3R5Z
 
 | | Structure of a Deazaflavin-dependent reductase from Nocardia farcinica, with co-factor F420 | | Descriptor: | COENZYME F420, Putative uncharacterized protein, SULFATE ION | | Authors: | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | | Deposit date: | 2011-03-20 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.503 Å) | | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
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3U8P
 | | Cytochrome b562 integral fusion with EGFP | | Descriptor: | Cytochrome b562 integral fusion with enhanced green fluorescent protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Arpino, J, Czapinska, H, Piasecka, A, Edwards, W.R, Barker, P, Gajda, M, Bochtler, M, Jones, D.D. | | Deposit date: | 2011-10-17 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural basis for efficient chromophore communication and energy transfer in a constructed didomain protein scaffold.
J.Am.Chem.Soc., 134, 2012
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3R5L
 | | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Deazaflavin-dependent nitroreductase | | Authors: | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayyar, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | | Deposit date: | 2011-03-18 | | Release date: | 2012-01-18 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
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4DKP
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-50 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide, ... | | Authors: | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | | Deposit date: | 2012-02-03 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7978 Å) | | Cite: | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
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4DKO
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with TS-II-224 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... | | Authors: | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | | Deposit date: | 2012-02-03 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
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4DKR
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-169 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... | | Authors: | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | | Deposit date: | 2012-02-03 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
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4DKQ
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with DMJ-I-228 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(1S,2S)-2-carbamimidamido-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide, ... | | Authors: | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | | Deposit date: | 2012-02-03 | | Release date: | 2012-05-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.888 Å) | | Cite: | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
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3Q8I
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3QBZ
 | | Crystal structure of the Rad53-recognition domain of Saccharomyces cerevisiae Dbf4 | | Descriptor: | DDK kinase regulatory subunit DBF4, SULFATE ION | | Authors: | Matthews, L.A, Jones, D.R, Prasad, A.A, Duncker, B.P, Guarne, A. | | Deposit date: | 2011-01-14 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.692 Å) | | Cite: | Saccharomyces cerevisiae Dbf4 has unique fold necessary for interaction with Rad53 kinase.
J.Biol.Chem., 287, 2012
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3V2L
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5ANS
 | | Potent and selective inhibitors of MTH1 probe its role in cancer cell survival | | Descriptor: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | | Authors: | Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L. | | Deposit date: | 2015-09-08 | | Release date: | 2016-03-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
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5ANT
 | | Potent and selective inhibitors of MTH1 probe its role in cancer cell survival | | Descriptor: | 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | | Authors: | Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L. | | Deposit date: | 2015-09-08 | | Release date: | 2016-03-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
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5A29
 | | Family 2 Pectate Lyase from Vibrio vulnificus | | Descriptor: | 1,2-ETHANEDIOL, EXOPOLYGALACTURONATE LYASE, MANGANESE (II) ION, ... | | Authors: | McLean, R, Hobbs, J.K, Suits, M.D, Tuomivaara, S, Jones, D, Boraston, A.B, Abbott, D.W. | | Deposit date: | 2015-05-15 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional Analyses of Resurrected and Contemporary Enzymes Illuminate an Evolutionary Path for the Emergence of Exolysis in Polysaccharide Lyase Family 2.
J.Biol.Chem., 290, 2015
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5BT0
 | | Switching GFP fluorescence using genetically encoded phenyl azide chemistry through two different non-native post-translational modifications routes at the same position. | | Descriptor: | Green fluorescent protein, SULFATE ION | | Authors: | Hartley, A.M, Worthy, H.L, Reddington, S.C, Rizkallah, P.J, Jones, D.D. | | Deposit date: | 2015-06-02 | | Release date: | 2016-07-13 | | Last modified: | 2017-05-10 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Molecular basis for functional switching of GFP by two disparate non-native post-translational modifications of a phenyl azide reaction handle.
