5W0H
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5KBZ
| Structure of the PksA Product Template domain in complex with a phosphopantetheine mimetic | Descriptor: | (14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate, Noranthrone synthase | Authors: | Tsai, S.C, Burkart, M.D, Townsend, C.A, Barajas, J.F, Shakya, G, Topper, C.L, Moreno, G, Jackson, D.R, Rivera, H, La Clair, J.J, Vagstad, A. | Deposit date: | 2016-06-03 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Polyketide mimetics yield structural and mechanistic insights into product template domain function in nonreducing polyketide synthases. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6DBG
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5KDP
| E491A mutant of choline TMA-lyase | Descriptor: | Choline trimethylamine-lyase, MALONATE ION, SODIUM ION | Authors: | Funk, M.A, Drennan, C.L. | Deposit date: | 2016-06-08 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase. Cell Chem Biol, 23, 2016
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7S65
| Compressed conformation of nighttime state KaiC | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, ... | Authors: | Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C. | Deposit date: | 2021-09-13 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Coupling of distant ATPase domains in the circadian clock protein KaiC. Nat.Struct.Mol.Biol., 29, 2022
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7S66
| Extended conformation of nighttime state KaiC | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION | Authors: | Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C. | Deposit date: | 2021-09-13 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Coupling of distant ATPase domains in the circadian clock protein KaiC. Nat.Struct.Mol.Biol., 29, 2022
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7S67
| Extended conformation of daytime state KaiC | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, ... | Authors: | Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C. | Deposit date: | 2021-09-13 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Coupling of distant ATPase domains in the circadian clock protein KaiC. Nat.Struct.Mol.Biol., 29, 2022
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5W0G
| Structure of U2AF65 (U2AF2) RRM1 at 1.07 resolution | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ACETATE ION, Splicing factor U2AF 65 kDa subunit, ... | Authors: | Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L. | Deposit date: | 2017-05-30 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Cancer-Associated Mutations Mapped on High-Resolution Structures of the U2AF2 RNA Recognition Motifs. Biochemistry, 56, 2017
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5W1F
| Crystal structure of Ni(II)- and Ca(II)-bound human calprotectin | Descriptor: | CALCIUM ION, NICKEL (II) ION, Protein S100-A8, ... | Authors: | Nakashige, T.G, Drennan, C.L, Nolan, E.M. | Deposit date: | 2017-06-03 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Nickel Sequestration by the Host-Defense Protein Human Calprotectin. J. Am. Chem. Soc., 139, 2017
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5WDR
| Choanoflagellate Salpingoeca rosetta Ras with GMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras protein, ... | Authors: | Kondo, Y, Gee, C.L, Kuriyan, J. | Deposit date: | 2017-07-05 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
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5WLV
| Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide | Descriptor: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Lomelino, C.L, Andring, J.T, McKenna, R. | Deposit date: | 2017-07-27 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy. J. Med. Chem., 61, 2018
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5KNM
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5WLR
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6FXD
| Crystal structure of MupZ from Pseudomonas fluorescens | Descriptor: | MupZ | Authors: | Wang, L, Parnell, A, Williams, C, Bakar, N.A, van der Kamp, M.W, Simpson, T.J, Race, P.R, Crump, M.P, Willis, C.L. | Deposit date: | 2018-03-08 | Release date: | 2019-03-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A Rieske oxygenase/epoxide hydrolase-catalysed reaction cascade creates oxygen heterocycles in mupirocin biosynthesis Nat Catal, 2018
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7SA9
| Human MUC16 SEA5 Domain | Descriptor: | Mucin-16 | Authors: | Brooks, C.L, White, B. | Deposit date: | 2021-09-22 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal structure of a human MUC16 SEA domain reveals insight into the nature of the CA125 tumor marker. Proteins, 90, 2022
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6G6Y
| Eg5-inhibitor complex | Descriptor: | (~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Talapatra, S.K, Kozielski, F, Tham, C.L. | Deposit date: | 2018-04-03 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors. Eur J Med Chem, 156, 2018
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5L8B
| Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant E62A | Descriptor: | CALCIUM ION, Uncharacterized protein | Authors: | He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J. | Deposit date: | 2016-06-07 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments. Elife, 5, 2016
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5KXI
| X-ray structure of the human Alpha4Beta2 nicotinic receptor | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuronal acetylcholine receptor subunit alpha-4, ... | Authors: | Morales-Perez, C.L, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2016-07-20 | Release date: | 2016-09-28 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (3.941 Å) | Cite: | X-ray structure of the human alpha 4 beta 2 nicotinic receptor. Nature, 538, 2016
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5L89
| Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant E32A | Descriptor: | CALCIUM ION, Rru_A0973 | Authors: | He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J. | Deposit date: | 2016-06-07 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments. Elife, 5, 2016
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5VNZ
| Structure of a TRAF6-Ubc13~Ub complex | Descriptor: | TNF receptor-associated factor 6, Ubiquitin, Ubiquitin-conjugating enzyme E2 N, ... | Authors: | Middleton, A.J, Day, C.L. | Deposit date: | 2017-05-01 | Release date: | 2017-12-06 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | The activity of TRAF RING homo- and heterodimers is regulated by zinc finger 1. Nat Commun, 8, 2017
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6DDX
| Crystal structure of the double mutant (D52N/L375F) of NT5C2-537X in the active state, Northeast Structural Genomics Target | Descriptor: | Cytosolic purine 5'-nucleotidase, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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5VRH
| Apolipoprotein N-acyltransferase C387S active site mutant | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, ... | Authors: | Murray, J.M, Noland, C.L. | Deposit date: | 2017-05-10 | Release date: | 2017-07-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | Structural insights into lipoprotein N-acylation by Escherichia coli apolipoprotein N-acyltransferase. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6DDY
| Crystal structure of the double mutant (D52N/K359Q) of NT5C2-537X in the active state, Northeast Structural Genomics Target | Descriptor: | Cytosolic purine 5'-nucleotidase, GLYCEROL, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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5VRG
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5WGP
| Human Carbonic Anhydrase IX-mimic complexed with AceK | Descriptor: | Acesulfame, Carbonic anhydrase 2, ZINC ION | Authors: | Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R. | Deposit date: | 2017-07-14 | Release date: | 2018-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | "Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms. J. Med. Chem., 61, 2018
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