8VP8
 
 | | Cryo-EM structure of the ABC transporter PCAT1 bound with ATP and Substrate | | Descriptor: | ABC-type bacteriocin transporter, ADENOSINE-5'-TRIPHOSPHATE | | Authors: | Zhang, R, Jagessar, K.L, Polasa, A, Brownd, M, Stein, R, Moradi, M, Karakas, E, Mchaourab, H.S. | | Deposit date: | 2024-01-16 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling.
Nat Commun, 15, 2024
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5VII
 | | Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-(3-fluoropropyl)phenyl-ACEPC | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2R)-2-amino-2-carboxyethyl]-1-[4-(3-fluoropropyl)phenyl]-1H-pyrazole-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Mou, T.-C, Conti, P, Pinto, A, Tamborini, L, Sprang, S.R, Hansen, K.B. | | Deposit date: | 2017-04-16 | | Release date: | 2017-04-26 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Structural basis of subunit selectivity for competitive NMDA receptor antagonists with preference for GluN2A over GluN2B subunits.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8VX5
 | | Nucleosome core particle containing an 8-oxoG damage site | | Descriptor: | DNA (167-MER), Histone H2A, Histone H2B 1.1, ... | | Authors: | You, Q, Li, H. | | Deposit date: | 2024-02-03 | | Release date: | 2024-10-09 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Human 8-oxoguanine glycosylase OGG1 binds nucleosome at the dsDNA ends and the super-helical locations.
Commun Biol, 7, 2024
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5I3W
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5I46
 | | Factor VIIA in complex with the inhibitor (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione | | Descriptor: | (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wei, A. | | Deposit date: | 2016-02-11 | | Release date: | 2016-06-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Atropisomer Control in Macrocyclic Factor VIIa Inhibitors.
J.Med.Chem., 59, 2016
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5VE4
 | | Crystal structure of persulfide dioxygenase-rhodanese fusion protein with rhodanese domain inactivating mutation (C314S) from Burkholderia phytofirmans | | Descriptor: | BpPRF, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Motl, N, Skiba, M.A, Smith, J.L, Banerjee, R. | | Deposit date: | 2017-04-03 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural and biochemical analyses indicate that a bacterial persulfide dioxygenase-rhodanese fusion protein functions in sulfur assimilation.
J. Biol. Chem., 292, 2017
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8VOX
 | | Cryo-EM structure of the ABC transporter PCAT1 cysteine-free core bound with MgADP | | Descriptor: | ABC-type bacteriocin transporter, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Zhang, R, Jagessar, K.L, Polasa, A, Brownd, M, Stein, R, Moradi, M, Karakas, E, Mchaourab, H.S. | | Deposit date: | 2024-01-16 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling.
Nat Commun, 15, 2024
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8VBX
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5IDW
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8VOW
 | | Cryo-EM structure of the ABC transporter PCAT1 cysteine-free core bound with MgATP and Vi | | Descriptor: | ABC-type bacteriocin transporter, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Zhang, R, Jagessar, K.L, Polasa, A, Brownd, M, Stein, R, Moradi, M, Karakas, E, Mchaourab, H.S. | | Deposit date: | 2024-01-16 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling.
Nat Commun, 15, 2024
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6VKX
 | | Crystal structure of the carbohydrate-binding domain VP8* of human P[8] rotavirus strain BM13851 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Outer capsid protein VP4, TETRAETHYLENE GLYCOL | | Authors: | Xu, S, McGinnis, K.R, Jiang, X, Kennedy, M.A. | | Deposit date: | 2020-01-22 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5IE1
 | | Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide | | Descriptor: | 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide, Beta-secretase 1, GLYCEROL, ... | | Authors: | Jordan, J.B, Whittington, D.A, Bartberger, M.D, Sickmier, E.A, Chen, K, Cheng, Y, Judd, T. | | Deposit date: | 2016-02-24 | | Release date: | 2016-03-30 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
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5VDV
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8VP6
 | | Cryo-EM structure of the ABC transporter PCAT1 bound with Mg_class_2 | | Descriptor: | ABC-type bacteriocin transporter | | Authors: | Zhang, R, Jagessar, K.L, Polasa, A, Brownd, M, Stein, R, Moradi, M, Karakas, E, Mchaourab, H.S. | | Deposit date: | 2024-01-16 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling.
Nat Commun, 15, 2024
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5IE9
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6VL1
 | | Crystal Structure of the N-prenyltransferase DabA in Complex with NGG and Mg2+ | | Descriptor: | DabA, MAGNESIUM ION, N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-L-glutamic acid | | Authors: | Chekan, J.R, Noel, J.P, Moore, B.S. | | Deposit date: | 2020-01-22 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Algal neurotoxin biosynthesis repurposes the terpene cyclase structural fold into anN-prenyltransferase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8VP3
 | | Cryo-EM structure of the ABC transporter PCAT1 bound with MgADP and Substrate | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxypropyl hexadecanoate, ABC-type bacteriocin transporter, ... | | Authors: | Zhang, R, Jagessar, K.L, Polasa, A, Brownd, M, Stein, R, Moradi, M, Karakas, E, Mchaourab, H.S. | | Deposit date: | 2024-01-16 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling.
Nat Commun, 15, 2024
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5VEA
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8VWS
 | | Nucleosome containing 8oxoG at SHL-6 | | Descriptor: | 601 I strand (non-damaged strand), 601 J strand (damaged strand), Histone H2A type 1, ... | | Authors: | Weaver, T.M, Ling, J.A, Freudenthal, B.D. | | Deposit date: | 2024-02-02 | | Release date: | 2024-10-30 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Contributing factors to the oxidation-induced mutational landscape in human cells.
Nat Commun, 15, 2024
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6VLO
 | | X-ray Structure of the R141 Sugar 4,6-dehydratase from Acanthamoeba polyphaga Minivirus | | Descriptor: | NICKEL (II) ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative dTDP-D-glucose 4,6-dehydratase, ... | | Authors: | Thoden, J.B, Ferek, J.D, Holden, H.M. | | Deposit date: | 2020-01-24 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Biochemical analysis of a sugar 4,6-dehydratase from Acanthamoeba polyphaga Mimivirus.
Protein Sci., 29, 2020
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8VP9
 | | Cryo-EM structure of the cysteine-free ABC transporter PCAT1 bound with ADP and Substrate | | Descriptor: | 3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxypropyl hexadecanoate, ABC-type bacteriocin transporter, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Zhang, R, Jagessar, K.L, Polasa, A, Brownd, M, Stein, R, Moradi, M, Karakas, E, Mchaourab, H.S. | | Deposit date: | 2024-01-16 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling.
Nat Commun, 15, 2024
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7ZNM
 | | Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 2.01 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Artificial Unspecific Peroxygenase, ... | | Authors: | Robinson, W.X.Q, Mielke, T, Grogan, G. | | Deposit date: | 2022-04-21 | | Release date: | 2023-03-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
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5VIK
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5IES
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7LTP
 | | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | | Deposit date: | 2021-02-19 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution.
To be Published
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