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2RFB
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BU of 2rfb by Molmil
Crystal Structure of a Cytochrome P450 from the Thermoacidophilic Archaeon Picrophilus Torridus
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Ho, W.W, Li, H, Poulos, T.L, Nishida, C.R, Ortiz de Montellano, P.R.
登録日2007-09-28
公開日2008-01-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure and Properties of CYP231A2 from the Thermoacidophilic Archaeon Picrophilus torridus.
Biochemistry, 47, 2008
8HR9
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BU of 8hr9 by Molmil
Structure of tetradecameric RdrA ring
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Archaeal ATPase
著者Gao, Y.
登録日2022-12-15
公開日2023-02-01
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Molecular basis of RADAR anti-phage supramolecular assemblies.
Cell, 186, 2023
5SRI
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BU of 5sri by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5278734565 - pyrimido-indole core only
分子名称: 7-fluoro-9H-pyrimido[4,5-b]indol-4-amine, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SP2
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BU of 5sp2 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000579359572 - (R) and (S) isomers
分子名称: Non-structural protein 3, [(2R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid, [(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4WD9
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BU of 4wd9 by Molmil
Crystal structure of tRNA-dependent lantibiotic dehydratase NisB in complex with NisA leader peptide
分子名称: Nisin biosynthesis protein NisB
著者Hao, Y, Nair, S.K.
登録日2014-09-08
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and mechanism of the tRNA-dependent lantibiotic dehydratase NisB.
Nature, 517, 2015
8H3X
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BU of 8h3x by Molmil
Bacteroide Fragilis Toxin in complex with nanobody 282
分子名称: Fragilysin, ZINC ION, nanobody 282
著者Wen, Y, Guo, Y.
登録日2022-10-09
公開日2023-02-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Screening and epitope characterization of diagnostic nanobody against total and activated Bacteroides fragilis toxin.
Front Immunol, 14, 2023
4WEA
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BU of 4wea by Molmil
Structure and receptor binding prefereneces of recombinant human A(H3N2) virus hemagglutinins
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, Hemagglutinin, ...
著者Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Villanueva, J.M, Stevens, J.
登録日2014-09-09
公開日2015-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and receptor binding preferences of recombinant human A(H3N2) virus hemagglutinins.
Virology, 477C, 2015
5SP3
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BU of 5sp3 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000450476923 - (S,R) isomer
分子名称: Non-structural protein 3, [(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H8R
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BU of 8h8r by Molmil
Bovine Heart Cytochrome c Oxidase in the Calcium-bound Fully Oxidized State
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, 1,2-ETHANEDIOL, ...
著者Muramoto, K, Shinzawa-Itoh, K.
登録日2022-10-24
公開日2023-02-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Calcium-bound structure of bovine cytochrome c oxidase.
Biochim Biophys Acta Bioenerg, 1864, 2023
5SRJ
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BU of 5srj by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5265428226
分子名称: 3-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4UXR
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BU of 4uxr by Molmil
Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins
分子名称: ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C.
登録日2014-08-27
公開日2014-09-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
8HI2
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BU of 8hi2 by Molmil
Structure of EV71 VLP frozen at -183 degree embedded in crystalline ice
分子名称: Genome polyprotein, Genome polyprotein (Fragment)
著者Shi, H, Wu, C, Zhang, X.
登録日2022-11-18
公開日2023-02-01
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Addressing compressive deformation of proteins embedded in crystalline ice.
Structure, 31, 2023
2RGS
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BU of 2rgs by Molmil
FC-fragment of monoclonal antibody IGG2B from Mus musculus
分子名称: Ig gamma-2B heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Kolenko, P, Duskova, J, Skalova, T, Dohnalek, J, Hasek, J.
登録日2007-10-05
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献New insights into intra- and intermolecular interactions of immunoglobulins: crystal structure of mouse IgG2b-Fc at 2.1-A resolution
Immunology, 126, 2008
4WEJ
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BU of 4wej by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam
分子名称: (3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3
著者Ferguson, A.D.
