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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
2RFB
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BU of 2rfb by Molmil
Crystal Structure of a Cytochrome P450 from the Thermoacidophilic Archaeon Picrophilus Torridus
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Ho, W.W, Li, H, Poulos, T.L, Nishida, C.R, Ortiz de Montellano, P.R.
Deposit date:2007-09-28
Release date:2008-01-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure and Properties of CYP231A2 from the Thermoacidophilic Archaeon Picrophilus torridus.
Biochemistry, 47, 2008
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
Descriptor: 7-fluoro-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
8H3X
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BU of 8h3x by Molmil
Bacteroide Fragilis Toxin in complex with nanobody 282
Descriptor: Fragilysin, ZINC ION, nanobody 282
Authors:Wen, Y, Guo, Y.
Deposit date:2022-10-09
Release date:2023-02-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Screening and epitope characterization of diagnostic nanobody against total and activated Bacteroides fragilis toxin.
Front Immunol, 14, 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
Descriptor: 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
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 (0.97 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
4WD9
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BU of 4wd9 by Molmil
Crystal structure of tRNA-dependent lantibiotic dehydratase NisB in complex with NisA leader peptide
Descriptor: Nisin biosynthesis protein NisB
Authors:Hao, Y, Nair, S.K.
Deposit date:2014-09-08
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and mechanism of the tRNA-dependent lantibiotic dehydratase NisB.
Nature, 517, 2015
8H8R
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BU of 8h8r by Molmil
Bovine Heart Cytochrome c Oxidase in the Calcium-bound Fully Oxidized State
Descriptor: (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, ...
Authors:Muramoto, K, Shinzawa-Itoh, K.
Deposit date:2022-10-24
Release date:2023-02-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Calcium-bound structure of bovine cytochrome c oxidase.
Biochim Biophys Acta Bioenerg, 1864, 2023
4WEA
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BU of 4wea by Molmil
Structure and receptor binding prefereneces of recombinant human A(H3N2) virus hemagglutinins
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Villanueva, J.M, Stevens, J.
Deposit date:2014-09-09
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Non-structural protein 3, [(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol
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 (1.01 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
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
Descriptor: 3-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-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
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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C.
Deposit date:2014-08-27
Release date:2014-09-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
2RGS
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BU of 2rgs by Molmil
FC-fragment of monoclonal antibody IGG2B from Mus musculus
Descriptor: 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
Authors:Kolenko, P, Duskova, J, Skalova, T, Dohnalek, J, Hasek, J.
Deposit date:2007-10-05
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:New insights into intra- and intermolecular interactions of immunoglobulins: crystal structure of mouse IgG2b-Fc at 2.1-A resolution
Immunology, 126, 2008
8HI2
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BU of 8hi2 by Molmil
Structure of EV71 VLP frozen at -183 degree embedded in crystalline ice
Descriptor: Genome polyprotein, Genome polyprotein (Fragment)
Authors:Shi, H, Wu, C, Zhang, X.
Deposit date:2022-11-18
Release date:2023-02-01
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Addressing compressive deformation of proteins embedded in crystalline ice.
Structure, 31, 2023
4WEJ
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BU of 4wej by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam
Descriptor: (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
Authors:Ferguson, A.D.
Deposit date:2014-09-10
Release date:2015-04-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.045 Å)
Cite: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
Descriptor: Chromatin-associated protein swi6
Authors:Shimojo, H, Nishimura, Y.
Deposit date:2012-04-18
Release date:2012-08-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Intrinsic nucleic Acid-binding activity of chp1 chromodomain is required for heterochromatic gene silencing
Mol.Cell, 47, 2012
8HRA
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BU of 8hra by Molmil
Structure of heptameric RdrA ring in RNA-loading state
Descriptor: 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')
Authors:Gao, Y.
Deposit date:2022-12-15
Release date:2023-02-01
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Molecular basis of RADAR anti-phage supramolecular assemblies.
Cell, 186, 2023
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
Descriptor: (2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)morpholine-2-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
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
Descriptor: Non-structural protein 3, [(2R,6R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-(hydroxymethyl)morpholin-2-yl]acetic acid
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
2ROT
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BU of 2rot by Molmil
Structure of chimeric variant of SH3 domain- SHH
Descriptor: Spectrin alpha chain, brain
Authors:Kutyshenko, N.P, Prokhorov, D.A, Timchenko, M.A, Kudrevatykh, Y.A, Gushchina, L.V, Khristoforov, V.S, Filimonov, V.V.
Deposit date:2008-04-10
Release date:2009-04-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure and dynamics of the chimeric SH3 domains, SHH- and SHA-"Bergeracs".
Biochim.Biophys.Acta, 1794, 2009
8H9A
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BU of 8h9a by Molmil
Crystal structure of chemically modified E. coli ThrS catalytic domain 2
Descriptor: N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION
Authors:Qiao, H, Xia, M, Wang, J, Fang, P.
Deposit date:2022-10-25
Release date:2023-02-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
4URP
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BU of 4urp by Molmil
The Crystal structure of Nitroreductase from Saccharomyces cerevisiae
Descriptor: FATTY ACID REPRESSION MUTANT PROTEIN 2
Authors:Song, H.-N, Woo, E.-J, Bang, S.-Y, Jung, D.-G, Park, S.-G.
Deposit date:2014-07-01
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.991 Å)
Cite:Crystal Structure of the Fungal Nitroreductase Frm2 from Saccharomyces Cerevisiae.
Protein Sci., 24, 2015
8H9D
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BU of 8h9d by Molmil
Crystal structure of Cas12a protein
Descriptor: 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'), ...
Authors:Jianwei, L, Jobichen, C, Sivaraman, J.
Deposit date:2022-10-25
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
4V05
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BU of 4v05 by Molmil
FGFR1 in complex with AZD4547.
Descriptor: 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, PFEIFFER SYNDROME), ...
Authors:Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A.
Deposit date:2014-09-10
Release date:2014-12-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
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
Descriptor: 3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine, 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
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
Descriptor: P16 peptide from Major prion protein, RNA_(5'-R(*GP*GP*AP*GP*GP*AP*GP*GP*AP*GP*GP*A)-3')
Authors:Hayashi, T, Oshima, H, Mashima, T, Nagata, T, Katahira, M, Kinoshita, M.
Deposit date:2013-12-24
Release date:2014-05-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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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