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8JV5
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BU of 8jv5 by Molmil
Cryo-EM structure of the zebrafish P2X4 receptor in complex with BX430
分子名称: 1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-pyridin-3-yl-urea, 2-acetamido-2-deoxy-beta-D-glucopyranose, P2X purinoceptor
著者Hattori, M, Shen, C.
登録日2023-06-27
公開日2023-10-18
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural insights into the allosteric inhibition of P2X4 receptors.
Nat Commun, 14, 2023
5X6Y
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BU of 5x6y by Molmil
Crystal structure of Rice Dwarf Virus P5 in complex with S-adenosylmethionine
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, S-ADENOSYLMETHIONINE, ...
著者Nakamichi, Y, Higashiura, A, Nakagawa, A.
登録日2017-02-23
公開日2018-02-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the capping enzyme P5 from Rice Dwarf Virus
To Be Published
8EMZ
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BU of 8emz by Molmil
Structure of GII.17 norovirus in complex with Nanobody 2
分子名称: 1,2-ETHANEDIOL, GII.17 P domain, Nanobody 2
著者Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
登録日2022-09-28
公開日2023-03-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
8JUY
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BU of 8juy by Molmil
Human ATAD2 Walker B mutant-H3/H4K5Q complex, ATP state (Class II)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase family AAA domain-containing protein 2
著者Cho, C, Song, J.
登録日2023-06-27
公開日2023-10-18
実験手法ELECTRON MICROSCOPY (4.34 Å)
主引用文献Structure of the human ATAD2 AAA+ histone chaperone reveals mechanism of regulation and inter-subunit communication.
Commun Biol, 6, 2023
8R4U
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BU of 8r4u by Molmil
Structure of salt-inducible kinase 3 with inhibitors
分子名称: 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, SULFATE ION, Serine/threonine-protein kinase SIK3, ...
著者Kack, H, Oster, L.
登録日2023-11-14
公開日2024-03-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.416 Å)
主引用文献The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
6NSQ
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BU of 6nsq by Molmil
Crystal structure of BRAF kinase domain bound to the inhibitor 2l
分子名称: 5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine, Serine/threonine-protein kinase B-raf
著者Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Zhang, C, Sicheri, F.
登録日2019-01-25
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Rigidification Dramatically Improves Inhibitor Selectivity for RAF Kinases.
Acs Med.Chem.Lett., 10, 2019
8EN2
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BU of 8en2 by Molmil
Structure of GII.10 norovirus in complex with Nanobody 34
分子名称: 1,2-ETHANEDIOL, GII.10 P domain, Nanobody 34
著者Kher, G, Sabin, C, Koromyslova, A, Pancera, M, Hansman, G.
登録日2022-09-28
公開日2023-03-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
6W34
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BU of 6w34 by Molmil
Crystal Structure of Class A Beta-lactamase from Bacillus cereus
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-08
公開日2020-03-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of Class A Beta-lactamase from Bacillus cereus
To Be Published
6YCY
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BU of 6ycy by Molmil
Plasmodium falciparum Myosin A full-length, post-rigor state
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A.
登録日2020-03-19
公開日2020-11-11
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets.
Elife, 9, 2020
8EIS
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BU of 8eis by Molmil
Cryo-EM structure of octopus sensory receptor CRT1
分子名称: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Octopus sensory receptor
著者Kang, G, Kim, J.J, Allard, C.A.H, Valencia-Montoya, W.A, Bellono, N.W, Hibbs, R.E.
登録日2022-09-15
公開日2023-04-12
最終更新日2025-07-23
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Structural basis of sensory receptor evolution in octopus.
Nature, 616, 2023
4WFB
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BU of 4wfb by Molmil
The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with BC-3205
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 23S rRNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eyal, Z, Matzov, D, Krupkin, M, Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.E.
登録日2014-09-14
公開日2015-10-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.43 Å)
主引用文献Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 112, 2015
8GYF
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BU of 8gyf by Molmil
Crystal structure of a bright green fluorescent protein (StayGold) with single mutation (K192Y) in jellyfish Cytaeis uchidae from Biortus
分子名称: 1,2-ETHANEDIOL, staygold(K192Y)
著者Wu, J, Wang, F, Gui, W, Cheng, W, Yang, Y.
登録日2022-09-22
公開日2023-10-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a bright green fluorescent protein (StayGold) with single mutation (K192Y) in jellyfish Cytaeis uchidae from Biortus
To Be Published
7XHD
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BU of 7xhd by Molmil
Crystal structure of a dimeric interlocked parallel G-quadruplex
分子名称: DNA (5'-D(*GP*GP*GP*GP*TP*GP*GP*GP*TP*GP*GP*TP*GP*GP*GP*T)-3'), POTASSIUM ION
著者Ngo, K.H, Liew, C.W, Lattmann, S, Winnerdy, F.R, Phan, A.T.
登録日2022-04-08
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structures of an HIV-1 integrase aptamer: Formation of a water-mediated A•G•G•G•G pentad in an interlocked G-quadruplex.