登録日2014-09-10
公開日2015-04-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.045 Å)
主引用文献SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
2RSO
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BU of 2rso by Molmil
Solution structure of the chromodomain of Swi6
分子名称: Chromatin-associated protein swi6
著者Shimojo, H, Nishimura, Y.
登録日2012-04-18
公開日2012-08-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Intrinsic nucleic Acid-binding activity of chp1 chromodomain is required for heterochromatic gene silencing
Mol.Cell, 47, 2012
5SRK
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BU of 5srk by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5373433775 - (R) isomer
分子名称: (2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)morpholine-2-carboxamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HRA
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BU of 8hra by Molmil
Structure of heptameric RdrA ring in RNA-loading state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Archaeal ATPase, RNA (5'-R(P*GP*UP*CP*CP*AP*GP*CP*GP*UP*CP*AP*UP*CP*GP*CP*UP*GP*GP*AP*C)-3')
著者Gao, Y.
登録日2022-12-15
公開日2023-02-01
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Molecular basis of RADAR anti-phage supramolecular assemblies.
Cell, 186, 2023
2ROT
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BU of 2rot by Molmil
Structure of chimeric variant of SH3 domain- SHH
分子名称: Spectrin alpha chain, brain
著者Kutyshenko, N.P, Prokhorov, D.A, Timchenko, M.A, Kudrevatykh, Y.A, Gushchina, L.V, Khristoforov, V.S, Filimonov, V.V.
登録日2008-04-10
公開日2009-04-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of the chimeric SH3 domains, SHH- and SHA-"Bergeracs".
Biochim.Biophys.Acta, 1794, 2009
4URP
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BU of 4urp by Molmil
The Crystal structure of Nitroreductase from Saccharomyces cerevisiae
分子名称: FATTY ACID REPRESSION MUTANT PROTEIN 2
著者Song, H.-N, Woo, E.-J, Bang, S.-Y, Jung, D.-G, Park, S.-G.
登録日2014-07-01
公開日2015-04-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.991 Å)
主引用文献Crystal Structure of the Fungal Nitroreductase Frm2 from Saccharomyces Cerevisiae.
Protein Sci., 24, 2015
8H9A
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BU of 8h9a by Molmil
Crystal structure of chemically modified E. coli ThrS catalytic domain 2
分子名称: N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION
著者Qiao, H, Xia, M, Wang, J, Fang, P.
登録日2022-10-25
公開日2023-02-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
5SRL
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BU of 5srl by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5352447655 - (R,R) isomer
分子名称: Non-structural protein 3, [(2R,6R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-(hydroxymethyl)morpholin-2-yl]acetic acid
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SP0
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BU of 5sp0 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000681764827
分子名称: 3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4V05
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BU of 4v05 by Molmil
FGFR1 in complex with AZD4547.
分子名称: 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, PFEIFFER SYNDROME), ...
著者Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A.
登録日2014-09-10
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
8H9D
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BU of 8h9d by Molmil
Crystal structure of Cas12a protein
分子名称: Cas12A, MAGNESIUM ION, RNA (5'-R(P*AP*AP*UP*UP*UP*CP*UP*AP*CP*UP*AP*AP*GP*UP*GP*UP*AP*GP*AP*UP*C)-3'), ...
著者Jianwei, L, Jobichen, C, Sivaraman, J.
登録日2022-10-25
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of apo Cas12a and its complex with crRNA and DNA reveal the dynamics of ternary complex formation and target DNA cleavage.
Plos Biol., 21, 2023
2RU7
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BU of 2ru7 by Molmil
Refined structure of RNA aptamer in complex with the partial binding peptide of prion protein
分子名称: P16 peptide from Major prion protein, RNA_(5'-R(*GP*GP*AP*GP*GP*AP*GP*GP*AP*GP*GP*A)-3')
著者Hayashi, T, Oshima, H, Mashima, T, Nagata, T, Katahira, M, Kinoshita, M.
登録日2013-12-24
公開日2014-05-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Binding of an RNA aptamer and a partial peptide of a prion protein: crucial importance of water entropy in molecular recognition.
Nucleic Acids Res., 42, 2014

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