engineering of anthracycline methyltransferases.
Pnas Nexus, 2, 2023
6G24
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BU of 6g24 by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 3
分子名称: 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid, Histone-lysine N-methyltransferase NSD3
著者Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
登録日2018-03-22
公開日2019-06-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6BSW
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BU of 6bsw by Molmil
Crystal structure of Xyloglucan Xylosyltransferase 1 ternary form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MANGANESE (II) ION, ...
著者Culbertson, A.T, Ehrlich, J.J, Choe, J, Honzatko, R.B, Zabotina, O.A.
登録日2017-12-04
公開日2018-05-23
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (2.156 Å)
主引用文献Structure of xyloglucan xylosyltransferase 1 reveals simple steric rules that define biological patterns of xyloglucan polymers.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6G2C
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BU of 6g2c by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 9
分子名称: 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3
著者Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
登録日2018-03-22
公開日2019-06-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6BTZ
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BU of 6btz by Molmil
Crystal structure of the PI3KC2alpha C2 domain in space group C121
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, GLYCEROL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, ...
著者Chen, K.-E, Collins, B.M.
登録日2017-12-08
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular Basis for Membrane Recruitment by the PX and C2 Domains of Class II Phosphoinositide 3-Kinase-C2 alpha.
Structure, 26, 2018
6XQB
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BU of 6xqb by Molmil
SARS-CoV-2 RdRp/RNA complex
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Liu, B, Shi, W, Yang, Y.
登録日2020-07-09
公開日2020-07-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of SARS-CoV-2 RdRp/RNA complex at 3.4 Angstroms resolution
To Be Published
7POT
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BU of 7pot by Molmil
PI3 kinase delta in complex with N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxypyridin-3-yl]benzenesulfonamide
分子名称: N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Rowland, P, Convery, M.
登録日2021-09-09
公開日2021-09-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
7POS
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BU of 7pos by Molmil
PI3 kinase delta in complex with 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(5-{3-[4-(propan-2-yl)piperazin-1-yl]prop-1-yn-1-yl}pyridin-3-yl)pyridine-3-sulfonamide
分子名称: 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Rowland, P, Convery, M.
登録日2021-09-09
公開日2021-09-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
7POR
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BU of 7por by Molmil
PI3 kinase delta in complex with N-[2-(2-fluoro-4-{[4-(propan-2-yl)piperazin-1-yl]methyl}phenyl)pyridin-4-yl]-2-methoxy-5-(morpholin-4-yl)pyridine-3-sulfonamide
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide
著者Rowland, P, Convery, M.
登録日2021-09-09
公開日2021-09-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
8E9Z
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BU of 8e9z by Molmil
CryoEM structure of miniGq-coupled hM3R in complex with Iperoxo
分子名称: 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhang, S, Fay, J.F, Roth, B.L.
登録日2022-08-27
公開日2022-11-30
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (2.69 Å)
主引用文献Molecular basis for selective activation of DREADD-based chemogenetics.
Nature, 612, 2022
8EA0
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BU of 8ea0 by Molmil
CryoEM structure of miniGq-coupled hM3R in complex with iperoxo (local refinement)
分子名称: 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, CHOLESTEROL HEMISUCCINATE, Muscarinic acetylcholine receptor M3
著者Zhang, S, Fay, J.F, Roth, B.L.
登録日2022-08-27
公開日2022-11-30
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献Molecular basis for selective activation of DREADD-based chemogenetics.
Nature, 612, 2022
7POP
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BU of 7pop by Molmil
PI3 kinase delta in complex with 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide
分子名称: 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Rowland, P, Convery, M.
登録日2021-09-09
公開日2021-09-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
8J56
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BU of 8j56 by Molmil
Crystal structure of the FlhDC complex from Cupriavidus necator
分子名称: Flagellar transcriptional regulator FlhC, Flagellar transcriptional regulator FlhD, ZINC ION
著者Cho, S.Y, Oh, H.B, Yoon, S.I.
登録日2023-04-21
公開日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Hexameric structure of the flagellar master regulator FlhDC from Cupriavidus necator and its interaction with flagellar promoter DNA.
Biochem.Biophys.Res.Commun., 672, 2023
7PVC
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BU of 7pvc by Molmil
The structure of Kbp.K from E. coli with potassium bound.
分子名称: POTASSIUM ION, Potassium binding protein Kbp
著者Smith, B.O.
登録日2021-10-01
公開日2021-10-13
最終更新日2023-10-11
実験手法SOLUTION NMR
主引用文献Tuning the Sensitivity of Genetically Encoded Fluorescent Potassium Indicators through Structure-Guided and Genome Mining Strategies.
ACS Sens, 7, 2022
7NXF
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BU of 7nxf by Molmil
Structure of the fungal plasma membrane proton pump Pma1 in its auto-inhibited state - monomer unit
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ...
著者Heit, S, Geurts, M.M.G, Murphy, B.J, Corey, R, Mills, D.J, Kuehlbrandt, W, Bublitz, M.
登録日2021-03-18
公開日2021-11-17
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the hexameric fungal plasma membrane proton pump in its autoinhibited state.
Sci Adv, 7, 2021
5F8H
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BU of 5f8h by Molmil
Enterovirus 71 Polymerase Elongation Complex (C1S1/2 Form)
分子名称: Genome polyprotein, MAGNESIUM ION, RNA (35-MER), ...
著者Shu, B, Gong, P.
登録日2015-12-09
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis of viral RNA-dependent RNA polymerase catalysis and translocation
Proc.Natl.Acad.Sci.USA, 113, 2016
4PD2
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BU of 4pd2 by Molmil
Crystal structure of a complex between a C248GH LlFpg mutant and a THF containing DNA
分子名称: DNA (5'-D(*CP*TP*CP*TP*TP*TP*(3DR)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), Formamidopyrimidine-DNA glycosylase, ...
著者Coste, F, Castaing, B.
登録日2014-04-17
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Zinc finger oxidation of Fpg/Nei DNA glycosylases by 2-thioxanthine: biochemical and X-ray structural characterization.
Nucleic Acids Res., 42, 2014
6APB
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BU of 6apb by Molmil
Crystal Structure of Non-Neutralizing Infant Antibody ADI-14359 in Complex with Postfusion RSV F Glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-14359 Fab Light Chain, Fusion glycoprotein F0,Fusion glycoprotein F0, ...
著者Gilman, M.S.A, McLellan, J.S.
登録日2017-08-17
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Infants Infected with Respiratory Syncytial Virus Generate Potent Neutralizing Antibodies that Lack Somatic Hypermutation.
Immunity, 48, 2018

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