4X7U
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4X81
| MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with Mg, SAH and mycinamicin VI (MycE substrate) | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, ... | Authors: | Bernard, S.M, Smith, J.L. | Deposit date: | 2014-12-09 | Release date: | 2015-03-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases. Acs Chem.Biol., 10, 2015
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4X7W
| MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and mycinamicin VI (MycE substrate) | Descriptor: | MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, Mycinamicin VI, ... | Authors: | Bernard, S.M, Smith, J.L. | Deposit date: | 2014-12-09 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases. Acs Chem.Biol., 10, 2015
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4X7Z
| MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with Mg, SAH and mycinamicin III (substrate) | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, MYCINAMICIN III, ... | Authors: | Bernard, S.M, Smith, J.L. | Deposit date: | 2014-12-09 | Release date: | 2015-03-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases. Acs Chem.Biol., 10, 2015
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4X7X
| MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and macrocin | Descriptor: | 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5S,6R)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, ... | Authors: | Bernard, S.M, Smith, J.L. | Deposit date: | 2014-12-09 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases. Acs Chem.Biol., 10, 2015
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4X7Y
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4X7V
| MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and mycinamicin IV (product) | Descriptor: | MAGNESIUM ION, MYCINAMICIN IV, Mycinamicin III 3''-O-methyltransferase, ... | Authors: | Bernard, S.M, Smith, J.L. | Deposit date: | 2014-12-09 | Release date: | 2015-03-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases. Acs Chem.Biol., 10, 2015
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5KUY
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5VLI
| Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934) | Descriptor: | 2,5,8,11-TETRAOXATRIDECANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bernard, S.M, Wilson, I.A. | Deposit date: | 2017-04-25 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Massively parallel de novo protein design for targeted therapeutics. Nature, 550, 2017
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8TUC
| Unphosphorylated CaMKK2 in complex with CC-8977 | Descriptor: | (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid, 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 2, ... | Authors: | Bernard, S.M, Shanmugasundaram, V, D'Agostino, L. | Deposit date: | 2023-08-16 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2). J.Med.Chem., 66, 2023
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5IOS
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5IOT
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5IOQ
| Flavin-dependent thymidylate synthase in complex with FAD and deoxyuridine | Descriptor: | 2'-DEOXYURIDINE, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... | Authors: | Bernard, S.M, Stull, F.W, Smith, J.L. | Deposit date: | 2016-03-08 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase. Biochemistry, 55, 2016
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6OC7
| HMP42 Fab in complex with Protein G | Descriptor: | Heavy chain of HMP42 Fab, Immunoglobulin G-binding protein G, Light chain for HMP42 Fab | Authors: | Bernard, S.M, Wilson, I.A. | Deposit date: | 2019-03-22 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.296 Å) | Cite: | A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses. Science, 366, 2019
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5IOR
| Flavin-dependent thymidylate synthase in complex with FAD and 2'-deoxyuridine-5'-monosulfate | Descriptor: | 2'-deoxy-5'-O-sulfouridine, FLAVIN-ADENINE DINUCLEOTIDE, RIBOFLAVIN, ... | Authors: | Bernard, S.M, Stull, F.W, Smith, J.L. | Deposit date: | 2016-03-08 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase. Biochemistry, 55, 2016
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7LA7
| O6 variable lymphocyte receptor ectodomain | Descriptor: | PHOSPHATE ION, variable lymphocyte receptor O6 | Authors: | Bernard, S.M, Wilson, I.A. | Deposit date: | 2021-01-06 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55100727 Å) | Cite: | Novel lamprey antibody recognizes terminal sulfated galactose epitopes on mammalian glycoproteins. Commun Biol, 4, 2021
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7LA8
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5KUX
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4XVZ
| MycF mycinamicin III 3'-O-methyltransferase in complex with Mg | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase | Authors: | Akey, D.L, Smith, J.L. | Deposit date: | 2015-01-28 | Release date: | 2015-03-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases. Acs Chem.Biol., 10, 2015
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4XVY
| MycF mycinamicin III 3'-O-methyltransferase in complex with SAH | Descriptor: | MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Akey, D.L, Smith, J.L. | Deposit date: | 2015-01-28 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases. Acs Chem.Biol., 10, 2015
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6CNW
| STRUCTURE OF HUMANIZED SINGLE DOMAIN ANTIBODY SD84 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, humanized antibody SD84h | Authors: | Luo, J, Obmolova, O. | Deposit date: | 2018-03-09 | Release date: | 2018-11-14 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin. Science, 362, 2018
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5VID
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5VMR
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7GQT
| Crystal Structure of Werner helicase fragment 517-945 in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, MAGNESIUM ION, ... | Authors: | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | Deposit date: | 2023-10-19 | Release date: | 2024-05-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase. Nature, 629, 2024
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7GQU
| Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ... | Authors: | Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G. | Deposit date: | 2023-10-19 | Release date: | 2024-05-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase. Nature, 629, 2024
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