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PDB: 51630 results

5ZPJ
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BU of 5zpj by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pH 6 at 288 K (1)
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ...
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.647 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5Z06
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BU of 5z06 by Molmil
Crystal structure of beta-1,2-glucanase from Parabacteroides distasonis
Descriptor: BDI_3064 protein, CALCIUM ION, GLYCEROL
Authors:Shimizu, H, Nakajima, M, Miyanaga, A, Takahashi, Y, Tanaka, N, Kobayashi, K, Sugimoto, N, Nakai, H, Taguchi, H.
Deposit date:2017-12-18
Release date:2018-05-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization and Structural Analysis of a Novel exo-Type Enzyme Acting on beta-1,2-Glucooligosaccharides from Parabacteroides distasonis
Biochemistry, 57, 2018
8T52
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BU of 8t52 by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with EKC-110
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
8TSQ
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BU of 8tsq by Molmil
Open, inward-facing MsbA structure (OIF2)
Descriptor: ATP-binding transport protein MsbA
Authors:Yang, B, Zhang, T, Lyu, J, Laganowsky, A.D, Zhao, M.
Deposit date:2023-08-11
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Native mass spectrometry captures snapshots of the MsbA transport cycle
To Be Published
5Z0K
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BU of 5z0k by Molmil
Crystal structure of copper-bound tyrosinase from Streptomyces castaneoglobisporus in complex with the caddie protein obtained by soaking in the hydroxylamine-containing solution for 4 h at 277 K
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2017-12-19
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Catalytic mechanism of tyrosinase implied from the quinone formation on the Tyr98 residue of the caddie protein
To Be Published
8TSS
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BU of 8tss by Molmil
Open, inward-facing MsbA structure (OIF3)
Descriptor: ATP-binding transport protein MsbA
Authors:Yang, B, Zhang, T, Lyu, J, Laganowsky, A.D, Zhao, M.
Deposit date:2023-08-11
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Native mass spectrometry captures snapshots of the MsbA transport cycle
To Be Published
6RGU
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BU of 6rgu by Molmil
Photorhabdus asymbiotica lectin PHL in complex with 3-O-methyl-D-glucose
Descriptor: 3-O-methyl-beta-D-glucopyranose, CHLORIDE ION, Lectin PHL, ...
Authors:Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M.
Deposit date:2019-04-17
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
5Z0Y
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BU of 5z0y by Molmil
Crystallization and structure determination of cytoplasm serine hydroxymethyltransferase (SHMT) from Pichia pastoris
Descriptor: GLYCEROL, Serine hydroxymethyltransferase
Authors:Chen, Z, Zhang, M.
Deposit date:2017-12-22
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and function of cytoplasmic serine hydroxymethyltransferase from Pichia pastoris
Biochem. Biophys. Res. Commun., 496, 2018
6RHK
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BU of 6rhk by Molmil
The crystal structure of human carbonic anhydrase II in complex with 4-(3-benzylimidazolidine-1-carbonyl)benzenesulfonamide
Descriptor: 4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ferraroni, M, Angeli, A, Supuran, C.T.
Deposit date:2019-04-22
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors.
Bioorg.Chem., 91, 2019
5YYM
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BU of 5yym by Molmil
Crystal structures of E.coli arginyl-trna synthetase (argrs) in complex with substrate Arg
Descriptor: ARGININE, Arginine--tRNA ligase
Authors:Zhou, M, Ye, S, Stephen, P, Zhang, R.G, Wang, E.D, Giege, R, Lin, S.X.
Deposit date:2017-12-10
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures Of E.Coli Arginyl-Trna Synthetase (Argrs) In Complex With Substrates
To Be Published
6RML
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BU of 6rml by Molmil
Crystal structure of TOPBP1 BRCT0,1,2 in complex with a 53BP1 phosphopeptide
Descriptor: 53BP1, DNA topoisomerase 2-binding protein 1
Authors:Day, M, Oliver, A.W, Pearl, L.H.
Deposit date:2019-05-07
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Phosphorylation-mediated interactions with TOPBP1 couple 53BP1 and 9-1-1 to control the G1 DNA damage checkpoint.
Elife, 8, 2019
6RK8
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BU of 6rk8 by Molmil
Fragment AZ-014 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-04-30
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RL3
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BU of 6rl3 by Molmil
