2KBM
 
 | | Ca-S100A1 interacting with TRTK12 | | Descriptor: | CALCIUM ION, F-actin-capping protein subunit alpha-2, Protein S100-A1 | | Authors: | Wright, N.T, Varney, K.M, Cannon, B.R, Morgan, M, Weber, D.J. | | Deposit date: | 2008-12-02 | | Release date: | 2009-02-10 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Ca-S100A1-TRTK12
To be Published
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6PC5
 | | E. coli 50S ribosome bound to compounds 46 and VS1 | | Descriptor: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2019-06-16 | | Release date: | 2020-06-17 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
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6PF7
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)benzoic acid | | Descriptor: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.795 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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2KUK
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6Q4D
 | | CDK2 in complex with FragLite31 | | Descriptor: | 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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2KYO
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2LJS
 | | Solution structure of MCoTI-V | | Descriptor: | Trypsin inhibitor 3 | | Authors: | Daly, N.L, Craik, D.J. | | Deposit date: | 2011-09-23 | | Release date: | 2012-08-08 | | Last modified: | 2019-12-25 | | Method: | SOLUTION NMR | | Cite: | Cyclic Peptides Arising by Evolutionary Parallelism via Asparaginyl-Endopeptidase-Mediated Biosynthesis.
Plant Cell, 24, 2012
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2NQJ
 | | Crystal structure of Escherichia coli endonuclease IV (Endo IV) E261Q mutant bound to damaged DNA | | Descriptor: | 5'-D(*CP*GP*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*GP*C)-3', 5'-D(*GP*CP*GP*TP*CP*CP*(3DR)P*CP*GP*AP*CP*GP*AP*CP*G)-3', Endonuclease 4, ... | | Authors: | Garcin-Hosfield, E.D, Hosfield, D.J, Tainer, J.A. | | Deposit date: | 2006-10-31 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | DNA apurinic-apyrimidinic site binding and excision by endonuclease IV.
Nat.Struct.Mol.Biol., 15, 2008
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2NQ9
 | | High resolution crystal structure of Escherichia coli endonuclease IV (Endo IV) Y72A mutant bound to damaged DNA | | Descriptor: | 5'-D(*AP*TP*AP*TP*CP*T)-3', 5'-D(*AP*TP*CP*TP*GP*AP*AP*GP*TP*AP*T)-3', 5'-D(P*(3DR)P*AP*GP*AP*T)-3', ... | | Authors: | Garcin-Hosfield, E.D, Hosfield, D.J, Tainer, J.A. | | Deposit date: | 2006-10-30 | | Release date: | 2007-11-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | DNA apurinic-apyrimidinic site binding and excision by endonuclease IV.
Nat.Struct.Mol.Biol., 15, 2008
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6PCR
 | | E. coli 50S ribosome bound to compound 40o | | Descriptor: | (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2019-06-18 | | Release date: | 2020-06-17 | | Last modified: | 2020-10-07 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
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2NA5
 | | NMR solution structure of vitamin B12 conjugates of PYY3-36 | | Descriptor: | CYANOCOBALAMIN, Peptide YY | | Authors: | Doyle, R.P, Henry, K.E, Roth, C.L, Kerwood, D.J, Allis, D.G, Holz, G.G, Zubieta, J. | | Deposit date: | 2015-12-21 | | Release date: | 2016-09-21 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Constrained Molecular Dynamics Study of Vitamin B12 Conjugates of the Anorectic Peptide PYY(3-36).
Chemmedchem, 11, 2016
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2N5H
 | | PltL-holo | | Descriptor: | 4'-PHOSPHOPANTETHEINE, Peptidyl carrier protein PltL | | Authors: | Jaremko, M.J, Lee, D.J, Burkart, M.D. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-16 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structure and Substrate Sequestration in the Pyoluteorin Type II Peptidyl Carrier Protein PltL.
J.Am.Chem.Soc., 137, 2015
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6R8H
 | | Triosephosphate isomerase from liver fluke (Fasciola hepatica). | | Descriptor: | SULFATE ION, Triosephosphate isomerase | | Authors: | Ferraro, F, Corvo, I, Bergalli, L, Ilarraz, A, Cabrera, M, Gil, J, Susuki, B, Caffrey, C, Timson, D.J, Robert, X, Guillon, C, Alvarez, G. | | Deposit date: | 2019-04-01 | | Release date: | 2020-02-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Novel and selective inactivators of Triosephosphate isomerase with anti-trematode activity.
