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8HRB
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BU of 8hrb by Molmil
Structure of tetradecameric RdrA ring in RNA-loading state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Archaeal ATPase, RNA (5'-R(*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 (3.78 Å)
主引用文献Molecular basis of RADAR anti-phage supramolecular assemblies.
Cell, 186, 2023
4UQX
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BU of 4uqx by Molmil
Coevolution of the ATPase ClpV, the TssB-TssC Sheath and the Accessory HsiE Protein Distinguishes Two Type VI Secretion Classes
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, HSIE1
著者Forster, A, Planamente, S, Manoli, E, Lossi, N.S, Freemont, P.S, Filloux, A.
登録日2014-06-25
公開日2014-10-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Coevolution of the ATPase Clpv, the Sheath Proteins Tssb and Tssc and the Accessory Protein Tagj/Hsie1 Distinguishes Type Vi Secretion Classes.
J.Biol.Chem., 289, 2014
4UT5
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BU of 4ut5 by Molmil
Crystal structure of the LecB lectin from Pseudomonas aeruginosa strain PA7 in complex with lewis a tetrasaccharide
分子名称: CALCIUM ION, LECB LECTIN, beta-D-galactopyranose, ...
著者Boukerb, A.M, Decor, A, Tabaroni, R, Varrot, A, Debentzmann, S, Vidal, S, Imberty, A, Cournoyer, B.
登録日2014-07-18
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Genomic Rearrangements and Functional Diversification of Leca and Lecb Lectin-Coding Regions Impacting the Efficacy of Glycomimetics Directed Against Pseudomonas Aeruginosa.
Front.Microbiol., 7, 2016
2TSB
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BU of 2tsb by Molmil
AZURIN MUTANT M121A-AZIDE
分子名称: AZIDE ION, AZURIN AZIDE, COPPER (II) ION
著者Tsai, L.-C, Bonander, N, Harata, K, Karlsson, B.G, Vanngard, T, Langer, V, Sjolin, L.
登録日1996-05-10
公開日1996-11-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mutant Met121Ala of Pseudomonas aeruginosa azurin and its azide derivative: crystal structures and spectral properties.
Acta Crystallogr.,Sect.D, 52, 1996
5SRE
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BU of 5sre by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562530 - (R) isomer
分子名称: (5R)-7-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-7-azaspiro[3.5]nonane-5-carboxylic acid, 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
8H1P
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BU of 8h1p by Molmil
Cryo-EM structure of the human RAD52 protein
分子名称: DNA repair protein RAD52 homolog
著者Kinoshita, C, Takizawa, Y, Saotome, M, Ogino, S, Kurumizaka, H, Kagawa, W.
登録日2022-10-03
公開日2023-02-08
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献The cryo-EM structure of full-length RAD52 protein contains an undecameric ring.
Febs Open Bio, 13, 2023
5SRF
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BU of 5srf by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4175156780 - (R) isomer
分子名称: (3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)(methyl)amino]-1lambda~6~-thiane-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
4UTS
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BU of 4uts by Molmil
Room temperature crystal structure of the fast switching M159T mutant of fluorescent protein Dronpa
分子名称: FLUORESCENT PROTEIN DRONPA
著者Kaucikas, M, Fitzpatrick, A, Bryan, E, Struve, A, Henning, R, Kosheleva, I, Srajer, V, van Thor, J.J.
登録日2014-07-22
公開日2015-06-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Room Temperature Crystal Structure of the Fast Switching M159T Mutant of the Fluorescent Protein Dronpa.
Proteins, 83, 2015
8HGO
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BU of 8hgo by Molmil
The EGF-bound EGFR/HER2 ectodomain complex
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, Epidermal growth factor, ...
著者Zhang, Z, Bai, X.
登録日2022-11-15
公開日2023-02-08
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Structure and dynamics of the EGFR/HER2 heterodimer.
Cell Discov, 9, 2023
5SOY
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BU of 5soy by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000222377450
分子名称: 4-methyl-5-{[(9H-purin-6-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one, 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
8HDR
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BU of 8hdr by Molmil
Cyanophage Pam3 neck
分子名称: Pam3 adaptor protein, Pam3 connector protein, Pam3 sheath protein, ...
著者Yang, F, Jiang, Y.L, Zhou, C.Z.
登録日2022-11-06
公開日2023-02-01
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Fine structure and assembly pattern of a minimal myophage Pam3.
Proc.Natl.Acad.Sci.USA, 120, 2023
4UYD
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BU of 4uyd by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-2-oxo-2,3- dihydro-1H-1,3-benzodiazole-5-carboxamide
分子名称: 1,2-ETHANEDIOL, 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, BROMODOMAIN-CONTAINING PROTEIN 4, ...
著者Chung, C, Bamborough, P, Demont, E.
