5LCC
 
 | | Oceanobacillus iheyensis macrodomain mutant D40A | | Descriptor: | MACROD-TYPE MACRODOMAIN | | Authors: | Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A. | | Deposit date: | 2016-06-20 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
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8P14
 | | USP28 USP domain in complex with Vismodegib | | Descriptor: | 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, CHLORIDE ION, Ubiquitin carboxyl-terminal hydrolase 28 | | Authors: | Sauer, F, Karal Nair, R, Kisker, C. | | Deposit date: | 2023-05-11 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | USP28 USP domain in complex with Vismodegib
To Be Published
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8OWQ
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5ULF
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6ZET
 | | Crystal structure of proteinase K nanocrystals by electron diffraction with a 20 micrometre C2 condenser aperture | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Evans, G, Zhang, P, Beale, E.V, Waterman, D.G. | | Deposit date: | 2020-06-16 | | Release date: | 2020-10-14 | | Last modified: | 2024-10-16 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.701 Å) | | Cite: | A Workflow for Protein Structure Determination From Thin Crystal Lamella by Micro-Electron Diffraction.
Front Mol Biosci, 7, 2020
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6ZEV
 | | Crystal structure of proteinase K lamellae by electron diffraction with a 20 micrometre C2 condenser aperture | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Evans, G, Zhang, P, Beale, E.V, Waterman, D.G. | | Deposit date: | 2020-06-16 | | Release date: | 2020-10-14 | | Last modified: | 2024-11-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.4 Å) | | Cite: | A Workflow for Protein Structure Determination From Thin Crystal Lamella by Micro-Electron Diffraction.
Front Mol Biosci, 7, 2020
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6WC5
 | | Crystal Structure of a Ternary MEF2B/NKX2-5/myocardin enhancer DNA Complex | | Descriptor: | Homeobox protein Nkx-2.5, Myocardin enhancer DNA, Myocyte-specific enhancer factor 2B | | Authors: | Chen, L, Lei, X. | | Deposit date: | 2020-03-29 | | Release date: | 2020-07-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Ternary Complexes of MEF2 and NKX2-5 Bound to DNA Reveal a Disease Related Protein-Protein Interaction Interface.
J.Mol.Biol., 432, 2020
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6ZFC
 | | Fucose-binding lectin from Burkholderia ambifaria (BamBL) in complex with a fucosyl derivative | | Descriptor: | 2-[(2~{S},3~{S},4~{R},4~{a}~{S},10~{a}~{S})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{H}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{N}-(3-oxidanylpropyl)ethanamide, bacterial lectin from Burkholderia ambifaria | | Authors: | Kuhaudomlarp, S, Gillon, E, Fragai, M, Cerofolini, L, Giuntini, S, Denis, M, Santarsia, S, Valori, C, Dondoni, A, Fallarini, S, Lombardi, G, Nativi, C, Imberty, A. | | Deposit date: | 2020-06-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Fucosylated ubiquitin and orthogonally glycosylated mutant A28C: conceptually new ligands for Burkholderia ambifaria lectin (BambL).
Chem Sci, 11, 2020
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6ZFN
 | | Structure of an inactive E404Q variant of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with 1-methyl alpha-1,2-mannobiose | | Descriptor: | Glycoprotein endo-alpha-1,2-mannosidase, SULFATE ION, alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside | | Authors: | Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | | Deposit date: | 2020-06-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6NB5
 | | Crystal structure of anti- MERS-CoV human neutralizing LCA60 antibody Fab fragment | | Descriptor: | LCA60 antigen-binding (Fab) fragment, heavy chain, light chain | | Authors: | Walls, A.J, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, J, Quispe, J, Cameroni, E, Gopal, R, Dai, M, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2018-12-06 | | Release date: | 2019-02-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
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5DA5
 | | Crystal structure of Rhodospirillum rubrum Rru_A0973 | | Descriptor: | CALCIUM ION, FE (III) ION, GLYCOLIC ACID, ... | | Authors: | He, D, Vanden Hehier, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J. | | Deposit date: | 2015-08-19 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.064 Å) | | Cite: | Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments.
Elife, 5, 2016
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5UO4
 | | Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile | | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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6WKS
 | | Structure of SARS-CoV-2 nsp16/nsp10 in complex with RNA cap analogue (m7GpppA) and S-adenosylmethionine | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase, ADENOSINE, ... | | Authors: | Gupta, Y.K, Viswanathan, T, Arya, S, Qi, S, Misra, A, Chan, S.-H. | | Deposit date: | 2020-04-16 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of RNA cap modification by SARS-CoV-2.
Nat Commun, 11, 2020
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5I11
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6NU9
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5UNI
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6YU1
 | | CLK3 bound with beta-carboline KH-CARB13 (Cpd 3) | | Descriptor: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, ... | | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-25 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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5UNM
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, substrate free form with flexible loop | | Descriptor: | ATP-utilizing enzyme of the PP-loopsuperfamily, PHOSPHATE ION | | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | | Deposit date: | 2017-01-31 | | Release date: | 2017-08-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5LHX
 | | PB3 Domain of Drosophila melanogaster PLK4 (Sak) | | Descriptor: | Serine/threonine-protein kinase PLK4 | | Authors: | Cottee, M.A, Lea, S.M. | | Deposit date: | 2016-07-13 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | A key centriole assembly interaction interface between human PLK4 and STIL appears to not be conserved in flies.
Biol Open, 6, 2017
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5IQ8
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6V2Q
 | | HLA-B*57:03 presenting the peptide LSSPVTKSF | | Descriptor: | ACETATE ION, Beta-2-microglobulin, HLA-B alpha chain (B*5703GB), ... | | Authors: | Maclachlan, B, Rossjohn, J, Vivian, J.P. | | Deposit date: | 2019-11-25 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5IQG
 | | Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GDP, Magnesium, and Gentamicin C1 | | Descriptor: | Bifunctional AAC/APH, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Caldwell, S.J, Berghuis, A.M. | | Deposit date: | 2016-03-10 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
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8P2O
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5LIL
 | | Structure of Aggregatibacter actinomycetemcomitans MacB bound to ATPyS (P21) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Macrolide export ATP-binding/permease protein MacB | | Authors: | Crow, A. | | Deposit date: | 2016-07-15 | | Release date: | 2017-11-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Structure and mechanotransmission mechanism of the MacB ABC transporter superfamily.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6V2W
 | | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J. | | Deposit date: | 2019-11-25 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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