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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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, HSIE1
Authors:Forster, A, Planamente, S, Manoli, E, Lossi, N.S, Freemont, P.S, Filloux, A.
Deposit date:2014-06-25
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
5SRD
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BU of 5srd by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5373433723 - (S) isomer
Descriptor: (8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)-6-azaspiro[3.4]octane-8-carboxamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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
Descriptor: DNA repair protein RAD52 homolog
Authors:Kinoshita, C, Takizawa, Y, Saotome, M, Ogino, S, Kurumizaka, H, Kagawa, W.
Deposit date:2022-10-03
Release date:2023-02-08
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:The cryo-EM structure of full-length RAD52 protein contains an undecameric ring.
Febs Open Bio, 13, 2023
2TSB
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BU of 2tsb by Molmil
AZURIN MUTANT M121A-AZIDE
Descriptor: AZIDE ION, AZURIN AZIDE, COPPER (II) ION
Authors:Tsai, L.-C, Bonander, N, Harata, K, Karlsson, B.G, Vanngard, T, Langer, V, Sjolin, L.
Deposit date:1996-05-10
Release date:1996-11-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: (5R)-7-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-7-azaspiro[3.5]nonane-5-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
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
Descriptor: CALCIUM ION, LECB LECTIN, beta-D-galactopyranose, ...
Authors:Boukerb, A.M, Decor, A, Tabaroni, R, Varrot, A, Debentzmann, S, Vidal, S, Imberty, A, Cournoyer, B.
Deposit date:2014-07-18
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
8HGO
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BU of 8hgo by Molmil
The EGF-bound EGFR/HER2 ectodomain complex
Descriptor: 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, ...
Authors:Zhang, Z, Bai, X.
Deposit date:2022-11-15
Release date:2023-02-08
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Structure and dynamics of the EGFR/HER2 heterodimer.
Cell Discov, 9, 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
Descriptor: (3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)(methyl)amino]-1lambda~6~-thiane-1,1-dione, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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
Descriptor: FLUORESCENT PROTEIN DRONPA
Authors:Kaucikas, M, Fitzpatrick, A, Bryan, E, Struve, A, Henning, R, Kosheleva, I, Srajer, V, van Thor, J.J.
Deposit date:2014-07-22
Release date:2015-06-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Room Temperature Crystal Structure of the Fast Switching M159T Mutant of the Fluorescent Protein Dronpa.
Proteins, 83, 2015
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
Descriptor: 1,2-ETHANEDIOL, 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, BROMODOMAIN-CONTAINING PROTEIN 4, ...
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2014-08-30
Release date:2014-09-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:1,3-Dimethyl Benzimidazolones are Potent, Selective Inhibitors of the Brpf1 Bromodomain.
Acs Med.Chem.Lett., 5, 2014
8HDR
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BU of 8hdr by Molmil
Cyanophage Pam3 neck
Descriptor: Pam3 adaptor protein, Pam3 connector protein, Pam3 sheath protein, ...
Authors:Yang, F, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-11-06
Release date:2023-02-01
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Fine structure and assembly pattern of a minimal myophage Pam3.
Proc.Natl.Acad.Sci.USA, 120, 2023
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
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Nitroalkane oxidase
Authors:Fitzpatrick, P.F, Bozinovski, D.M, Heroux, A, Shaw, P.G, Valley, M.P, Orville, A.M.
Deposit date:2007-09-26
Release date:2008-06-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanistic and structural analyses of the roles of Arg409 and Asp402 in the reaction of the flavoprotein nitroalkane oxidase.
Biochemistry, 46, 2007
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
Descriptor: 4-methyl-5-{[(9H-purin-6-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4UWT
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BU of 4uwt by Molmil
Hypocrea jecorina Cel7A E212Q mutant in complex with p-nitrophenyl cellobioside
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL7A, COBALT (II) ION, ...
Authors:Nutt, A, Momeni, M.H, Johansson, G, Stahlberg, J.
