4RA2
 
 | | PP2Ca | | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A | | Authors: | Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P. | | Deposit date: | 2014-09-09 | | Release date: | 2015-05-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | The catalytic role of the M2 metal ion in PP2Ca
SCI REP, 2015
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6VWL
 | | 70S ribosome bound to HIV frameshifting stem-loop (FSS) and P/E tRNA (rotated conformation) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loerch, S, Bao, C, Ling, C, Korostelev, A.A, Grigorieff, N, Ermolenko, D.M. | | Deposit date: | 2020-02-20 | | Release date: | 2020-06-03 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | mRNA stem-loops can pause the ribosome by hindering A-site tRNA binding.
Elife, 9, 2020
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5DAZ
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6VZ6
 | | Methanococcoides burtonii cytochrome b5 domain protein (WP 011499504.1) | | Descriptor: | Cytochrome b5-domain protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Teakel, S.L, Forwood, J.K, Aragao, D, Cahill, M.A, Marama, M. | | Deposit date: | 2020-02-27 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Methanococcoides burtonii cytochrome b5 domain protein (WP 011499504.1)
To Be Published
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4RA4
 | | Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | | Descriptor: | (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Protein kinase C | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-09-09 | | Release date: | 2014-10-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
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5DFD
 | | Crystal structure of BRD2(BD2) W370F mutant with ligand 28 bound | | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate | | Authors: | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | | Deposit date: | 2015-08-26 | | Release date: | 2015-11-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016
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2IW1
 | | Crystal Structure of WaaG, a glycosyltransferase involved in lipopolysaccharide biosynthesis | | Descriptor: | LIPOPOLYSACCHARIDE CORE BIOSYNTHESIS PROTEIN RFAG, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE | | Authors: | Martinez-Fleites, C, Proctor, M, Roberts, S, Bolam, D.N, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2006-06-23 | | Release date: | 2006-10-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Insights Into the Synthesis of Lipopolysaccharide and Antibiotics Through the Structures of Two Retaining Glycosyltransferases from Family Gt4
Chem.Biol., 13, 2006
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3EF0
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8IJK
 | | human KCNQ2-CaM-Ebio1 complex in the presence of PIP2 | | Descriptor: | Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Ma, D, Guo, J. | | Deposit date: | 2023-02-27 | | Release date: | 2024-01-17 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
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6IP9
 | | Crystal Structure of Lanthanum ion (La3+) bound bovine alpha-lactalbumin | | Descriptor: | Alpha-lactalbumin, GLYCEROL, LANTHANUM (III) ION, ... | | Authors: | Prakash, P, Yarramala, S.D, Rao, C.P, Bhaumik, P. | | Deposit date: | 2018-11-02 | | Release date: | 2019-02-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Cytotoxicity of apo bovine alpha-lactalbumin complexed with La3+on cancer cells supported by its high resolution crystal structure.
Sci Rep, 9, 2019
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4R9Z
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4QVB
 | | Mycobacterium tuberculosis protein Rv1155 in complex with co-enzyme F420 | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, COENZYME F420, ... | | Authors: | Mashalidis, E.H, Gittis, A.G, Tomczak, A, Abell, C, Barry III, C.E, Garboczi, D.N. | | Deposit date: | 2014-07-14 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular insights into the binding of coenzyme F420 to the conserved protein Rv1155 from Mycobacterium tuberculosis.
Protein Sci., 24, 2015
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3ZFS
 | | Cryo-EM structure of the F420-reducing NiFe-hydrogenase from a methanogenic archaeon with bound substrate | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, COENZYME F420, F420-REDUCING HYDROGENASE, ... | | Authors: | Mills, D.J, Vitt, S, Strauss, M, Shima, S, Vonck, J. | | Deposit date: | 2012-12-12 | | Release date: | 2013-03-06 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | De Novo Modeling of the F420-Reducing [Nife]-Hydrogenase from a Methanogenic Archaeon by Cryo-Electron Microscopy
Elife, 2, 2013
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4QVD
 | | E.coli Hfq in complex with RNA Ads | | Descriptor: | RNA (5'-R(*AP*AP*CP*UP*AP*AP*A)-3'), RNA-binding protein Hfq | | Authors: | Wang, L.J, Wang, W.W, Li, F.D, Wu, J.H, Gong, Q.G, Shi, Y.Y. | | Deposit date: | 2014-07-14 | | Release date: | 2015-05-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.972 Å) | | Cite: | Structural insights into the recognition of the internal A-rich linker from OxyS sRNA by Escherichia coli Hfq
Nucleic Acids Res., 43, 2015
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2IMP
 | | Crystal structure of lactaldehyde dehydrogenase from E. coli: the ternary complex with lactate (occupancy 0.5) and NADH. Crystals soaked with (L)-Lactate. | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, LACTIC ACID, Lactaldehyde dehydrogenase, ... | | Authors: | Di Costanzo, L, Gomez, G.A, Christianson, D.W. | | Deposit date: | 2006-10-04 | | Release date: | 2007-02-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Lactaldehyde Dehydrogenase from Escherichia coli and Inferences Regarding Substrate and Cofactor Specificity.
