3RNA
 
 | | Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase T201S/I100W Double Mutant | | Descriptor: | FE (III) ION, HYDROXIDE ION, Toluene o-xylene monooxygenase component | | Authors: | Gucinski, G, Song, W.J, Lippard, S.J, Sazinsky, M.H. | | Deposit date: | 2011-04-22 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Tracking a defined route for O2 migration in a dioxygen-activating diiron enzyme.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3RNC
 | | Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase T201S/I100A Double Mutant | | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, HYDROXIDE ION, ... | | Authors: | Gucinski, G, Song, W.J, Lippard, S.J, Sazinsky, M.H. | | Deposit date: | 2011-04-22 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Tracking a defined route for O2 migration in a dioxygen-activating diiron enzyme.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3RNF
 | | Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase T201S/V271A Double Mutant | | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Gucinski, G, Song, W.J, Lippard, S.J, Sazinsky, M.H. | | Deposit date: | 2011-04-22 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Tracking a defined route for O2 migration in a dioxygen-activating diiron enzyme.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4D08
 | | PDE2a catalytic domain in complex with a brain penetrant inhibitor | | Descriptor: | 1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline, CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, ... | | Authors: | Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. | | Deposit date: | 2014-04-24 | | Release date: | 2014-08-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Acs Med.Chem.Lett., 5, 2014
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2M4N
 | | Solution structure of the putative Ras interaction domain of AFD-1, isoform a from Caenorhabditis elegans | | Descriptor: | Protein AFD-1, isoform a | | Authors: | Harris, R, Hillerich, B, Ahmed, M, Bonanno, J.B, Chamala, S, Evans, B, Lafleur, J, Hammonds, J, Washington, E, Stead, M, Love, J, Attonito, J, Seidel, R.D, Liddington, R.C, Weis, W.I, Nelson, W.J, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Assembly, Dynamics and Evolution of Cell-Cell and Cell-Matrix Adhesions (CELLMAT) | | Deposit date: | 2013-02-07 | | Release date: | 2013-03-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the putative Ras interaction domain of AFD-1, isoform a from Caenorhabditis elegans
To be Published
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3RN9
 | | Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase T201S/L272E Double Mutant | | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, HYDROXIDE ION, ... | | Authors: | Gucinski, G, Song, W.J, Lippard, S.J, Sazinsky, M.H. | | Deposit date: | 2011-04-22 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Tracking a defined route for O2 migration in a dioxygen-activating diiron enzyme.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3RNE
 | | Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase T201S/I276E Double Mutant | | Descriptor: | FE (III) ION, HYDROXIDE ION, Toluene o-xylene monooxygenase component | | Authors: | Gucinski, G, Song, W.J, Lippard, S.J, Sazinsky, M.H. | | Deposit date: | 2011-04-22 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tracking a defined route for O2 migration in a dioxygen-activating diiron enzyme.
Proc.Natl.Acad.Sci.USA, 108, 2011
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1Q3H
 | | mouse CFTR NBD1 with AMP.PNP | | Descriptor: | ACETIC ACID, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ... | | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | | Deposit date: | 2003-07-29 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
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3RNB
 | | Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase T201S/F176W Double Mutant | | Descriptor: | FE (III) ION, HYDROXIDE ION, SULFATE ION, ... | | Authors: | Gucinski, G, Song, W.J, Lippard, S.J, Sazinsky, M.H. | | Deposit date: | 2011-04-22 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Tracking a defined route for O2 migration in a dioxygen-activating diiron enzyme.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2UWE
 | | Large CDR3a loop alteration as a function of MHC mutation | | Descriptor: | AHIII TCR ALPHA CHAIN, AHIII TCR BETA CHAIN, BETA-2-MICROGLOBULIN, ... | | Authors: | Miller, P.J, Pazy, Y, Conti, B, Riddle, D, Biddison, W.E, Appella, E, Collins, E.J. | | Deposit date: | 2007-03-20 | | Release date: | 2007-09-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Single Mhc Mutation Eliminates Enthalpy Associated with T Cell Receptor Binding.
J.Mol.Biol., 373, 2007
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1UMU
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3RNG
 | | Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase T201S/W167E Double Mutant | | Descriptor: | FE (III) ION, HYDROXIDE ION, Toluene o-xylene monooxygenase component | | Authors: | Gucinski, G, Song, W.J, Lippard, S.J, Sazinsky, M.H. | | Deposit date: | 2011-04-22 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Tracking a defined route for O2 migration in a dioxygen-activating diiron enzyme.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5U8J
 | | Crystal structure of a protein of unknown function ECL_02571 involved in membrane biogenesis from Enterobacter cloacae | | Descriptor: | CHLORIDE ION, UPF0502 protein BFJ73_07745 | | Authors: | Stogios, P.J, Skarina, T, Sandoval, J, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-12-14 | | Release date: | 2017-01-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Crystal structure of a protein of unknown function ECL_02571 involved in membrane biogenesis from Enterobacter cloacae
To Be Published
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7K7R
 | | EBNA1 peptide AA386-405 with Fab MS39p2w174 | | Descriptor: | CHLORIDE ION, EBNA1 peptide AA386-405, Fab HC MS39p2w174, ... | | Authors: | Lanz, T.V, Robinson, W.H, Jude, K.M. | | Deposit date: | 2020-09-23 | | Release date: | 2022-01-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Clonally expanded B cells in multiple sclerosis bind EBV EBNA1 and GlialCAM.
