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8G9K
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BU of 8g9k by Molmil
Geometrically programmable nanomaterial construction using regularized protein building blocks
分子名称: THR2
著者Bera, A.K, Huddy, T, Baker, D, Kang, A.
登録日2023-02-21
公開日2024-03-13
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
8GEL
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BU of 8gel by Molmil
Cryo-EM structure of synthetic tetrameric building block sC4
分子名称: sC4
著者Redler, R.L, Huddy, T.F, Hsia, Y, Baker, D, Ekiert, D, Bhabha, G.
登録日2023-03-07
公開日2024-03-13
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
8HM1
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BU of 8hm1 by Molmil
crystal structure of human ubiquitin-like protein from Bacteroides fragilis
分子名称: 1,2-ETHANEDIOL, Putative ubiquitin
著者Tong, M, Chen, Z, Gao, X.
登録日2022-12-02
公開日2023-11-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
8HM2
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BU of 8hm2 by Molmil
Crystal structure of human ubiquitin-like protein from bacteroides fragilis c terminal cysteine mutant
分子名称: Putative ubiquitin
著者Tong, M, Chen, Z, Gao, X.
登録日2022-12-02
公開日2023-11-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
4ZXT
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BU of 4zxt by Molmil
Complex of ERK2 with catechol
分子名称: AMMONIUM ION, CATECHOL, Mitogen-activated protein kinase 1, ...
著者Kurinov, I, Malakhova, M.
登録日2015-05-20
公開日2016-05-25
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A natural small molecule, catechol, induces c-Myc degradation by directly targeting ERK2 in lung cancer.
Oncotarget, 7, 2016
5D7G
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BU of 5d7g by Molmil
Structure of human ATG5 E122D-ATG16L1 complex at 3.0 Angstroms
分子名称: Autophagy protein 5, Autophagy-related protein 16-1
著者Qiu, Y, Schulman, B.A.
登録日2015-08-13
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mutation in ATG5 reduces autophagy and leads to ataxia with developmental delay.
Elife, 5, 2016
221L
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BU of 221l by Molmil
THE ENERGETIC COST AND THE STRUCTURAL CONSEQUENCES OF BURYING A HYDROXYL GROUP WITHIN THE CORE OF A PROTEIN DETERMINED FROM ALA TO SER AND VAL TO THR SUBSTITUTIONS IN T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
著者Blaber, M, Matthews, B.W.
登録日1993-05-28
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Energetic cost and structural consequences of burying a hydroxyl group within the core of a protein determined from Ala-->Ser and Val-->Thr substitutions in T4 lysozyme.
Biochemistry, 32, 1993
6K41
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BU of 6k41 by Molmil
cryo-EM structure of alpha2BAR-GoA complex
分子名称: 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K.
登録日2019-05-23
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine.
Nat.Chem.Biol., 16, 2020
6K42
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BU of 6k42 by Molmil
cryo-EM structure of alpha2BAR-Gi1 complex
分子名称: 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K.
登録日2019-05-23
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine.
Nat.Chem.Biol., 16, 2020
7WP6
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BU of 7wp6 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK in complex with three neutralizing antibodies
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, 36H6 heavy chain, ...
著者Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
登録日2022-01-23
公開日2023-03-01
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.81 Å)
主引用文献Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
7WP8
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BU of 7wp8 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK1628x in complex with three neutralizing antibodies
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, 2B4 heavy chain, ...
著者Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
登録日2022-01-23
公開日2023-03-08
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
5UJ2
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BU of 5uj2 by Molmil
Crystal structure of HCV NS5B genotype 2A JFH-1 isolate with S15G E86Q E87Q C223H V321I mutations and Delta8 neta hairpoin loop deletion in complex with GS-639476 (diphsohate version of GS-9813), Mn2+ and symmetrical primer template 5'-AUAAAUUU
分子名称: (1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol, CHLORIDE ION, Genome polyprotein, ...
