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7D4G
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BU of 7d4g by Molmil
A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2
分子名称: Heavy chain of FC05 Fab, Light chain of FC05 Fab, Spike glycoprotein S1
著者Cao, L, Wang, X.
登録日2020-09-23
公開日2021-04-07
最終更新日2022-02-23
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2.
Natl Sci Rev, 8, 2021
7CHU
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BU of 7chu by Molmil
Geobacillus virus E2 - ORF18
分子名称: Putative pectin lyase
著者Gong, Y.
登録日2020-07-06
公開日2021-04-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.008 Å)
主引用文献Structural and functional characterization of the deep-sea thermophilic bacteriophage GVE2 tailspike protein.
Int.J.Biol.Macromol., 164, 2020
4W63
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BU of 4w63 by Molmil
TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR
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, Acetylcholinesterase, ...
著者Pesaresi, A, Samez, S, Lamba, D.
登録日2014-08-20
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography.
J.Med.Chem., 59, 2016
2QN2
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BU of 2qn2 by Molmil
Glycogen Phosphorylase b in complex with Maslinic Acid
分子名称: Glycogen phosphorylase, muscle form, maslinic acid
著者Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G.
登録日2007-07-17
公開日2008-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
2QMG
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BU of 2qmg by Molmil
Structure of BACE Bound to SCH745966
分子名称: Beta-secretase 1, D(-)-TARTARIC ACID, N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE
著者Strickland, C.O, Iserloh, U.
登録日2007-07-16
公開日2008-03-18
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
8QJ3
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BU of 8qj3 by Molmil
Receptor Sd-Amt1 (OFF-state)
分子名称: Ammonium transporter, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE
著者Andrade, S.L, Pflueger, T, Gschell, M.
登録日2023-09-12
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献How sensor Amt-like proteins integrate ammonium signals.
Sci Adv, 10, 2024
8QJ4
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BU of 8qj4 by Molmil
Receptor Sd-Amt1 (ON-state)
分子名称: AMMONIUM ION, Ammonium transporter, CHLORIDE ION
著者Andrade, S.L, Pflueger, T, Gschell, M.
登録日2023-09-12
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献How sensor Amt-like proteins integrate ammonium signals.
Sci Adv, 10, 2024
3LPI
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BU of 3lpi by Molmil
Structure of BACE Bound to SCH745132
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2010-02-05
公開日2010-04-14
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3U3S
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BU of 3u3s by Molmil
The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6)
分子名称: Tumor necrosis factor receptor superfamily member 21
著者Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J.
登録日2011-10-06
公開日2012-05-02
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS.
Acta Crystallogr.,Sect.D, 68, 2012
3U3P
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BU of 3u3p by Molmil
The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6)
分子名称: Tumor necrosis factor receptor superfamily member 21
著者Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J.
登録日2011-10-06
公開日2012-05-02
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS
Acta Crystallogr.,Sect.D, 68, 2012
3CE3
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BU of 3ce3 by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with a Pyrrolopyridinepyridone based inhibitor
分子名称: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Hepatocyte growth factor receptor
著者Sack, J.
登録日2008-02-28
公開日2008-08-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of pyrrolopyridine-pyridone based inhibitors of Met kinase: synthesis, X-ray crystallographic analysis, and biological activities.
J.Med.Chem., 51, 2008
7SSM
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BU of 7ssm by Molmil
Crystal structure of human STING R232 in complex with compound 11
分子名称: 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein
著者Sack, J.S, Critton, D.A.
登録日2021-11-11
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization.
J.Med.Chem., 65, 2022
7YRD
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BU of 7yrd by Molmil
histone methyltransferase
分子名称: DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ...
著者Li, H, Wang, W.Y.
登録日2022-08-09
公開日2023-08-16
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1.
Mol.Cell, 83, 2023
8W6P
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BU of 8w6p by Molmil
Crystal structure of dimeric murine SMPDL3A
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, Acid sphingomyelinase-like phosphodiesterase 3a, ...
著者Zhang, C, Liu, P, Fan, S, Hou, Y.
登録日2023-08-29
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献SMPDL3A is a cGAMP-degrading enzyme induced by LXR-mediated lipid metabolism to restrict cGAS-STING DNA sensing.
Immunity, 56, 2023
8W6R
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BU of 8w6r by Molmil
murine SMPDL3A bound to sulfate
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, Acid sphingomyelinase-like phosphodiesterase 3a, ...
著者Zhang, C, Liu, P, Fan, S.
登録日2023-08-29
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献SMPDL3A is a cGAMP-degrading enzyme induced by LXR-mediated lipid metabolism to restrict cGAS-STING DNA sensing.
Immunity, 56, 2023
4XHK
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BU of 4xhk by Molmil
PIM1 kinase in complex with Compound 1s
分子名称: 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1
著者Marcotte, D.J, Silvian, L.F.
登録日2015-01-05
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design of low-nanomolar PIM kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8IWE
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BU of 8iwe by Molmil
Cryo-EM structure of the SPE-mTAAR9 complex
分子名称: SPERMIDINE, Trace amine-associated receptor 9
著者Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
登録日2023-03-29
公開日2023-05-31
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8IW1
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BU of 8iw1 by Molmil
Cryo-EM structure of the PEA-bound mTAAR9-Golf complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1,Guanine nucleotide-binding protein G(olf) subunit alpha, ...
著者Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
登録日2023-03-29
公開日2023-05-31
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8IW4
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BU of 8iw4 by Molmil
Cryo-EM structure of the SPE-bound mTAAR9-Gs complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
登録日2023-03-29
公開日2023-05-31
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8ITF
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BU of 8itf by Molmil
Cryo-EM structure of the DMCHA-bound mTAAR9-Gs complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
登録日2023-03-22
公開日2023-05-31
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8IW7
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BU of 8iw7 by Molmil
Cryo-EM structure of the PEA-bound mTAAR9-Gs complex
分子名称: 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
登録日2023-03-29
公開日2023-05-31
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8IW9
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BU of 8iw9 by Molmil
Cryo-EM structure of the CAD-bound mTAAR9-Gs complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
登録日2023-03-29
公開日2023-05-31
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8IWM
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BU of 8iwm by Molmil
Cryo-EM structure of the PEA-bound mTAAR9 complex
分子名称: 2-PHENYLETHYLAMINE, Trace amine-associated receptor 9
著者Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
登録日2023-03-30
公開日2023-05-31
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
6E6J
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BU of 6e6j by Molmil
BRD2_Bromodomain2 complex with inhibitor 744
分子名称: Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
著者Longenecker, K.L, Park, C.H, Bigelow, L.
登録日2018-07-25
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
4MX9
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CDPK1 from Neospora caninum in complex with inhibitor UW1294
分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related
著者Merritt, E.A.
登録日2013-09-26
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014

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