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6KA6
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BU of 6ka6 by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 1
Descriptor: (3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, GLYCEROL, LYSINE, ...
Authors:Zhou, J, Fang, P.
Deposit date:2019-06-21
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
6KCN
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BU of 6kcn by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 4
Descriptor: 3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one, GLYCEROL, LYSINE, ...
Authors:Zhou, J, Fang, P.
Deposit date:2019-06-28
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
6KCT
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BU of 6kct by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 5
Descriptor: 3-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one, LYSINE, Lysine--tRNA ligase
Authors:Zhou, J, Fang, P.
Deposit date:2019-06-29
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
6KBF
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BU of 6kbf by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 3
Descriptor: (3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{H}-isoquinolin-1-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Zhou, J, Fang, P.
Deposit date:2019-06-24
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
6LNU
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BU of 6lnu by Molmil
Cryo-EM structure of immature Zika virus
Descriptor: Genome polyprotein
Authors:Tan, T.Y, Fibriansah, G, Kostyuchenko, V.A, Ng, T.S, Lim, X.X, Lim, X.N, Shi, J, Morais, M.C, Corti, D, Lok, S.M.
Deposit date:2020-01-02
Release date:2020-02-26
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Capsid protein structure in Zika virus reveals the flavivirus assembly process.
Nat Commun, 11, 2020
7D7L
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BU of 7d7l by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155
Descriptor: 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione, CAFFEINE, GLYCEROL, ...
Authors:Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
Deposit date:2020-10-04
Release date:2021-04-21
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
7D7K
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BU of 7d7k by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in apo form
Descriptor: 1,2-ETHANEDIOL, CAFFEINE, Non-structural protein 3, ...
Authors:Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
Deposit date:2020-10-04
Release date:2021-04-21
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
6KAB
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BU of 6kab by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 2
Descriptor: (3~{S})-3-(cyclohexylmethyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase
Authors:Zhou, J, Fang, P.
Deposit date:2019-06-21
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.892 Å)
Cite:Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
6LNT
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BU of 6lnt by Molmil
Cryo-EM structure of immature Zika virus in complex with human antibody DV62.5 Fab
Descriptor: Envelope protein, Fab DV62.5 heavy-chain variable region, Fab DV62.5 light-chain variable region, ...
Authors:Tan, T.Y, Fibriansah, G, Kostyuchenko, V.A, Ng, T.S, Lim, X.X, Lim, X.N, Shi, J, Morais, M.C, Corti, D, Lok, S.M.
Deposit date:2020-01-02
Release date:2020-02-26
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Capsid protein structure in Zika virus reveals the flavivirus assembly process.
Nat Commun, 11, 2020
6K0J
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BU of 6k0j by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor
Descriptor: 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Tiantian, W, Xiao, J.
Deposit date:2019-05-06
Release date:2019-11-20
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:Inhibition of dual-specificity tyrosine phosphorylation-regulated kinase 2 perturbs 26S proteasome-addicted neoplastic progression.
Proc.Natl.Acad.Sci.USA, 116, 2019
6LMS
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BU of 6lms by Molmil
Solution NMR structure cold shock domain of YB1 from Homo sapiens
Descriptor: Y-box-binding protein 1
Authors:Li, S, Zhang, J, Yang, Y.
Deposit date:2019-12-26
Release date:2020-07-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of DNA binding to human YB-1 cold shock domain regulated by phosphorylation.
Nucleic Acids Res., 48, 2020
8P6H
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BU of 8p6h by Molmil
Bovine naive ultralong antibody AbBLV5B8* collected at 100K
Descriptor: Antibody BLV5B8* heavy chain, Antibody BLV5B8* light chain
Authors:Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J.
Deposit date:2023-05-26
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:The impact of chain-exchange on bovine ultralong immunoglobulins.
Acta Crystallographica Section F, 2023
6JYT
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BU of 6jyt by Molmil
Delicate structural coordination of the Severe Acute Respiratory Syndrome coronavirus Nsp13 upon ATP hydrolysis
Descriptor: Helicase, ZINC ION
Authors:Yan, L, Jia, Z.
Deposit date:2019-04-28
Release date:2019-09-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Delicate structural coordination of the Severe Acute Respiratory Syndrome coronavirus Nsp13 upon ATP hydrolysis.
Nucleic Acids Res., 47, 2019
7XIV
