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7T8E
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BU of 7t8e by Molmil
G93A mutant of human SOD1 in P21 space group
Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
8A2F
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BU of 8a2f by Molmil
Crystal Structure of Ljunganvirus 1 2A protein
Descriptor: 2A protein
Authors:von Castelmur, E, Zhu, L, Wang, X, Fry, E, Ren, J, Perrakis, A, Stuart, D.I.
Deposit date:2022-06-03
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural plasticity of 2A proteins in the Parechovirus family
To Be Published
6GG6
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BU of 6gg6 by Molmil
Crystal structure of M2 PYK in complex with Serine.
Descriptor: MAGNESIUM ION, PHOSPHATE ION, POTASSIUM ION, ...
Authors:McNae, I.W, Yuan, M, Walkinshaw, M.D.
Deposit date:2018-05-02
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor.
Biochem. J., 475, 2018
6CS8
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BU of 6cs8 by Molmil
High resolution crystal structure of FtsY-NG domain of E. coli
Descriptor: 1H-indole-6-carbonitrile, SODIUM ION, Signal recognition particle receptor FtsY
Authors:Faoro, C, Ataide, S.F.
Deposit date:2018-03-19
Release date:2018-08-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Discovery of fragments that target key interactions in the signal recognition particle (SRP) as potential leads for a new class of antibiotics.
PLoS ONE, 13, 2018
6XTJ
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BU of 6xtj by Molmil
The high resolution structure of the FERM domain of human FERMT2
Descriptor: CITRIC ACID, Fermitin family homolog 2,Fermitin family homolog 2,Fermitin family homolog 2
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-01-16
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The high resolution structure of the FERM domain of human FERMT2
To Be Published
6H9P
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BU of 6h9p by Molmil
MamM CTD E289D - Manganese form
Descriptor: BETA-MERCAPTOETHANOL, MANGANESE (II) ION, Magnetosome protein MamM, ...
Authors:Barber-Zucker, S, Zarivach, R.
Deposit date:2018-08-05
Release date:2019-08-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:MamM CTD E289D - Manganese form
To Be Published
8A2E
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BU of 8a2e by Molmil
Crystal Structure of Human Parechovirus 3 2A protein
Descriptor: 2A protein, GLYCEROL, SULFATE ION
Authors:von Castelmur, E, Zhu, L, wang, X, Fry, E, Ren, J, Perrakis, A, Stuart, D.I.
Deposit date:2022-06-03
Release date:2023-06-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural plasticity of 2A proteins in the Parechovirus family.
To Be Published
6XTS
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BU of 6xts by Molmil
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Cu:S:O2-1d complex
Descriptor: ABZ-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY, CALCIUM ION, CHLORIDE ION, ...
Authors:Leisinger, F, Seebeck, F.P.
Deposit date:2020-01-16
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Non-Coordinative Binding of O2 at the Active Center of a Copper-Dependent Enzyme
Angew.Chem.Int.Ed.Engl., 2020
6H9Z
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BU of 6h9z by Molmil
Molecular bases of histo-blood group antigen recognition by the most common human rotavirus
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Outer capsid protein VP4, SULFATE ION
Authors:Ciges-Tomas, J.R, Gozalbo-Rovira, R, Vila-Vicent, S, Buesa, J, Santiso-Bellon, C, Monedero, V, Yebra, M.J, Rodriguez-Diaz, J, Marina, A.
Deposit date:2018-08-06
Release date:2019-06-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens.
Plos Pathog., 15, 2019
6CPL
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BU of 6cpl by Molmil
Crystal structure of DR11 presenting the gag293 epitope
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Farenc, C, Gras, S, Rossjohn, J.
Deposit date:2018-03-13
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:CD4+T cell-mediated HLA class II cross-restriction in HIV controllers.
Sci Immunol, 3, 2018
6XUN
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BU of 6xun by Molmil
Ab 5b1 bound to CA19-9
Descriptor: GLYCEROL, Heavy chain, Light chain, ...
Authors:Diskin, R, Borenstein-Katz, A.
Deposit date:2020-01-20
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies.
J.Mol.Biol., 433, 2021
6CTH
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BU of 6cth by Molmil
Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao
Descriptor: ACETATE ION, Concanavalin A-like lectin protein kinase family protein, MAGNESIUM ION, ...
Authors:Tosarini, T.R, Profeta, G.S, dos Reis, C.V, Counago, R.M, Massirer, K.B, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2018-03-23
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao
To Be Published
7T8G
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BU of 7t8g by Molmil
G93A mutant of human SOD1 bound with MR6-8-2 in P21 space group
Descriptor: ACETATE ION, SELENIUM ATOM, SULFATE ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
6HB0
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BU of 6hb0 by Molmil
Crystal structure of MSMEG_1712 from Mycobacterium smegmatis
Descriptor: ABC transporter periplasmic-binding protein YtfQ, ZINC ION
Authors:Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C.
