4DJY
 
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3S2N
 | | Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Tyr-D-Asp | | Descriptor: | (2R)-2-{[(S)-[(1R)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid, 1,2-ETHANEDIOL, ZINC ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | | Deposit date: | 2011-05-16 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Tyr-D-Asp
To be Published
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3S2M
 | | Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Phe-D-Asp | | Descriptor: | (2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid, 1,2-ETHANEDIOL, ZINC ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | | Deposit date: | 2011-05-16 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Phe-D-Asp
To be Published
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4DJW
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7ESR
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4DJX
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4DJU
 | | Structure of BACE Bound to 2-imino-3-methyl-5,5-diphenylimidazolidin-4-one | | Descriptor: | (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Cumming, J. | | Deposit date: | 2012-02-02 | | Release date: | 2012-03-21 | | Last modified: | 2012-04-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
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2MV0
 | | Solution NMR Structure of Maltose-binding protein from Escherichia coli, Northeast Structural Genomics Consortium (NESG) Target ER690 | | Descriptor: | Maltose-binding periplasmic protein | | Authors: | Rossi, P, Lange, O.F, Sgourakis, N.G, Song, Y, Lee, H, Aramini, J.M, Ertekin, A, Xiao, R, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2014-09-18 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4E3R
 | | PLP-bound aminotransferase mutant crystal structure from Vibrio fluvialis | | Descriptor: | Pyruvate transaminase, SODIUM ION, SULFATE ION | | Authors: | Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W. | | Deposit date: | 2012-03-10 | | Release date: | 2012-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
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1HSB
 | | DIFFERENT LENGTH PEPTIDES BIND TO HLA-AW68 SIMILARLY AT THEIR ENDS BUT BULGE OUT IN THE MIDDLE | | Descriptor: | ALANINE, ARGININE, BOUND PEPTIDE FRAGMENT, ... | | Authors: | Guo, H.-C, Strominger, J.L, Wiley, D.C. | | Deposit date: | 1993-03-30 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Different length peptides bind to HLA-Aw68 similarly at their ends but bulge out in the middle.
Nature, 360, 1992
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4E3Q
 | | PMP-bound form of Aminotransferase crystal structure from Vibrio fluvialis | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, BENZAMIDINE, Pyruvate transaminase, ... | | Authors: | Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W. | | Deposit date: | 2012-03-10 | | Release date: | 2012-10-10 | | Last modified: | 2013-01-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
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2YG8
 | | Structure of an unusual 3-Methyladenine DNA Glycosylase II (Alka) from Deinococcus radiodurans | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DNA-3-methyladenine glycosidase II, ... | | Authors: | Moe, E, Hall, D.R, Leiros, I, Talstad, V, Timmins, J, McSweeney, S. | | Deposit date: | 2011-04-11 | | Release date: | 2011-04-20 | | Last modified: | 2018-12-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-function studies of an unusual 3-methyladenine DNA glycosylase II (AlkA) from Deinococcus radiodurans.
Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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1L7B
 | | Solution NMR Structure of BRCT Domain of T. Thermophilus: Northeast Structural Genomics Consortium Target WR64TT | | Descriptor: | DNA LIGASE | | Authors: | Sahota, G, Dixon, B.L, Huang, Y.P, Aramini, J, Monleon, D, Bhattacharya, D, Swapna, G.V.T, Yin, C, Xiao, R, Anderson, S, Tejero, R, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-03-14 | | Release date: | 2003-09-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of the Brct Domain from Thermus Thermophilus DNA Ligase
To be Published
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1SEB
 | | COMPLEX OF THE HUMAN MHC CLASS II GLYCOPROTEIN HLA-DR1 AND THE BACTERIAL SUPERANTIGEN SEB | | Descriptor: | ENDOGENOUS PEPTIDE MODEL, POLY-ALA, ENTEROTOXIN TYPE B, ... | | Authors: | Jardetzky, T.S, Brown, J.H, Gorga, J.C, Stern, L.J, Urban, R.G, Chi, Y.I, Stauffacher, C, Strominger, J.L, Wiley, D.C. | | Deposit date: | 1995-11-26 | | Release date: | 1996-06-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Three-dimensional structure of a human class II histocompatibility molecule complexed with superantigen.
Nature, 368, 1994
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4AD8
 | | Crystal structure of a deletion mutant of Deinococcus radiodurans RecN | | Descriptor: | DNA REPAIR PROTEIN RECN | | Authors: | Pellegrino, S, Radzimanowski, J, de Sanctis, D, McSweeney, S, Timmins, J. | | Deposit date: | 2011-12-22 | | Release date: | 2012-12-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.998 Å) | | Cite: | Structural and Functional Characterization of an Smc-Like Protein Recn: New Insights Into Double-Strand Break Repair.
