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7END
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BU of 7end by Molmil
Crystal structure of SARS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: Replicase polyprotein 1a, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN9
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BU of 7en9 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02
分子名称: 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN8
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BU of 7en8 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
2XFB
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BU of 2xfb by Molmil
CHIKUNGUNYA E1 E2 ENVELOPE GLYCOPROTEINS FITTED IN SINDBIS VIRUS cryo- EM MAP
分子名称: E1 ENVELOPE GLYCOPROTEIN, E2 ENVELOPE GLYCOPROTEIN
著者Voss, J.E, Vaney, M.C, Duquerroy, S, Rey, F.A.
登録日2010-05-21
公開日2010-11-24
最終更新日2019-10-23
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Glycoprotein Organization of Chikungunya Virus Particles Revealed by X-Ray Crystallography
Nature, 468, 2010
7E6V
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BU of 7e6v by Molmil
The crystal structure of foot-and-mouth disease virus(FMDV) 2C protein 97-318aa
分子名称: ACETATE ION, Protein 2C
著者Zhang, C, Wojdyla, J.A, Qin, B, Wang, M, Gao, X, Cui, S.
登録日2021-02-24
公開日2022-06-29
最終更新日2022-07-20
実験手法X-RAY DIFFRACTION (1.832 Å)
主引用文献An anti-picornaviral strategy based on the crystal structure of foot-and-mouth disease virus 2C protein.
Cell Rep, 40, 2022
7X1N
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BU of 7x1n by Molmil
Crystal structure of MEF2D-MRE complex
分子名称: DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*G)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), Myocyte enhancer factor 2D/deleted in azoospermia associated protein 1 fusion protein
著者Zhang, H, Zhang, M, Wang, Q.Q, Chen, Z, Chen, S.J, Meng, G.
登録日2022-02-24
公開日2022-05-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.315 Å)
主引用文献Functional, structural, and molecular characterizations of the leukemogenic driver MEF2D-HNRNPUL1 fusion.
Blood, 140, 2022
7CM9
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BU of 7cm9 by Molmil
DMSP lyase DddX
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DMSP lyase, SULFATE ION
著者Li, C.Y, Zhang, Y.Z.
登録日2020-07-25
公開日2021-05-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献A novel ATP dependent dimethylsulfoniopropionate lyase in bacteria that releases dimethyl sulfide and acryloyl-CoA.
Elife, 10, 2021
7C81
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BU of 7c81 by Molmil
E30 F-particle in complex with 6C5
分子名称: Heavy chain, Light chain, SPHINGOSINE, ...
著者Wang, K, Zheng, B, Zhang, L, Cui, L, Su, X, Zhang, Q, Guo, Y, Zhu, L, Zhu, F, Rao, Z, Wang, X.
登録日2020-05-28
公開日2020-07-29
最終更新日2020-09-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B.
Nat Commun, 11, 2020
7DLY
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BU of 7dly by Molmil
Crystal structure of Arabidopsis ACS7 mutant in complex with PPG
分子名称: (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, 1-aminocyclopropane-1-carboxylate synthase 7
著者Hao, B, Zhang, Y, Li, X, Rao, Z.
登録日2020-11-30
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Sci Adv, 7, 2021
7DLW
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BU of 7dlw by Molmil
Crystal structure of Arabidopsis ACS7 in complex with PPG
分子名称: (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, 1-aminocyclopropane-1-carboxylate synthase 7, SULFATE ION
著者Hao, B, Zhang, Y, Li, X, Rao, Z.
登録日2020-11-30
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Sci Adv, 7, 2021
7C80
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BU of 7c80 by Molmil
E30 F-particle in complex with 4B10
分子名称: Heavy chain, Light chain, SPHINGOSINE, ...
著者Wang, K, Zheng, B, Zhang, L, Cui, L, Su, X, Zhang, Q, Guo, Y, Zhu, L, Zhu, F, Rao, Z, Wang, X.
登録日2020-05-28
公開日2020-07-29
最終更新日2020-09-16
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B.