Nature, 603, 2022
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5T07
 | | Crystal structure of a putative acyl-CoA thioesterase EC709/ECK0725 from Escherichia coli in complex with Decanoyl-CoA | | Descriptor: | Acyl-CoA thioester hydrolase YbgC, decanoyl-CoA | | Authors: | Watanabe, N, Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-08-15 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.717 Å) | | Cite: | Crystal structure of a putative acyl-CoA thioesterase EC709/ECK0725 from Escherichia coli in complex with Decanoyl-CoA
To be published
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1M6F
 | | Strong Binding in the DNA Minor Groove by an Aromatic Diamidine With a Shape That Does Not Match the Curvature of the Groove | | Descriptor: | 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Nguyen, B, Lee, M.P.H, Hamelberg, D, Joubert, A, Bailly, C, Brun, R, Neidle, S, Wilson, W.D. | | Deposit date: | 2002-07-16 | | Release date: | 2002-11-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Strong Binding in the DNA Minor Groove by an Aromatic Diamidine With a Shape That Does Not Match the Curvature of the Groove
J.Am.Chem.Soc., 124, 2002
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5UE7
 | | Crystal structure of the phosphomannomutase PMM1 from Candida albicans, apoenzyme state | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Phosphomannomutase | | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-12-29 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of the phosphomannomutase PMM1 from Candida albicans, apoenzyme state
To Be Published
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5UF8
 | | Crystal structure of the ARF family small GTPase ARF2 from Candida albicans in complex with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Potential ADP-ribosylation factor | | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-01-03 | | Release date: | 2017-01-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.872 Å) | | Cite: | Crystal structure of the ARF family small GTPase ARF2 from Candida albicans in complex with GDP
To Be Published
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1VRK
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4D09
 | | PDE2a catalytic domain in complex with a brain penetrant inhibitor | | Descriptor: | CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, MAGNESIUM ION, ... | | Authors: | Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. | | Deposit date: | 2014-04-24 | | Release date: | 2014-08-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Acs Med.Chem.Lett., 5, 2014
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1R0Z
 | | Phosphorylated Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP | | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | | Deposit date: | 2003-09-23 | | Release date: | 2003-12-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
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4EIS
 | | Structural basis for substrate targeting and catalysis by fungal polysaccharide monooxygenases (PMO-3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, PEROXIDE ION, ... | | Authors: | Li, X, Beeson, W.T, Phillips, C.M, Marletta, M.A, Cate, J.H. | | Deposit date: | 2012-04-05 | | Release date: | 2012-05-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structural basis for substrate targeting and catalysis by fungal polysaccharide monooxygenases.
Structure, 20, 2012
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5UXD
 | | Crystal structure of macrolide 2'-phosphotransferase MphH from Brachybacterium faecium in complex with azithromycin | | Descriptor: | AZITHROMYCIN, CHLORIDE ION, Macrolide 2'-phosphotransferase MphH, ... | | Authors: | Stogios, P.J, Skarina, T, Wawrzak, Z, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-02-22 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The evolution of substrate discrimination in macrolide antibiotic resistance enzymes.
Nat Commun, 9, 2018
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4JNF
 | | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP | | Descriptor: | Hsp70 CHAPERONE DnaK | | Authors: | Qi, R, Sarbeng, E.B, Liu, Q, Le, K.Q, Xu, X, Xu, H, Yang, J, Wong, J.L, Vorvis, C, Hendrickson, W.A, Zhou, L, Liu, Q. | | Deposit date: | 2013-03-15 | | Release date: | 2013-05-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.621 Å) | | Cite: | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP.
Nat.Struct.Mol.Biol., 20, 2013
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2PZB
 | | NAD+ Synthetase from Bacillus anthracis | | Descriptor: | NH(3)-dependent NAD(+) synthetase, SULFATE ION | | Authors: | McDonald, H.M, Pruett, P.S, Deivanayagam, C, Protasevich, I.I, Carson, W.M, DeLucas, L.J, Brouillette, W.J, Brouillette, C.G. | | Deposit date: | 2007-05-17 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural adaptation of an interacting non-native C-terminal helical extension revealed in the crystal structure of NAD(+) synthetase from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 63, 2007
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