Fragment AZ-003 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 5-azanyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-05-01
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RL6
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BU of 6rl6 by Molmil
Fragment AZ-024 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Cellular tumor antigen p53, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-05-01
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
8TSO
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BU of 8tso by Molmil
KDL bound, nucleotide-free MsbA in open, outward-facing conformation
Descriptor: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-binding transport protein MsbA, PENTAETHYLENE GLYCOL MONODECYL ETHER
Authors:Yang, B, Zhang, T, Lyu, J, Laganowsky, A.D, Zhao, M.
Deposit date:2023-08-11
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Native mass spectrometry captures snapshots of the MsbA transport cycle
To Be Published
5ZBB
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BU of 5zbb by Molmil
Crystal structure of Rtt109-Asf1-H3-H4 complex
Descriptor: DI(HYDROXYETHYL)ETHER, DNA damage response protein Rtt109, putative, ...
Authors:Zhang, L, Serra-Cardona, A, Zhou, H, Wang, M, Yang, N, Zhang, Z, Xu, R.M.
Deposit date:2018-02-10
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Multisite Substrate Recognition in Asf1-Dependent Acetylation of Histone H3 K56 by Rtt109.
Cell, 174, 2018
8EOD
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BU of 8eod by Molmil
EEVD:Sis1-81 (J domain) bound conformation
Descriptor: Protein SIS1
Authors:Matos, C.O, Pinheiro, G.M.S, Ramos, C.H.I, Almeida, F.C.L.
Deposit date:2022-10-03
Release date:2023-10-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and dynamical basis for the interaction of HSP70-EEVD with JDP Sis1
To Be Published
8T5A
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BU of 8t5a by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with STP03-0404
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
5ZAB
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BU of 5zab by Molmil
Crystal structure of cf3-aequorin
Descriptor: (2S)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-{[4-(trifluoromethyl)phenyl]methyl}imidazo[1,2-a]pyrazin-3(2H)-one, Aequorin-2
Authors:Inouye, S, Tomabechi, Y, Sekine, S.I, Shirouzu, M, Hosoya, T.
Deposit date:2018-02-07
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.147 Å)
Cite:Slow luminescence kinetics of semi-synthetic aequorin: expression, purification and structure determination of cf3-aequorin.
J. Biochem., 164, 2018
5ZF4
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BU of 5zf4 by Molmil
Structure of human dihydroorotate dehydrogenase in complex with 275-10-COOMe
Descriptor: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K.
Deposit date:2018-03-02
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
5ZFA
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BU of 5zfa by Molmil
Structure of human dihydroorotate dehydrogenase in complex with 287-12-OCOiPr
Descriptor: (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
Authors:Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K.
Deposit date:2018-03-02
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
6RR2
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BU of 6rr2 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 9-[(2~{S})-oxan-2-yl]purin-6-amine, CITRIC ACID, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2019-05-16
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
8TJP
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BU of 8tjp by Molmil
KS-AT core of 6-deoxyerythronolide B synthase (DEBS) Module 3 crosslinked with its elongation ACP partner
Descriptor: EryAII
Authors:Cogan, D.P, Soohoo, A.M, Chen, M, Brodsky, K.L, Liu, Y, Khosla, C.
Deposit date:2023-07-23
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structural Basis for Intermodular Communication in Assembly-Line Polyketide Biosynthesis
To Be Published
8THO
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BU of 8tho by Molmil
Solution structure of the zinc finger repeat domain of BCL11A (ZnF456)
Descriptor: B-cell lymphoma/leukemia 11A, ZINC ION
Authors:Viennet, T, Yin, M, Orkin, S.H, Arthanari, H.
Deposit date:2023-07-17
Release date:2024-07-24
Method:SOLUTION NMR
Cite:Structural and dynamic investigation of DNA-binding by BCL11A reveals a specific role for ZnF6
To Be Published
8TFW
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BU of 8tfw by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound N34 bound
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, [5-(trifluoromethyl)thiophen-2-yl]boronic acid
Authors:Fellner, M.
Deposit date:2023-07-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound N34 bound
To Be Published

224201

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