Structure, 20, 2012
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5ENF
 | | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with fragment-4 N10142 (SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein | | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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2YG9
 | | Structure of an unusual 3-Methyladenine DNA Glycosylase II (Alka) from Deinococcus radiodurans | | Descriptor: | CHLORIDE ION, DNA-3-methyladenine glycosidase II, putative, ... | | Authors: | Moe, E, Hall, D.R, Leiros, I, Talstad, V, Timmins, J, McSweeney, S. | | Deposit date: | 2011-04-11 | | Release date: | 2011-04-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-function studies of an unusual 3-methyladenine DNA glycosylase II (AlkA) from Deinococcus radiodurans.
Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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1HLA
 | | STRUCTURE OF THE HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN, HLA-A2 | | Descriptor: | BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A2) (ALPHA CHAIN) | | Authors: | Bjorkman, P.J, Saper, M.A, Samraoui, B, Bennett, W.S, Strominger, J.L, Wiley, D.C. | | Deposit date: | 1987-10-15 | | Release date: | 1988-01-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of the human class I histocompatibility antigen, HLA-A2.
Nature, 329, 1987
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7FVT
 | | Crystal Structure of S. aureus gyrase in complex with 6-[5-[2-[(4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one | | Descriptor: | 6-{(5R)-5-[2-({[(2R)-4-chloro-2,3-dihydro-1H-inden-2-yl]methyl}amino)ethyl]-2-oxo-1,3-oxazolidin-3-yl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | | Authors: | Xu, B, Benz, J, Cumming, J.G, Rudolph, M.G. | | Deposit date: | 2023-04-18 | | Release date: | 2023-06-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.081 Å) | | Cite: | Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens.
Acs Med.Chem.Lett., 14, 2023
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7FVS
 | | Crystal Structure of S. aureus gyrase in complex with 4-[[1-[(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl]azetidin-3-yl]methylamino]-6-fluorochromen-2-one | | Descriptor: | 4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one, ACETATE ION, CHLORIDE ION, ... | | Authors: | Xu, B, Benz, J, Cumming, J.G, Kreis, L, Rudolph, M.G. | | Deposit date: | 2023-04-18 | | Release date: | 2023-06-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens.
Acs Med.Chem.Lett., 14, 2023
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4ABX
 | | Crystal structure of Deinococcus radiodurans RecN coiled-coil domain | | Descriptor: | DNA REPAIR PROTEIN RECN | | Authors: | Pellegrino, S, Radzimanowski, J, de Sanctis, D, McSweeney, S, Timmins, J. | | Deposit date: | 2011-12-12 | | Release date: | 2012-12-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.041 Å) | | Cite: | Structural and Functional Characterization of an Smc-Like Protein Recn: New Insights Into Double-Strand Break Repair.
Structure, 20, 2012
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4C30
 | | Crystal structure of Deinococcus radiodurans UvrD in complex with DNA, form 2 | | Descriptor: | DNA HELICASE II, DNA STRAND FOR25, DNA STRAND REV25, ... | | Authors: | Stelter, M, Acajjaoui, S, McSweeney, S, Timmins, J. | | Deposit date: | 2013-08-21 | | Release date: | 2013-10-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and Mechanistic Insight Into DNA Unwinding by Deinococcus Radiodurans Uvrd.
Plos One, 8, 2013
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2IMI
 | | Structures of an Insect Epsilon-class Glutathione S-transferase from the Malaria Vector Anopheles Gambiae: Evidence for High DDT-detoxifying Activity | | Descriptor: | Epsilon-class Glutathione S-transferase, GLUTATHIONE | | Authors: | Wang, Y, Hemingway, J, Ranson, H, Meehan, E.J, Chen, L. | | Deposit date: | 2006-10-02 | | Release date: | 2007-10-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of an insect epsilon class glutathione S-transferase from the malaria vector Anopheles gambiae provides an explanation for the high DDT-detoxifying activity
J.Struct.Biol., 164, 2008
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2IL3
 | | Structures of an Insect Epsilon-class Glutathione S-transferase from the Malaria Vector Anopheles Gambiae: Evidence for High DDT-detoxifying Activity | | Descriptor: | Epsilon-class Glutathione S-transferase | | Authors: | Wang, Y, Hemingway, J, Ranson, H, Meehan, E.J, Chen, L. | | Deposit date: | 2006-10-02 | | Release date: | 2007-10-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of an insect epsilon class glutathione S-transferase from the malaria vector Anopheles gambiae provides an explanation for the high DDT-detoxifying activity
J.Struct.Biol., 164, 2008
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2IMK
 | | Structures of an Insect Epsilon-class Glutathione S-transferase from the Malaria Vector Anopheles Gambiae: Evidence for High DDT-detoxifying Activity | | Descriptor: | Epsilon-class Glutathione S-transferase, S-HEXYLGLUTATHIONE | | Authors: | Wang, Y, Hemingway, J, Ranson, H, Meehan, E.J, Chen, L. | | Deposit date: | 2006-10-02 | | Release date: | 2007-10-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of an insect epsilon class glutathione S-transferase from the malaria vector Anopheles gambiae provides an explanation for the high DDT-detoxifying activity
J.Struct.Biol., 164, 2008
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