Chem Sci, 7, 2016
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5BTT
 | | Switching GFP fluorescence using genetically encoded phenyl azide chemistry through two different non-native post-translational modifications routes at the same position. | | Descriptor: | GLYCEROL, Green fluorescent protein, SULFATE ION | | Authors: | Hartley, A.M, Worthy, H.L, Reddington, S.C, Rizkallah, P.J, Jones, D.D. | | Deposit date: | 2015-06-03 | | Release date: | 2016-07-13 | | Last modified: | 2017-05-10 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Molecular basis for functional switching of GFP by two disparate non-native post-translational modifications of a phenyl azide reaction handle.
Chem Sci, 7, 2016
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1QYP
 | | THERMOCOCCUS CELER RPB9, NMR, 25 STRUCTURES | | Descriptor: | RNA POLYMERASE II, ZINC ION | | Authors: | Wang, B, Jones, D.N.M, Kaine, B.P, Weiss, M.A. | | Deposit date: | 1997-08-19 | | Release date: | 1997-12-24 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | High-resolution structure of an archaeal zinc ribbon defines a general architectural motif in eukaryotic RNA polymerases.
Structure, 6, 1998
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2GTE
 | | Drosophila OBP LUSH bound to attractant pheromone 11-cis-vaccenyl acetate | | Descriptor: | (Z)-OCTADEC-11-ENYL ACETATE, General odorant-binding protein lush, PHOSPHATE ION | | Authors: | Laughlin, J.D, Ha, T, Smith, D.P, Jones, D.N.M. | | Deposit date: | 2006-04-27 | | Release date: | 2007-06-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Activation of pheromone-sensitive neurons is mediated by conformational activation of pheromone-binding protein
Cell(Cambridge,Mass.), 133, 2008
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1T14
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1OOF
 | | Complex of Drosophila odorant binding protein LUSH with ethanol | | Descriptor: | ACETATE ION, ETHANOL, odorant binding protein LUSH | | Authors: | Kruse, S.W, Zhao, R, Smith, D.P, Jones, D.N.M. | | Deposit date: | 2003-03-03 | | Release date: | 2003-09-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure of a specific alcohol-binding site defined by the odorant binding protein LUSH from Drosophila melanogaster
Nat.Struct.Biol., 10, 2003
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1OOH
 | | Complex of Drosophila odorant binding protein LUSH with butanol | | Descriptor: | 1-BUTANOL, ACETATE ION, odorant binding protein LUSH | | Authors: | Kruse, S.W, Zhao, R, Smith, D.P, Jones, D.N.M. | | Deposit date: | 2003-03-03 | | Release date: | 2003-09-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structure of a specific alcohol-binding site defined by the odorant binding protein LUSH from Drosophila melanogaster
Nat.Struct.Biol., 10, 2003
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1OOG
 | | Complex of Drosophila odorant binding protein LUSH with propanol | | Descriptor: | ACETATE ION, N-PROPANOL, odorant binding protein LUSH | | Authors: | Kruse, S.W, Zhao, R, Smith, D.P, Jones, D.N.M. | | Deposit date: | 2003-03-03 | | Release date: | 2003-09-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of a specific alcohol-binding site defined by the odorant binding protein LUSH from Drosophila melanogaster
Nat.Struct.Biol., 10, 2003
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1OOI
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7KG3
 | | Crystal structure of CoV-2 Nsp3 Macrodomain | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, MALONATE ION, ... | | Authors: | Arvai, A, Brosey, C.A, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A. | | Deposit date: | 2020-10-15 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
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7KG1
 | | Structure of human PARG complexed with PARG-002 | | Descriptor: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione, CACODYLATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | | Deposit date: | 2020-10-15 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
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7KG7
 | | Structure of human PARG complexed with PARG-292 | | Descriptor: | 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, DIMETHYL SULFOXIDE, Poly(ADP-ribose) glycohydrolase, ... | | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | | Deposit date: | 2020-10-16 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
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