著者Edwards, T.E, Fox III, D, Appleby, T.C, Murakami, E, Rey, A, McGrath, M.E.
登録日2017-01-16
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of a 2'-fluoro-2'-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties.
Bioorg. Med. Chem. Lett., 27, 2017
6KNK
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BU of 6knk by Molmil
Crystal structure of SbnH in complex with citryl-diaminoethane
分子名称: (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID, (2~{S})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid, PHOSPHATE ION, ...
著者Tang, J, Ju, Y, Zhou, H.
登録日2019-08-05
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
6KNI
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BU of 6kni by Molmil
Crystal structure of SbnH in complex with the cofactor PLP, a PLP-dependent decarboxylase in Staphyloferrin B biothesynthesis
分子名称: PYRIDOXAL-5'-PHOSPHATE, Probable diaminopimelate decarboxylase protein
著者Tang, J, Ju, Y, Zhou, H.
登録日2019-08-05
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
6KNH
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BU of 6knh by Molmil
Crystal structure of SbnH in complex with citrate, a PLP-dependent decarboxylase in Staphyloferrin B biothesynthesis
分子名称: CITRIC ACID, PHOSPHATE ION, Probable diaminopimelate decarboxylase protein
著者Tang, J, Ju, Y, Zhou, H.
登録日2019-08-05
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
6L2P
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BU of 6l2p by Molmil
Threonyl-tRNA synthetase from Salmonella enterica in the apo form
分子名称: Threonine--tRNA ligase, ZINC ION
著者Guo, J, Chen, B, Zhou, H.
登録日2019-10-05
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping.
Eur.J.Med.Chem., 187, 2019
6L2Q
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BU of 6l2q by Molmil
Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor
分子名称: (2S,3R)-2-azanyl-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ...
著者Guo, J, Chen, B, Zhou, H.
登録日2019-10-05
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping.
Eur.J.Med.Chem., 187, 2019
7WKH
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BU of 7wkh by Molmil
the grass carp IFNa
分子名称: Interferon
著者Zou, J, WANG, J, Wang, Z.
登録日2022-01-09
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural and Functional Analyses of Type I IFNa Shed Light Into Its Interaction With Multiple Receptors in Fish.
Front Immunol, 13, 2022
7WWL
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BU of 7wwl by Molmil
S protein of Delta variant in complex with ZWD12
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Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-13
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
7WWM
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BU of 7wwm by Molmil
S protein of Delta variant in complex with ZWC6
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Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-13
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
5Z9E
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BU of 5z9e by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Huang, X, Zhou, H.
登録日2018-02-02
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9N
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BU of 5z9n by Molmil
S.aureus GyrB ATPase domain in complex with 4,6-dichloro-2-(methylthio)pyrimidine
分子名称: 4,6-dichloro-2-(methylsulfanyl)pyrimidine, DNA gyrase subunit B, SULFATE ION
著者Huang, X, Zhou, H.
登録日2018-02-03
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
7WN0
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BU of 7wn0 by Molmil
Structure of PfENT1(Y190A) in complex with nanobody 19
分子名称: Equilibrative nucleoside/nucleobase transporter, nanobody19
著者Wang, C, Deng, D, Ren, R.B, Yu, L.Y.
登録日2022-01-17
公開日2023-02-01
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
7WN1
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Structure of PfNT1(Y190A) in complex with nanobody 48 and inosine
分子名称: Equilibrative nucleoside/nucleobase transporter, INOSINE, nanobody48
著者Wang, C, Deng, D, Ren, R.B, Yu, L.Y.
登録日2022-01-17
公開日2023-02-01
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
5Z9F
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BU of 5z9f by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
分子名称: 1H-benzimidazol-2-amine, 2-hydroxybenzonitrile, DNA gyrase subunit B, ...
著者Huang, X, Zhou, H.
登録日2018-02-03
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018

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