Deposit date:2014-08-14
Release date:2015-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 2022
8H3Y
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BU of 8h3y by Molmil
Bacteroide Fragilis Toxin in complex with nanobody 327
Descriptor: Fragilysin, Nanobody 327, ZINC ION
Authors:Wen, Y, Guo, Y.
Deposit date:2022-10-09
Release date:2023-02-08
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Screening and epitope characterization of diagnostic nanobody against total and activated Bacteroides fragilis toxin.
Front Immunol, 14, 2023
2UBP
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BU of 2ubp by Molmil
STRUCTURE OF NATIVE UREASE FROM BACILLUS PASTEURII
Descriptor: NICKEL (II) ION, PROTEIN (UREASE ALPHA SUBUNIT), PROTEIN (UREASE BETA SUBUNIT), ...
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S.
Deposit date:1998-11-04
Release date:1999-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: (1-azaspiro[4.5]decan-1-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HGP
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BU of 8hgp by Molmil
The EREG-bound EGFR/HER2 ectodomain complex
Descriptor: 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, ...
Authors:Zhang, Z, Bai, X.
Deposit date:2022-11-15
Release date:2023-02-08
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (4.53 Å)
Cite:Structure and dynamics of the EGFR/HER2 heterodimer.
Cell Discov, 9, 2023
2RT4
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BU of 2rt4 by Molmil
NMR Structure of designed protein, AF.2A1, (Ensembles)
Descriptor: AF.2A1
Authors:Watanabe, H, Yamasaki, K, Honda, S.
Deposit date:2013-04-18
Release date:2014-01-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Tracing primordial protein evolution through structurally guided stepwise segment elongation.
J.Biol.Chem., 289, 2014
4UX9
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BU of 4ux9 by Molmil
Crystal structure of JNK1 bound to a MKK7 docking motif
Descriptor: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 7, MITOGEN-ACTIVATED PROTEIN KINASE 8, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Kragelj, J, Palencia, A, Nanao, M.H, Maurin, D, Bouvignies, G, Blackledge, M, Ringkjobing-Jensen, M.
Deposit date:2014-08-20
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure and Dynamics of the Mkk7-Jnk Signaling Complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
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
Descriptor: 7-fluoro-N-methyl-N-[(pyridin-2-yl)methyl]-9H-pyrimido[4,5-b]indol-4-amine, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HIZ
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BU of 8hiz by Molmil
cryoEM structure of glutamate dehydrogenase from Thermococcus profundus in complex with NADP
Descriptor: Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wakabayashi, T, Oide, M, Kato, T, Nakasako, M.
Deposit date:2022-11-22
Release date:2023-02-08
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Coenzyme-binding pathway on glutamate dehydrogenase suggested from multiple-binding sites visualized by cryo-electron microscopy.
Febs J., 290, 2023
2RUH
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BU of 2ruh by Molmil
Chemical Shift Assignments for MIP and MDM2 in bound state
Descriptor: E3 ubiquitin-protein ligase Mdm2
Authors:Nagata, T, Shirakawa, K, Kobayashi, N, Shiheido, H, Horisawa, K, Katahira, M, Doi, N, Yanagawa, H.
Deposit date:2014-06-03
Release date:2014-10-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for Inhibition of the MDM2:p53 Interaction by an Optimized MDM2-Binding Peptide Selected with mRNA Display
Plos One, 9, 2014
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
Descriptor: 7-fluoro-9H-pyrimido[4,5-b]indol-4-amine, DIMETHYL SULFOXIDE, Non-structural protein 3, ...
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4WCT
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BU of 4wct by Molmil
The crystal structure of Fructosyl amine: oxygen oxidoreductase (Amadoriase I) from Aspergillus fumigatus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine:oxygen oxidoreductase
Authors:Rigoldi, F, Gautieri, A, Dalle Vedove, A, Lucarelli, A.P, Vesentini, S, Parisini, E.
Deposit date:2014-09-05
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structure of the deglycating enzyme Amadoriase I in its free form and substrate-bound complex.
Proteins, 84, 2016

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数据于2024-10-16公开中

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