J.Mol.Biol., 366, 2007
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6IRU
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4QXI
 | | Crystal structure of human AR complexed with NADP+ and AK198 | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Hobza, P, Podjarny, A.D. | | Deposit date: | 2014-07-21 | | Release date: | 2015-07-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (0.867 Å) | | Cite: | The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition.
Acs Chem.Biol., 10, 2015
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4QYO
 | | Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with MSP2 14-22 | | Descriptor: | Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2 | | Authors: | Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. | | Deposit date: | 2014-07-24 | | Release date: | 2015-06-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.208 Å) | | Cite: | Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
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6VQY
 | | HLA-B*27:05 presenting an HIV-1 7mer peptide | | Descriptor: | 7-mer peptide, ARGININE, Beta-2-microglobulin, ... | | Authors: | Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N. | | Deposit date: | 2020-02-06 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
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3ES3
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3ZPK
 | | Atomic-resolution structure of a quadruplet cross-beta amyloid fibril. | | Descriptor: | TRANSTHYRETIN | | Authors: | Fitzpatrick, A.W.P, Debelouchina, G.T, Bayro, M.J, Clare, D.K, Caporini, M.A, Bajaj, V.S, Jaroniec, C.P, Wang, L, Ladizhansky, V, Muller, S.A, MacPhee, C.E, Waudby, C.A, Mott, H.R, de Simone, A, Knowles, T.P.J, Saibil, H.R, Vendruscolo, M, Orlova, E.V, Griffin, R.G, Dobson, C.M. | | Deposit date: | 2013-02-28 | | Release date: | 2013-12-04 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY, SOLID-STATE NMR | | Cite: | Atomic Structure and Hierarchical Assembly of a Cross-Beta Amyloid Fibril.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6W92
 | | Human UHRF1 TTD domain | | Descriptor: | E3 ubiquitin-protein ligase UHRF1 | | Authors: | Campbell, J.C, Chang, L, Sankaran, B, Young, D.W. | | Deposit date: | 2020-03-21 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery.
Sci Rep, 11, 2021
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3E2F
 | | Crystal structure of mouse kynurenine aminotransferase III, PLP-bound form | | Descriptor: | GLYCEROL, Kynurenine-oxoglutarate transaminase 3 | | Authors: | Han, Q, Robinson, R, Cai, T, Tagle, D.A, Li, J. | | Deposit date: | 2008-08-05 | | Release date: | 2008-12-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Correction for Han et al., "Biochemical and Structural Properties of Mouse Kynurenine Aminotransferase III".
Mol. Cell. Biol., 38, 2018
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7SWP
 | | G32Q4 Fab in complex with SARS-CoV-2 Spike 6P (RBD local reconstruction) | | Descriptor: | G32Q4 Fab heavy chain, G32Q4 Fab light chain, Spike protein S1 | | Authors: | Windsor, I.W, Tong, P, Wesemann, D.R, Harrison, S.C. | | Deposit date: | 2021-11-20 | | Release date: | 2022-04-27 | | Last modified: | 2022-11-09 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Antibodies induced by an ancestral SARS-CoV-2 strain that cross-neutralize variants from Alpha to Omicron BA.1.
Sci Immunol, 7, 2022
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6W2H
 | | Crystal Structure of the Internal UBA Domain of HHR23A | | Descriptor: | SULFATE ION, UV excision repair protein RAD23 homolog A | | Authors: | Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C. | | Deposit date: | 2020-03-05 | | Release date: | 2021-03-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Residual Structure in the Denatured State of the Fast-Folding UBA(1) Domain from the Human DNA Excision Repair Protein HHR23A.
Biochemistry, 61, 2022
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