Sci Rep, 10, 2020
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6R7R
 | | Crystal structure of the glutamate transporter homologue GltTk in complex with D-aspartate | | Descriptor: | D-ASPARTIC ACID, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Arkhipova, V, Guskov, A, Slotboom, D.J. | | Deposit date: | 2019-03-29 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding and transport of D-aspartate by the glutamate transporter homolog Glt Tk .
Elife, 8, 2019
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6RA0
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2NQH
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6RKD
 | | Molybdenum storage protein under turnover conditions | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MO(VI)(=O)(OH)2 CLUSTER, ... | | Authors: | Bruenle, S, Mills, D.J, Vonck, J, Ermler, U. | | Deposit date: | 2019-04-30 | | Release date: | 2019-12-18 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism.
Proc.Natl.Acad.Sci.USA, 2019
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2N5G
 | | NMR structure of KorA, a plasmid-encoded, global transcription regulator KorA | | Descriptor: | TrfB transcriptional repressor protein | | Authors: | Rajasekar, K.V, Lovering, A.L, Dancea, F.V, Scott, D.J, Harris, S, Bingle, L.E, Roessle, M, Thomas, C.M, Hyde, E.I, White, S.A. | | Deposit date: | 2015-07-17 | | Release date: | 2016-07-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator.
Nucleic Acids Res., 44, 2016
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2N5I
 | | PltL-pyrrolyl | | Descriptor: | (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1H-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate, Peptidyl carrier protein PltL | | Authors: | Jaremko, M.J, Lee, D.J, Burkart, M.D. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-16 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structure and Substrate Sequestration in the Pyoluteorin Type II Peptidyl Carrier Protein PltL.
J.Am.Chem.Soc., 137, 2015
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2K2F
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2JSQ
 | | Monomeric Human Telomere DNA Tetraplex with 3+1 Strand Fold Topology, Two Edgewise Loops and Double-Chain Reversal Loop, Form 2 15BrG, NMR, 10 Structures | | Descriptor: | HUMAN TELOMERE DNA | | Authors: | Kuryavyi, V.V, Phan, A.T, Luu, K.N, Patel, D.J. | | Deposit date: | 2007-07-11 | | Release date: | 2008-07-15 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of two intramolecular G-quadruplexes formed by natural human telomere sequences in K+ solution.
Nucleic Acids Res., 35, 2007
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2JXR
 | | STRUCTURE OF YEAST PROTEINASE A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide, PROTEINASE A, ... | | Authors: | Aguilar, C.F, Badasso, M, Dreyer, T, Cronin, N.B, Newman, M.P, Cooper, J.B, Hoover, D.J, Wood, S.P, Johnson, M.S, Blundell, T.L. | | Deposit date: | 1997-04-24 | | Release date: | 1997-10-29 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The three-dimensional structure at 2.4 A resolution of glycosylated proteinase A from the lysosome-like vacuole of Saccharomyces cerevisiae.
J.Mol.Biol., 267, 1997
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2JUB
 | | Solution structure of IPI* | | Descriptor: | Internal protein I | | Authors: | Rifat, D, Wright, N.T, Varney, K.M, Weber, D.J, Black, L.W. | | Deposit date: | 2007-08-17 | | Release date: | 2007-12-11 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Restriction endonuclease inhibitor IPI* of bacteriophage T4: a novel structure for a dedicated target.
J.Mol.Biol., 375, 2008
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2O4C
 | | Crystal Structure of D-Erythronate-4-phosphate Dehydrogenase Complexed with NAD | | Descriptor: | Erythronate-4-phosphate dehydrogenase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Ha, J.Y, Lee, J.H, Kim, K.H, Kim, D.J, Lee, H.H, Kim, H.K, Yoon, H.J, Suh, S.W. | | Deposit date: | 2006-12-04 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of d-Erythronate-4-phosphate Dehydrogenase Complexed with NAD
J.Mol.Biol., 366, 2007
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2OE6
 | | 2.4A X-ray crystal structure of unliganded RNA fragment GGGCGUCGCUAGUACC/CGGUACUAAAAGUCGCC containing the human ribosomal decoding A site: RNA construct with 5'-overhang | | Descriptor: | RNA (5'-R(*CP*GP*GP*UP*AP*CP*UP*AP*AP*AP*AP*GP*UP*CP*GP*CP*C)-3'), RNA (5'-R(*GP*GP*GP*CP*GP*UP*CP*GP*CP*UP*AP*GP*UP*AP*CP*C)-3') | | Authors: | Hermann, T, Tereshko, V, Skripkin, E, Patel, D.J. | | Deposit date: | 2006-12-28 | | Release date: | 2007-02-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Apramycin recognition by the human ribosomal decoding site.
Blood Cells Mol.Dis., 38, 2007
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