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6LMH
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Structure of an ASFV-derived histone-like protein pA104R
分子名称: pA104R
著者Wang, H, Qi, J, Chai, Y, Gao, F.
登録日2019-12-25
公開日2020-05-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.805 Å)
主引用文献The structural basis of African swine fever virus pA104R binding to DNA and its inhibition by stilbene derivatives.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P7Z
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BU of 6p7z by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Bonnette, W.G.
登録日2019-06-06
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
8GRR
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BU of 8grr by Molmil
Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W125
分子名称: A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ...
著者He, Y, Kun, L.
登録日2022-09-02
公開日2023-10-11
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies.
Plos Pathog., 19, 2023
8WMF
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BU of 8wmf by Molmil
Structure of the SARS-CoV-2 EG.5.1 spike glycoprotein (closed-1 state)
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, Spike glycoprotein
著者Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K.
登録日2023-10-03
公開日2024-04-24
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant.
Microbiol Immunol, 68, 2024
8WMD
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BU of 8wmd by Molmil
Structure of the SARS-CoV-2 EG.5.1 spike glycoprotein (closed-2 state)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K.
登録日2023-10-03
公開日2024-04-24
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant.
Microbiol Immunol, 68, 2024
5UKY
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BU of 5uky by Molmil
DHp domain of PhoR of M. tuberculosis - native data
分子名称: 1,2-ETHANEDIOL, ATP-binding protein, DI(HYDROXYETHYL)ETHER, ...
著者Wang, S.
登録日2017-01-23
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Asymmetric Structure of the Dimerization Domain of PhoR, a Sensor Kinase Important for the Virulence of Mycobacterium tuberculosis.
ACS Omega, 2, 2017
5GXO
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BU of 5gxo by Molmil
Discovery of a compound that activates SIRT3 to deacetylate Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
著者Lu, J, Li, J, Wu, M, Wang, J, Xia, Q.
登録日2016-09-19
公開日2017-08-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A small molecule activator of SIRT3 promotes deacetylation and activation of manganese superoxide dismutase.
Free Radic. Biol. Med., 112, 2017
4CFV
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BU of 4cfv by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylphenol, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
5GV2
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BU of 5gv2 by Molmil
Crystal structure of Arginine-bound CASTOR1 from Homo sapiens
分子名称: ARGININE, GATS-like protein 3, MAGNESIUM ION
著者Gai, Z.C, Wu, G.
登録日2016-09-01
公開日2017-09-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural mechanism for the arginine sensing and regulation of CASTOR1 in the mTORC1 signaling pathway
Cell Discov, 2, 2016
4CFW
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BU of 4cfw by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4CFM
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BU of 4cfm by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-18
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4CFU
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BU of 4cfu by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4O1V
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BU of 4o1v by Molmil
SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, Speckle-type POZ protein
著者Calabrese, M.F, Watson, E.R, Schulman, B.A.
登録日2013-12-16
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer.
Cancer Cell, 25, 2014
8XLM
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BU of 8xlm by Molmil
Structure of the SARS-CoV-2 EG.5.1 spike glycoprotein in complex with ACE2 (1-up state)
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, Processed angiotensin-converting enzyme 2, ...
著者Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K.
登録日2023-12-26
公開日2024-05-01
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant.
Microbiol Immunol, 68, 2024
8XLN
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BU of 8xln by Molmil
Structure of the SARS-CoV-2 EG.5.1 spike RBD in complex with ACE2
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, Processed angiotensin-converting enzyme 2, ...
著者Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K.
登録日2023-12-26
公開日2024-05-01
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant.
Microbiol Immunol, 68, 2024
4CFN
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BU of 4cfn by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine, CYCLIN-A2, ...
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
7WSE
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BU of 7wse by Molmil
Cryo-EM structure of SARS-CoV-2 spike receptor-binding domain complexed with its receptor minke whale ACE2
分子名称: Angiotensin-converting enzyme, Spike protein S1, ZINC ION
著者Li, S, Han, P.
