4KC7
 
 | | Crystal Structure of Endo-1,5-alpha-L-arabinanase from Thermotoga petrophila RKU-1 | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Glycoside hydrolase, ... | | Authors: | Nascimento, A.F.Z, Polo, C.C, Santos, C.R, Costa, M.C.M.F, Mesa, A.N, Prade, R.A, Ruller, R, Squina, F.M, Murakami, M.T. | | Deposit date: | 2013-04-24 | | Release date: | 2014-02-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Mechanistic strategies for catalysis adopted by evolutionary distinct family 43 arabinanases.
J.Biol.Chem., 289, 2014
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6XE3
 | | Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site. | | Descriptor: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2020-06-11 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site.
To be Published
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5T5T
 | | AMPK bound to allosteric activator | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Calabrese, M.F, Kurumbail, R.G. | | Deposit date: | 2016-08-31 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | Selective Activation of AMPK beta 1-Containing Isoforms Improves Kidney Function in a Rat Model of Diabetic Nephropathy.
J. Pharmacol. Exp. Ther., 361, 2017
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6XIN
 | | The crystal structure of tryptophan synthase from Salmonella enterica serovar typhimurium in complex with (2S)-3-Amino-3-imino-2-phenyldiazenylpropanamide at the enzyme alpha-site. | | Descriptor: | (2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide, 1,2-ETHANEDIOL, CESIUM ION, ... | | Authors: | Hilario, E, Chang, C, Mueller, L.J, Dunn, M.F, Fan, L. | | Deposit date: | 2020-06-20 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The crystal structure of tryptophan synthase from Salmonella enterica serovar typhimurium in complex with (2S)-3-Amino-3-imino-2-phenyldiazenylpropanamide at the enzyme alpha-site.
To Be Published
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6XSY
 | | The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine (KOU) at the beta-site | | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... | | Authors: | Hilario, E, Mueller, L.J, Dunn, M.F. | | Deposit date: | 2020-07-16 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A with inhibitor 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine (KOU) at the beta-site.
To be Published
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5TIF
 | | x-ray structure of acyl-CoA thioesterase I, TesA, triple mutant M141L/Y145K/L146K in complex with octanoic acid | | Descriptor: | Acyl-CoA thioesterase I, DI(HYDROXYETHYL)ETHER, OCTANOIC ACID (CAPRYLIC ACID) | | Authors: | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | | Deposit date: | 2016-10-02 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids.
ACS Catal, 7, 2017
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6Y3Y
 | | Human Coronavirus HKU1 Haemagglutinin-Esterase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ... | | Authors: | Hurdiss, D.L, Drulyte, I, Pronker, M.F. | | Deposit date: | 2020-02-19 | | Release date: | 2020-04-08 | | Last modified: | 2020-09-30 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Cryo-EM structure of coronavirus-HKU1 haemagglutinin esterase reveals architectural changes arising from prolonged circulation in humans.
Nat Commun, 11, 2020
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7Q0U
 | | Lysozyme soaked with V(IV)OSO4 and bipy | | Descriptor: | 2,2'-bipyridine, ACETATE ION, CHLORIDE ION, ... | | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | | Deposit date: | 2021-10-16 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
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7Q0V
 | | Lysozyme soaked with V(IV)OSO4 and phen | | Descriptor: | 1,10-PHENANTHROLINE, ACETATE ION, CHLORIDE ION, ... | | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | | Deposit date: | 2021-10-16 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
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7Q0X
 | | Bovine Trypsin co-crystallized with V(IV)OSO4 and pic | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | | Deposit date: | 2021-10-16 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
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7Q0W
 | | Bovine Trypsin co-crystallized with V(IV)OSO4 and phen | | Descriptor: | 1,10-PHENANTHROLINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | | Deposit date: | 2021-10-16 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
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7Q0T
 | | Lysozyme soaked with V(IV)OSO4 | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | | Deposit date: | 2021-10-16 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
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7PIZ
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4L9P
 | | Crystal structure of Aspergillus fumigatus protein farnesyltransferase complexed with the FII analog, FPT-II, and the KCVVM peptide | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CaaX farnesyltransferase alpha subunit Ram2, ... | | Authors: | Mabanglo, M.F, Hast, M.A, Beese, L.S. | | Deposit date: | 2013-06-18 | | Release date: | 2014-01-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014
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8GJM
 | | 17b10 fab in complex with full-length SARS-CoV-2 Spike G614 trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H. | | Deposit date: | 2023-03-16 | | Release date: | 2023-04-05 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2.
