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8VP8
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BU of 8vp8 by Molmil
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
5VII
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BU of 5vii by Molmil
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
8VX5
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BU of 8vx5 by Molmil
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
5I3W
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BU of 5i3w by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene inhibitor 2
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2016-02-11
Release date:2016-03-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.15 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
5I46
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BU of 5i46 by Molmil
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
5VE4
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BU of 5ve4 by Molmil
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
8VOX
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BU of 8vox by Molmil
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
8VBX
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BU of 8vbx by Molmil
C6 nozzle and fibre complex of the mature bacteriophage PhiM1 particle
Descriptor: Tail fiber (gp47), Tail nozzle (gp51)
Authors:Hodgkinson-Bean, J, Eruera, A.
Deposit date:2023-12-12
Release date:2024-10-23
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Ejectosome of Pectobacterium bacteriophage Phi M1.
Pnas Nexus, 3, 2024
5IDW
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BU of 5idw by Molmil
Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-24
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP
to be published
8VOW
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BU of 8vow by Molmil
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
6VKX
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BU of 6vkx by Molmil
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
5IE1
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BU of 5ie1 by Molmil
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
5VDV
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BU of 5vdv by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with Compound F3
Descriptor: Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION, ...
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
8VP6
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BU of 8vp6 by Molmil
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
5IE9
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BU of 5ie9 by Molmil
Crystal structure of the Bacillus-conserved MazG protein, a nucleotide pyrophosphohydrolase
Descriptor: MANGANESE (II) ION, Nucleotide pyrophosphohydrolase
Authors:Kim, M, Hong, M.
Deposit date:2016-02-25
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the Bacillus-conserved MazG protein, a nucleotide pyrophosphohydrolase.
Biochem.Biophys.Res.Commun., 472, 2016
6VL1
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BU of 6vl1 by Molmil
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
8VP3
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BU of 8vp3 by Molmil
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
5VEA
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BU of 5vea by Molmil
HIV Protease (PR) with TL-3 in active site and 4-methylbenzene-1,2-diamine in exosite
Descriptor: 4-methylbenzene-1,2-diamine, DIMETHYL SULFOXIDE, HIV-1 protease, ...
Authors:Stout, C.D.
Deposit date:2017-04-04
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease
to be published
8VWS
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BU of 8vws by Molmil
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
6VLO
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BU of 6vlo by Molmil
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
8VP9
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BU of 8vp9 by Molmil
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
7ZNM
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BU of 7znm by Molmil
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
5VIK
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BU of 5vik by Molmil
Crystal structure of monomeric near-infrared fluorescent protein miRFP703
Descriptor: BILIVERDINE IX ALPHA, near-infrared fluorescent protein miRFP703
Authors:Pletnev, S.
Deposit date:2017-04-17
Release date:2017-06-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Designing brighter near-infrared fluorescent proteins: insights from structural and biochemical studies.
Chem Sci, 8, 2017
5IES
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BU of 5ies by Molmil
Crystal structure of VRC01c-HuGL2 Fab from an HIV-1 naive donor in complex with with a germline-targeting gp120 engineered outer domain eOD-GT8 at 2.16 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Germline-targeting HIV-1 gp120 engineered outer domain eOD-GT8, ...
Authors:Sarkar, A, Wilson, I.A.
Deposit date:2016-02-25
Release date:2016-04-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:HIV-1 broadly neutralizing antibody precursor B cells revealed by germline-targeting immunogen.
Science, 351, 2016
7LTP
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BU of 7ltp by Molmil
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

243531

數據於2025-10-22公開中

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