登録日2022-01-29
公開日2022-10-19
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Cross-species recognition and molecular basis of SARS-CoV-2 and SARS-CoV binding to ACE2s of marine animals.
Natl Sci Rev, 9, 2022
7WSF
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BU of 7wsf by Molmil
Cryo-EM structure of SARS-CoV spike receptor-binding domain in complex with minke whale ACE2
分子名称: Angiotensin-converting enzyme, Spike protein S1, ZINC ION
著者Li, S, Han, P, Qi, J.
登録日2022-01-29
公開日2022-10-19
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Cross-species recognition and molecular basis of SARS-CoV-2 and SARS-CoV binding to ACE2s of marine animals.
Natl Sci Rev, 9, 2022
5UKV
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BU of 5ukv by Molmil
DHp domain of PhoR of M. tuberculosis - SeMet
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ATP-binding protein, ...
著者Wang, S.
登録日2017-01-23
公開日2017-12-06
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Asymmetric Structure of the Dimerization Domain of PhoR, a Sensor Kinase Important for the Virulence of Mycobacterium tuberculosis.
ACS Omega, 2, 2017
7WSH
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BU of 7wsh by Molmil
Cryo-EM structure of SARS-CoV-2 spike receptor-binding domain in complex with sea lion ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
著者Li, S, Han, P, Qi, J.
登録日2022-01-29
公開日2022-11-09
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Cross-species recognition and molecular basis of SARS-CoV-2 and SARS-CoV binding to ACE2s of marine animals.
Natl Sci Rev, 9, 2022
7WSG
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BU of 7wsg by Molmil
Cryo-EM structure of SARS-CoV spike receptor-binding domain in complex with sea lion ACE2
分子名称: Angiotensin-converting enzyme, Spike protein S1, ZINC ION
著者Li, S, Han, P, Qi, J.
登録日2022-01-29
公開日2022-11-09
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Cross-species recognition and molecular basis of SARS-CoV-2 and SARS-CoV binding to ACE2s of marine animals.
Natl Sci Rev, 9, 2022
2OA5
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BU of 2oa5 by Molmil
Crystal structure of ORF52 from Murid herpesvirus (MUHV-4) (Murine gammaherpesvirus 68) at 2.1 A resolution. Northeast Structural Genomics Consortium target MHR28B.
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Hypothetical protein BQLF2
著者Benach, J, Chen, Y, Seetharaman, J, Janjua, H, Xiao, R, Cunningham, K, Ma, L.-C, Ho, C.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-12-14
公開日2007-01-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and functional studies of the abundant tegument protein ORF52 from murine gammaherpesvirus 68.
J.Biol.Chem., 282, 2007
8YOY
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BU of 8yoy by Molmil
Structure of HKU1A RBD with TMPRSS2
分子名称: Spike protein S1, Transmembrane protease serine 2
著者Gao, X, Cui, S, Ding, W, Shang, K, Zhu, H, Zhu, K.
登録日2024-03-14
公開日2024-08-28
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structural basis for the interaction between human coronavirus HKU1 spike receptor binding domain and its receptor TMPRSS2.
Cell Discov, 10, 2024
5ZND
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BU of 5znd by Molmil
8-mer nanotube derived from 24-mer rHuHF nanocage
分子名称: Ferritin heavy chain
著者Wang, W.M, Wang, L.L, Zang, J.C, Chen, H, Zhao, G.H, Wang, H.F.
登録日2018-04-09
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Selective Elimination of the Key Subunit Interfaces Facilitates Conversion of Native 24-mer Protein Nanocage into 8-mer Nanorings.
J. Am. Chem. Soc., 140, 2018
5VZR
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BU of 5vzr by Molmil
Crystal Structure of MERS-CoV neutralizing antibody G4 Fab
分子名称: G4 antibody heavy chain, G4 antibody light chain, GLYCEROL
著者Wang, N, Wrapp, D, McLellan, J.S.
登録日2017-05-29
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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