J Med Virol, 95, 2023
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8GJN
 | | 17B10 fab in complex with up-RBD of SARS-CoV-2 Spike G614 trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 17B10 Fab, Light chain of 17B10 Fab, ... | | Authors: | Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H. | | Deposit date: | 2023-03-16 | | Release date: | 2023-04-05 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2.
J Med Virol, 95, 2023
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4LNG
 | | Aspergillus fumigatus protein farnesyltransferase complex with farnesyldiphosphate and tipifarnib | | Descriptor: | 1,2-ETHANEDIOL, 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, CaaX farnesyltransferase alpha subunit Ram2, ... | | Authors: | Mabanglo, M.F, Hast, M.A, Beese, L.S. | | Deposit date: | 2013-07-11 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014
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5TIC
 | | X-ray structure of wild-type E. coli Acyl-CoA thioesterase I at pH 5 | | Descriptor: | Acyl-CoA thioesterase I, CHLORIDE ION | | Authors: | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | | Deposit date: | 2016-10-02 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids.
ACS Catal, 7, 2017
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4LNB
 | | Aspergillus fumigatus protein farnesyltransferase ternary complex with farnesyldiphosphate and ethylenediamine scaffold inhibitor 5 | | Descriptor: | 1,2-ETHANEDIOL, CaaX farnesyltransferase alpha subunit Ram2, CaaX farnesyltransferase beta subunit Ram1, ... | | Authors: | Mabanglo, M.F, Hast, M.A, Beese, L.S. | | Deposit date: | 2013-07-11 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014
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7Z0V
 | | A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability | | Descriptor: | CHLORIDE ION, COBALT (II) ION, Nitrile hydratase, ... | | Authors: | Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T. | | Deposit date: | 2022-02-23 | | Release date: | 2023-03-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Engineering enhanced thermostability into the Geobacillus pallidus nitrile hydratase.
Curr Res Struct Biol, 4, 2022
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5TIE
 | | x-ray structure of acyl-CoA thioesterase I, TesA, mutant M141L/Y145K/L146K at pH 7.5 in complex with octanoic acid | | Descriptor: | Acyl-CoA thioesterase I, OCTANOIC ACID (CAPRYLIC ACID) | | Authors: | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | | Deposit date: | 2016-10-02 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids.
ACS Catal, 7, 2017
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7YID
 | | Human KCNH5 closed state 1 | | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily H member 5 | | Authors: | Zhang, M.F. | | Deposit date: | 2022-07-16 | | Release date: | 2023-04-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Mechanism underlying delayed rectifying in human voltage-mediated activation Eag2 channel.
Nat Commun, 14, 2023
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7YIJ
 | | Human KCNH5 pore dilation but the non-conducting state | | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily H member 5 | | Authors: | Zhang, M.F. | | Deposit date: | 2022-07-16 | | Release date: | 2023-04-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Mechanism underlying delayed rectifying in human voltage-mediated activation Eag2 channel.
Nat Commun, 14, 2023
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7YIG
 | | Human KCNH5 pre-open state 2 | | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily H member 5 | | Authors: | Zhang, M.F. | | Deposit date: | 2022-07-16 | | Release date: | 2023-04-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Mechanism underlying delayed rectifying in human voltage-mediated activation Eag2 channel.
Nat Commun, 14, 2023
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7YIH
 | | Human KCNH5 open state | | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily H member 5 | | Authors: | Zhang, M.F. | | Deposit date: | 2022-07-16 | | Release date: | 2023-04-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Mechanism underlying delayed rectifying in human voltage-mediated activation Eag2 channel.
Nat Commun, 14, 2023
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