登録日2014-08-30
公開日2014-09-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献1,3-Dimethyl Benzimidazolones are Potent, Selective Inhibitors of the Brpf1 Bromodomain.
Acs Med.Chem.Lett., 5, 2014
2REH
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BU of 2reh by Molmil
Mechanistic and Structural Analyses of the Roles of Arg409 and Asp402 in the Reaction of the Flavoprotein Nitroalkane Oxidase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Nitroalkane oxidase
著者Fitzpatrick, P.F, Bozinovski, D.M, Heroux, A, Shaw, P.G, Valley, M.P, Orville, A.M.
登録日2007-09-26
公開日2008-06-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanistic and structural analyses of the roles of Arg409 and Asp402 in the reaction of the flavoprotein nitroalkane oxidase.
Biochemistry, 46, 2007
2UBP
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BU of 2ubp by Molmil
STRUCTURE OF NATIVE UREASE FROM BACILLUS PASTEURII
分子名称: NICKEL (II) ION, PROTEIN (UREASE ALPHA SUBUNIT), PROTEIN (UREASE BETA SUBUNIT), ...
著者Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S.
登録日1998-11-04
公開日1999-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels.
Structure Fold.Des., 7, 1999
5SOZ
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BU of 5soz by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000827900828
分子名称: (1-azaspiro[4.5]decan-1-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone, 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
8H3Y
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BU of 8h3y by Molmil
Bacteroide Fragilis Toxin in complex with nanobody 327
分子名称: Fragilysin, Nanobody 327, ZINC ION
著者Wen, Y, Guo, Y.
登録日2022-10-09
公開日2023-02-08
最終更新日2023-03-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Screening and epitope characterization of diagnostic nanobody against total and activated Bacteroides fragilis toxin.
Front Immunol, 14, 2023
4UWT
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BU of 4uwt by Molmil
Hypocrea jecorina Cel7A E212Q mutant in complex with p-nitrophenyl cellobioside
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL7A, COBALT (II) ION, ...
著者Nutt, A, Momeni, M.H, Johansson, G, Stahlberg, J.
登録日2014-08-14
公開日2015-08-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 2022
2RT4
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BU of 2rt4 by Molmil
NMR Structure of designed protein, AF.2A1, (Ensembles)
分子名称: AF.2A1
著者Watanabe, H, Yamasaki, K, Honda, S.
登録日2013-04-18
公開日2014-01-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Tracing primordial protein evolution through structurally guided stepwise segment elongation.
J.Biol.Chem., 289, 2014
5SRG
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BU of 5srg by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5265428403
分子名称: 7-fluoro-N-methyl-N-[(pyridin-2-yl)methyl]-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
4UX9
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BU of 4ux9 by Molmil
Crystal structure of JNK1 bound to a MKK7 docking motif
分子名称: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 7, MITOGEN-ACTIVATED PROTEIN KINASE 8, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Kragelj, J, Palencia, A, Nanao, M.H, Maurin, D, Bouvignies, G, Blackledge, M, Ringkjobing-Jensen, M.
登録日2014-08-20
公開日2015-03-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure and Dynamics of the Mkk7-Jnk Signaling Complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
8HGP
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BU of 8hgp by Molmil
The EREG-bound EGFR/HER2 ectodomain complex
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, Epidermal growth factor receptor, ...
著者Zhang, Z, Bai, X.
登録日2022-11-15
公開日2023-02-08
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (4.53 Å)
主引用文献Structure and dynamics of the EGFR/HER2 heterodimer.
Cell Discov, 9, 2023
5SRH
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BU of 5srh by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5265470867 - pyrimido-indole core only
分子名称: 7-fluoro-9H-pyrimido[4,5-b]indol-4-amine, DIMETHYL SULFOXIDE, 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
2RUH
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BU of 2ruh by Molmil
Chemical Shift Assignments for MIP and MDM2 in bound state
分子名称: E3 ubiquitin-protein ligase Mdm2
著者Nagata, T, Shirakawa, K, Kobayashi, N, Shiheido, H, Horisawa, K, Katahira, M, Doi, N, Yanagawa, H.
登録日2014-06-03
公開日2014-10-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Basis for Inhibition of the MDM2:p53 Interaction by an Optimized MDM2-Binding Peptide Selected with mRNA Display
Plos One, 9, 2014
8HIZ
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BU of 8hiz by Molmil
cryoEM structure of glutamate dehydrogenase from Thermococcus profundus in complex with NADP
分子名称: Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wakabayashi, T, Oide, M, Kato, T, Nakasako, M.
登録日2022-11-22
公開日2023-02-08
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Coenzyme-binding pathway on glutamate dehydrogenase suggested from multiple-binding sites visualized by cryo-electron microscopy.
Febs J., 290, 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

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