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BU of 7xiv by Molmil
Structural insight into the interactions between Lloviu virus VP30 and nucleoprotein
Descriptor: Nucleocapsid protein,Minor nucleoprotein VP30
Authors:Dong, S.S, Qin, X.C, Sun, W.Y, Luan, F.C, Wang, J.J, Ma, L, Li, X.X, Yang, G.X, Hao, C.Y.
Deposit date:2022-04-14
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Structural insights into the interactions between lloviu virus VP30 and nucleoprotein.
Biochem.Biophys.Res.Commun., 616, 2022
6LNM
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BU of 6lnm by Molmil
Crystal structure of CASK-CaMK in complex with Mint1-CID
Descriptor: Amyloid-beta A4 precursor protein-binding family A member 1, Peripheral plasma membrane protein CASK
Authors:Cai, Q, Zhang, M.
Deposit date:2019-12-31
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for the High-Affinity Interaction between CASK and Mint1.
Structure, 28, 2020
6LBH
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BU of 6lbh by Molmil
Cryo-EM structure of the MgtE Mg2+ channel under Mg2+-free conditions
Descriptor: Fab heavy chain, Fab light chain, Magnesium transporter MgtE
Authors:Hattori, M, Jin, F.
Deposit date:2019-11-14
Release date:2021-04-14
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The structure of MgtE in the absence of magnesium provides new insights into channel gating.
Plos Biol., 19, 2021
4U01
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BU of 4u01 by Molmil
HCV NS3/4A serine protease in complex with 6570
Descriptor: (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide, CHLORIDE ION, NS4A protein, ...
Authors:Parsy, C.C, Alexandre, F.-R, Brandt, G, Caillet, C, Chaves, D, Derock, M, Gloux, D, Griffon, Y, Lallos, L.B, Leroy, F, Liuzzi, M, Loi, A.-G, Mayes, B, Moulat, L, Moussa, A, Chiara, M, Roques, V, Rosinovsky, E, Seifer, M, Stewart, A, Wang, J, Standring, D, Surleraux, D.
Deposit date:2014-07-11
Release date:2015-07-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320.
Bioorg.Med.Chem.Lett., 25, 2015
7Y6D
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BU of 7y6d by Molmil
Cryo-EM structure of SARS-CoV-2 Delta variant spike proteins on intact virions: 3 Closed RBD
Descriptor: 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
Authors:Xu, J, Song, Y, Li, S.
Deposit date:2022-06-20
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (4.39 Å)
Cite:In situ architecture and membrane fusion of SARS-CoV-2 Delta variant.
Proc.Natl.Acad.Sci.USA, 120, 2023
5YEU
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BU of 5yeu by Molmil
Structural and mechanistic analyses reveal a unique Cas4-like protein in the mimivirus virophage resistance element system
Descriptor: MAGNESIUM ION, Uncharacterized protein R354
Authors:Dou, C, Yu, M.J, Gu, Y.J, Cheng, W.
Deposit date:2017-09-19
Release date:2018-07-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Structural and Mechanistic Analyses Reveal a Unique Cas4-like Protein in the Mimivirus Virophage Resistance Element System.
Iscience, 3, 2018
5YSW
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BU of 5ysw by Molmil
Crystal Structure Analysis of Rif16 in complex with R-L
Descriptor: (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y.
Deposit date:2017-11-15
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Deciphering the late steps of rifamycin biosynthesis.
Nat Commun, 9, 2018
5YET
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BU of 5yet by Molmil
Structure of R354_WT
Descriptor: Uncharacterized protein R354
Authors:Dou, C, Yu, M.J, Gu, Y.J, Cheng, W.
Deposit date:2017-09-19
Release date:2018-06-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.806 Å)
Cite:Structural and Mechanistic Analyses Reveal a Unique Cas4-like Protein in the Mimivirus Virophage Resistance Element System.
Iscience, 3, 2018
5Y4Z
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BU of 5y4z by Molmil
Crystal structure of the Zika virus NS3 helicase complex with AMPPNP
Descriptor: MANGANESE (II) ION, NS3 helicase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Li, L.
Deposit date:2017-08-06
Release date:2017-08-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural view of the helicase reveals that Zika virus uses a conserved mechanism for unwinding RNA
Acta Crystallogr.,Sect.F, 74, 2018
5YSM
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BU of 5ysm by Molmil
Crystal Structure Analysis of Rif16
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y.
Deposit date:2017-11-14
Release date:2018-07-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Deciphering the late steps of rifamycin biosynthesis.
Nat Commun, 9, 2018
7WKS
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BU of 7wks by Molmil
Apo state of AtPIN3
Descriptor: Auxin efflux carrier component 3
Authors:Su, N.
Deposit date:2022-01-11
Release date:2022-08-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures and mechanisms of the Arabidopsis auxin transporter PIN3.
Nature, 609, 2022
7WKW
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BU of 7wkw by Molmil
NPA bound state of AtPIN3
Descriptor: 2-(naphthalen-1-ylcarbamoyl)benzoic acid, Auxin efflux carrier component 3
Authors:Su, N.
Deposit date:2022-01-11
Release date:2022-08-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:Structures and mechanisms of the Arabidopsis auxin transporter PIN3.
Nature, 609, 2022

223532

数据于2024-08-07公开中

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