8E6K
| 2H08 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2H08 fragment antigen binding heavy chain, 2H08 fragment antigen binding light chain, ... | Authors: | Turner, H.L, Ozorowski, G, Ward, A.B. | Deposit date: | 2022-08-22 | Release date: | 2023-08-09 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo. Immunity, 56, 2023
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8E6J
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6U0S
| Crystal structure of the flavin-dependent monooxygenase PieE in complex with FAD and substrate | Descriptor: | 2,4-dichlorophenol 6-monooxygenase, 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol, CHLORIDE ION, ... | Authors: | Shi, R, Manenda, M. | Deposit date: | 2019-08-14 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations. J.Biol.Chem., 295, 2020
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6U0P
| Crystal structure of PieE, the flavin-dependent monooxygenase involved in the biosynthesis of piericidin A1 | Descriptor: | 2,4-dichlorophenol 6-monooxygenase, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Shi, R, Manenda, M, Picard, M.-E. | Deposit date: | 2019-08-14 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations. J.Biol.Chem., 295, 2020
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6UQV
| Crystal structure of ChoE, a bacterial acetylcholinesterase from Pseudomonas aeruginosa | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BUTANOIC ACID, CHLORIDE ION, ... | Authors: | Shi, R, Pham, V.D, To, T.A. | Deposit date: | 2019-10-21 | Release date: | 2020-05-13 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism. J.Biol.Chem., 295, 2020
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6UQX
| Crystal structure of ChoE in complex with propionylthiocholine | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ChoE, IODIDE ION, ... | Authors: | Pham, V.D, Shi, R. | Deposit date: | 2019-10-21 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism. J.Biol.Chem., 295, 2020
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6UQW
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6UR1
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6UQZ
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6UR0
| Crystal structure of ChoE D285N mutant acyl-enzyme | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ChoE, GLYCEROL | Authors: | Pham, V.D, Shi, R. | Deposit date: | 2019-10-21 | Release date: | 2020-05-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism. J.Biol.Chem., 295, 2020
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6UQY
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5I29
| TAF1(2) bound to a pyrrolopyridone compound | Descriptor: | CALCIUM ION, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1 | Authors: | Tang, Y, Poy, F, Bellon, S.F. | Deposit date: | 2016-02-08 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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5I88
| BRD4 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide) | Descriptor: | 1,2-ETHANEDIOL, 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 4, ... | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-10-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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5I80
| BRD4 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-10-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4501 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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5I7Y
| BRD9 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide) | Descriptor: | 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 9 | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-10-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4514 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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6OIM
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6OC3
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4QGE
| phosphodiesterase-9A in complex with inhibitor WYQ-C36D | Descriptor: | MAGNESIUM ION, N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide, Phosphodiesterase 9A, ... | Authors: | Shao, Y.-X, Huang, M, Cui, W, Ke, H. | Deposit date: | 2014-05-22 | Release date: | 2014-12-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a Phosphodiesterase 9A Inhibitor as a Potential Hypoglycemic Agent. J.Med.Chem., 57, 2014
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6P5Q
| X-ray structure of Fe(II)-soaked UndA bound to lauric acid | Descriptor: | FE (III) ION, GLYCEROL, LAURIC ACID, ... | Authors: | Rajakovich, L.J, Mitchell, A.J, Boal, A.K. | Deposit date: | 2019-05-30 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Substrate-Triggered Formation of a Peroxo-Fe2(III/III) Intermediate during Fatty Acid Decarboxylation by UndA. J.Am.Chem.Soc., 141, 2019
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6P77
| 2.5 Angstrom structure of Caci_6494 from Catenulispora Acidiphila | Descriptor: | Aromatic-ring-hydroxylating dioxygenase beta subunit, GLYCEROL, TETRAETHYLENE GLYCOL, ... | Authors: | Vuksanovic, N, Silvaggi, N.R. | Deposit date: | 2019-06-05 | Release date: | 2020-06-17 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structural characterization of three noncanonical NTF2-like superfamily proteins: implications for polyketide biosynthesis. Acta Crystallogr.,Sect.F, 76, 2020
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6P7L
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6OBZ
| Crystal structure of FluA-20 Fab | Descriptor: | Heavy chain of FluA-20 Fab, Light chain of FluA-20 Fab, Immunoglobulin light chain | Authors: | Wilson, I.A, Lang, S. | Deposit date: | 2019-03-21 | Release date: | 2019-05-15 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A Site of Vulnerability on the Influenza Virus Hemagglutinin Head Domain Trimer Interface. Cell, 177, 2019
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5I7X
| BRD9 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide) | Descriptor: | Bromodomain-containing protein 9, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-10-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.1752 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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6OCB
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9C0D
| E.Faecium GroEL | Descriptor: | Chaperonin GroEL | Authors: | Watson, E.R, Lander, G.C. | Deposit date: | 2024-05-25 | Release date: | 2024-08-07 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | Bis-sulfonamido-2-phenylbenzoxazoles Validate the GroES/EL Chaperone System as a Viable Antibiotic Target. J.Am.Chem.Soc., 146, 2024
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