Biochem.Biophys.Res.Commun., 613, 2022
6VVC
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BU of 6vvc by Molmil
Legionella pneumophila Lpg2603 kinase
分子名称: 1,2-ETHANEDIOL, Dot/Icm T4SS effector
著者Tomchick, D.R, Tagliabracci, V.S, Park, B.C.
登録日2020-02-17
公開日2020-04-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献ALegionellaeffector kinase is activated by host inositol hexakisphosphate.
J.Biol.Chem., 295, 2020
8Z1L
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BU of 8z1l by Molmil
Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant atomoxetine in an outward-open state at resolution of 3.4 angstrom.
分子名称: (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine, CHLORIDE ION, Sodium-dependent noradrenaline transporter
著者Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
登録日2024-04-11
公開日2024-07-31
最終更新日2025-07-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 632, 2024
6NZM
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BU of 6nzm by Molmil
Brutons tyrosine kinase in complex with compound 50.
分子名称: 1,2-ETHANEDIOL, N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea, Tyrosine-protein kinase BTK
著者Marcotte, D.J.
登録日2019-02-14
公開日2019-06-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens.
Bioorg.Med.Chem., 27, 2019
435D
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BU of 435d by Molmil
5'-R(*UP*AP*GP*CP*CP*CP*C)-3', 5'-R(*GP*GP*GP*GP*CP*UP*A)-3'
分子名称: RNA (5'-R(*GP*GP*GP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*CP*CP*C)-3'), SODIUM ION
著者Mueller, U, Schuebel, H, Sprinzl, M, Heinemann, U.
登録日1998-10-23
公開日1999-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of acceptor stem of tRNA(Ala) from Escherichia coli shows unique G.U wobble base pair at 1.16 A resolution.
RNA, 5, 1999
4WVF
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BU of 4wvf by Molmil
Crystal structure of KPT276 in complex with CRM1-Ran-RanBP1
分子名称: (2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Sun, Q, Chook, Y.
登録日2014-11-05
公開日2015-07-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nuclear export inhibitors avert progression in preclinical models of inflammatory demyelination.
Nat.Neurosci., 18, 2015
7MEW
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BU of 7mew by Molmil
E. coli MsbA in complex with G247
分子名称: (2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid, ATP-dependent lipid A-core flippase
著者Thelot, F, Liao, M.
登録日2021-04-08
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Distinct allosteric mechanisms of first-generation MsbA inhibitors.
Science, 374, 2021
7MII
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BU of 7mii by Molmil
Human CTPS2 bound to inhibitor T35
分子名称: 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide, CTP synthase 2, GLUTAMINE, ...
著者Lynch, E.M, Dimattia, M.A, Kollman, J.M.
登録日2021-04-16
公開日2021-10-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
7QH9
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BU of 7qh9 by Molmil
TarM(Se)_G117R-4RboP
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, TarM(Se)_G117R-4RboP, ...
著者Guo, Y, Stehle, T.
登録日2021-12-10
公開日2023-05-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.689 Å)
主引用文献Invasive Staphylococcus epidermidis uses a unique processive wall teichoic acid glycosyltransferase to evade immune recognition.
Sci Adv, 9, 2023
9QGD
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BU of 9qgd by Molmil
Crystal structure of an NADH-accepting ene reductase variant NostocER1-L1,5 mutant Q350K
分子名称: 1,2-ETHANEDIOL, ACETATE ION, All1865 protein, ...
著者Bischoff, D, Walla, B, Janowski, R, Maslakova, A, Niessing, D, Weuster-Botz, D.
登録日2025-03-13
公開日2025-04-02
最終更新日2025-05-14
実験手法X-RAY DIFFRACTION (1.239 Å)
主引用文献Rational Introduction of Electrostatic Interactions at Crystal Contacts to Enhance Protein Crystallization of an Ene Reductase.
Biomolecules, 15, 2025
4WMI
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BU of 4wmi by Molmil
Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese, product ligand and UDP (Product complex I)
分子名称: Coagulation factor IX, MANGANESE (II) ION, SULFATE ION, ...
著者Yu, H, Li, H.
登録日2014-10-09
公開日2015-09-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Notch-modifying xylosyltransferase structures support an SNi-like retaining mechanism.
Nat.Chem.Biol., 11, 2015
8EXM
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BU of 8exm by Molmil
Crystal structure of PTP1B D181A/Q262A phosphatase domain with a JAK3 activation loop phosphopeptide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Tyrosine-protein kinase JAK3 activation loop peptide, ...
著者Morris, R, Kershaw, N.J, Babon, J.J.
登録日2022-10-25
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8Z4S
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BU of 8z4s by Molmil
The crystal structure of a Hydroquinone Dioxygenase PaD with nonnatural substrate S6
分子名称: 2,3,5-trimethylbenzene-1,4-diol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Liu, Z.W, Huang, J.-W, Wang, Y.X, Chen, C.-C, Guo, R.-T.
登録日2024-04-17
公開日2024-09-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Substrate specificity of a branch of aromatic dioxygenases determined by three distinct motifs.
Nat Commun, 15, 2024

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