Deposit date:2018-08-09
Release date:2019-05-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Detection and Characterization of a Mycobacterial L-Arabinofuranose ABC Transporter Identified with a Rapid Lipoproteomics Protocol.
Cell Chem Biol, 26, 2019
6XV4
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BU of 6xv4 by Molmil
Neutron structure of ferric ascorbate peroxidase-ascorbate complex
Descriptor: ASCORBIC ACID, Ascorbate peroxidase, POTASSIUM ION, ...
Authors:Kwon, H, Basran, J, Devos, J.M, Schrader, T.E, Ostermann, A, Blakeley, M.P, Raven, E.L, Moody, P.C.E.
Deposit date:2020-01-21
Release date:2020-03-18
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
Cite:Visualizing the protons in a metalloenzyme electron proton transfer pathway.
Proc.Natl.Acad.Sci.USA, 117, 2020
8TWQ
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BU of 8twq by Molmil
Structure of bacteriophage lambda RexA protein
Descriptor: CADMIUM ION, Protein rexA, SULFATE ION
Authors:Adams, M.C, Chappie, J.S, Schiltz, C.J.
Deposit date:2023-08-21
Release date:2024-04-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The crystal structure of bacteriophage lambda RexA provides novel insights into the DNA binding properties of Rex-like phage exclusion proteins.
Nucleic Acids Res., 52, 2024
6GIE
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BU of 6gie by Molmil
Crystal structure of the Acinetobacter baumannii outer membrane protein Omp33
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 33-36 kDa outer membrane protein
Authors:Abellon-Ruiz, J, Zahn, M, Basle, A, van den Berg, B.
Deposit date:2018-05-10
Release date:2018-09-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the Acinetobacter baumannii outer membrane protein Omp33.
Acta Crystallogr D Struct Biol, 74, 2018
6XVB
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BU of 6xvb by Molmil
Crystal structure of the kinase domain of human c-KIT with a cyclic imidate inhibitor covalently bound to Cys788
Descriptor: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Authors:Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-21
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
6HAO
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BU of 6hao by Molmil
MamM CTD H264E - Cadmium form 2
Descriptor: BETA-MERCAPTOETHANOL, CADMIUM ION, Magnetosome protein MamM, ...
Authors:Barber-Zucker, S, Zarivach, R.
Deposit date:2018-08-08
Release date:2019-08-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:MamM CTD H264E - Cadmium form 2
To Be Published
6XVO
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BU of 6xvo by Molmil
Crystal structure of the intertwined dimer of the c-Src SH3 domain without ATCUN motif
Descriptor: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src, TRIETHYLENE GLYCOL
Authors:Camara-Artigas, A, Plaza-Garrido, M.
Deposit date:2020-01-22
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The effect of an engineered ATCUN motif on the structure and biophysical properties of the SH3 domain of c-Src tyrosine kinase.
J.Biol.Inorg.Chem., 25, 2020
6HB6
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BU of 6hb6 by Molmil
Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-uridine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Tyrosine--tRNA ligase, ...
Authors:De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2018-08-09
Release date:2019-04-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases.
Eur.J.Med.Chem., 173, 2019
6GIM
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BU of 6gim by Molmil
Structure of the DNA duplex d(AAATTT)2 with [N-(3-chloro-4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-4-((4,5-dihydro-1H-imidazol-2- yl)amino)benzamide] - (drug JNI18)
Descriptor: DNA (5'-D(*AP*AP*AP*TP*TP*T)-3'), MAGNESIUM ION, [4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium
Authors:Millan, C.R, Dardonvile, C, de Koning, H.P, Saperas, N, Campos, J.L.
Deposit date:2018-05-14
Release date:2018-08-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Functional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast.
Nucleic Acids Res., 45, 2017
6CQ9
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BU of 6cq9 by Molmil
K2P2.1(TREK-1):ML402 complex
Descriptor: CADMIUM ION, HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ...
Authors:Lolicato, M, Minor, D.L.
Deposit date:2018-03-14
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site.
Nature, 547, 2017
6HAS
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BU of 6has by Molmil
Crystal Structure of the small subunit-like domain of Rubisco activase from Nostoc sp. (strain PCC 7120)
Descriptor: NICKEL (II) ION, Ribulose bisphosphate carboxylase/oxygenase activase
Authors:Popilka, L, Bracher, A.
Deposit date:2018-08-08
Release date:2020-01-15
Last modified:2021-01-27
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Dual Functions of a Rubisco Activase in Metabolic Repair and Recruitment to Carboxysomes.
Cell, 183, 2020
7T8H
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BU of 7t8h by Molmil
G93A mutant of human SOD1 bound with MR6-26-2 in P21 space group
Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024

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