Nat Commun, 11, 2020
7YG1
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BU of 7yg1 by Molmil
Cryo-EM structure of the C-terminal domain of the human sodium-chloride cotransporter
分子名称: Solute carrier family 12 member 3
著者Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q.
登録日2022-07-09
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
7Y6I
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BU of 7y6i by Molmil
Cryo-EM structure of human sodium-chloride cotransporter
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nan, J, Yang, X, Shan, Z, Yuan, Y, Zhang, Y.Q.
登録日2022-06-20
公開日2022-11-23
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
7YG0
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BU of 7yg0 by Molmil
Cryo-EM structure of human sodium-chloride cotransporter
分子名称: Solute carrier family 12 member 3
著者Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q.
登録日2022-07-09
公開日2022-11-23
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
7CLZ
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BU of 7clz by Molmil
Crystal structure of Alp1U W187F/Y247F in complex with fluostatin C
分子名称: BORIC ACID, D-MALATE, Fluostatin C, ...
著者Zhang, L, De, B.C.
登録日2020-07-22
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.10001016 Å)
主引用文献Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U.
J.Biol.Chem., 295, 2020
7Y56
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BU of 7y56 by Molmil
Crystal structure of NS1 nuclease domain in P41212 space group
分子名称: GLYCEROL, NS1 protein
著者Zhang, X.Y, Gan, J.H.
登録日2022-06-16
公開日2023-07-05
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Structures and implications of the nuclease domain of human parvovirus B19 NS1 protein.
Comput Struct Biotechnol J, 20, 2022
7Y57
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BU of 7y57 by Molmil
Crystal structure of NS1 nuclease domain in P21 space group
分子名称: NS1 protein, PHOSPHATE ION
著者Zhang, X.Y, Gan, J.H.
登録日2022-06-16
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.183 Å)
主引用文献Structures and implications of the nuclease domain of human parvovirus B19 NS1 protein.
Comput Struct Biotechnol J, 20, 2022
3TCM
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BU of 3tcm by Molmil
Crystal Structure of Alanine Aminotransferase from Hordeum vulgare
分子名称: Alanine aminotransferase 2, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
著者Rydel, T.J, Sturman, E.J, Halls, C, Chen, S, Zeng, J, Evdokimov, A, Duff, S.M.G.
登録日2011-08-09
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献The Enzymology of alanine aminotransferase (AlaAT) isoforms from Hordeum vulgare and other organisms, and the HvAlaAT crystal structure.
Arch.Biochem.Biophys., 528, 2012
3UQP
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BU of 3uqp by Molmil
Crystal structure of Bace1 with its inhibitor
分子名称: Beta-secretase 1, METHYL (2R)-1-[(6S,9S,12S,13S,17S,20S,23R)-9-(3-AMINO-3-OXOPROPYL)-12,23-DIBENZYL-13-HYDROXY-2,2,8,20,22-PENTAMETHYL-17-(2-METHYLPROPYL)-4,7,10,15,18,21,24-HEPTAOXO-6-(PROPAN-2-YL)-3-OXA-5,8,11,16,19,22-HEXAAZATETRACOSAN-24-YL]PYRROLIDINE-2-CARBOXYLATE, SULFATE ION
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2011-11-21
公開日2012-11-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
3UYW
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BU of 3uyw by Molmil
Crystal structures of globular head of 2009 pandemic H1N1 hemagglutinin
分子名称: 2-AMINOETHANESULFONIC ACID, Hemagglutinin
著者Xuan, C.L, Shi, Y, Qi, J.X, Xiao, H.X, Gao, G.F.
登録日2011-12-06
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Structural vaccinology: structure-based design of influenza A virus hemagglutinin subtype-specific subunit vaccines
Protein Cell, 2, 2011
3UQR
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BU of 3uqr by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-15-(3-[METHYL(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-8-(2-METHYLPROPYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2011-11-21
公開日2012-11-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.056 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
7YP1
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BU of 7yp1 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement)
分子名称: 10E4 heavy chain, 10E4 light chain, EBV gH, ...
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YOY
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BU of 7yoy by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement)
分子名称: 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ...
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YP2
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Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement)
分子名称: 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023

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