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6XSE
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BU of 6xse by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS F34Y at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2020-07-15
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS F34Y at cryogenic temperature
To be Published
6XSH
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BU of 6xsh by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS T62V at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2020-07-15
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS T62V at cryogenic temperature
To be Published
6RD3
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BU of 6rd3 by Molmil
Crystal structure of the wild type OmpK36 from Klebsiella pneumonia
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, OmpK36
Authors:Beis, K, Romano, M, Kwong, J.
Deposit date:2019-04-12
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo.
Nat Commun, 10, 2019
5JUC
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BU of 5juc by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and glucosyl-3-phosphoglycerate (GPG) - GpgS*GPG*UDP*Mn2+_2
Descriptor: (2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid, 1,2-ETHANEDIOL, Glucosyl-3-phosphoglycerate synthase, ...
Authors:Albesa-Jove, D, Sancho-Vaello, E, Rodrigo-Unzueta, A, Comino, N, Carreras-Gonzalez, A, Arrasate, P, Urresti, S, Guerin, M.E.
Deposit date:2016-05-10
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS.
Structure, 25, 2017
6M7X
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BU of 6m7x by Molmil
Structure of human CYP11B1 in complex with fadrozole
Descriptor: 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B1, mitochondrial, ...
Authors:Scott, E.E, Brixius-Anderko, S.
Deposit date:2018-08-21
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Structure of human cortisol-producing cytochrome P450 11B1 bound to the breast cancer drug fadrozole provides insights for drug design.
J. Biol. Chem., 294, 2019
7QZQ
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BU of 7qzq by Molmil
Crystal structure of the kelch domain of human KBTBD12
Descriptor: 1,2-ETHANEDIOL, Kelch repeat and BTB domain-containing protein 12, SODIUM ION
Authors:Manning, C.E, Chen, Z, Chen, X, Bradshaw, W.J, Bakshi, S, Mckinley, G, Chalk, R, Burgess-Brown, N, von Delft, F, Bullock, A.N.
Deposit date:2022-01-31
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of the kelch domain of human KBTBD12
To Be Published
5KDN
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BU of 5kdn by Molmil
ZmpB metallopeptidase from Clostridium perfringens
Descriptor: 1,2-ETHANEDIOL, F5/8 type C domain protein, ZINC ION
Authors:Noach, I, Ficko-Blean, E, Stuart, C, Boraston, A.B.
Deposit date:2016-06-08
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6GR2
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BU of 6gr2 by Molmil
Structure of human galactokinase in complex with galactose and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Galactokinase, SULFATE ION, ...
Authors:Bezerra, G.A, Mackinnon, S, Williams, E, Zhang, M, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC)
Deposit date:2018-06-08
Release date:2019-06-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure of human galactokinase in complex with galactose and ADP
To Be Published
8QJ8
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BU of 8qj8 by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Descriptor: 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 63, 2024
8R0S
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BU of 8r0s by Molmil
Structure of reverse transcriptase from Cauliflower Mosaic Virus in complex with RNA/DNA hybrid
Descriptor: DNA (5'-D(*GP*CP*TP*AP*CP*GP*CP*AP*CP*TP*GP*CP*TP*GP*GP*A)-3'), Enzymatic polyprotein, RNA (5'-R(*GP*UP*CP*CP*AP*GP*CP*AP*GP*UP*GP*CP*GP*UP*AP*GP*C)-3')
Authors:Prabaharan, C, Figiel, M, Chamera, S, Szczepanowski, R, Nowak, E, Nowotny, M.
Deposit date:2023-10-31
Release date:2024-07-24
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and biochemical characterization of cauliflower mosaic virus reverse transcriptase.
J.Biol.Chem., 300, 2024
5N5Q
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BU of 5n5q by Molmil
Human TTR altered conformation from soaking in iron chloride.
Descriptor: ACETATE ION, FE (III) ION, Transthyretin, ...
Authors:Ciccone, L, Savko, M, Shepard, W, Stura, E.A.
Deposit date:2017-02-14
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Copper mediated amyloid-beta binding to Transthyretin.
Sci Rep, 8, 2018
7A1D
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BU of 7a1d by Molmil
Cryo-EM map of the large glutamate dehydrogenase composed of 180 kDa subunits from Mycobacterium smegmatis (open conformation)
Descriptor: NAD-specific glutamate dehydrogenase
Authors:Lazaro, M, Melero, R, Huet, C, Lopez-Alonso, J.P, Delgado, S, Dodu, A, Bruch, E.M, Abriata, L.A, Alzari, P.M, Valle, M, Lisa, M.N.
Deposit date:2020-08-12
Release date:2021-06-09
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.19 Å)
Cite:3D architecture and structural flexibility revealed in the subfamily of large glutamate dehydrogenases by a mycobacterial enzyme.
Commun Biol, 4, 2021
6QX8
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BU of 6qx8 by Molmil
Influenza A virus (A/NT/60/1968) polymerase dimer of heterotrimer in complex with 5' cRNA promoter
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(P*AP*GP*CP*AP*AP*AP*AP*GP*CP*AP*GP*A)-3'), ...
Authors:Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M.
Deposit date:2019-03-07
Release date:2019-09-04
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
7A05
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BU of 7a05 by Molmil
NMR structure of D3-D4 domains of Vibrio vulnificus ribosomal protein S1
Descriptor: 30S ribosomal protein S1
Authors:Qureshi, N.S, Matzel, T, Cetiner, E.C, Schnieders, S, Jonker, H.R.A, Schwalbe, H, Fuertig, B.
Deposit date:2020-08-06
Release date:2021-06-23
Last modified:2024-01-17
Method:SOLUTION NMR
Cite:NMR structure of the Vibrio vulnificus ribosomal protein S1 domains D3 and D4 provides insights into molecular recognition of single-stranded RNAs.
Nucleic Acids Res., 49, 2021
8QIX
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BU of 8qix by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Descriptor: 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 63, 2024
7REN
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BU of 7ren by Molmil
Room temperature serial crystal structure of Glutaminase C in complex with inhibitor UPGL-00004
Descriptor: 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
Authors:Milano, S.K, Finke, A, Cerione, R.A.
Deposit date:2021-07-13
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography.
J.Biol.Chem., 298, 2022
8CQ1
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BU of 8cq1 by Molmil
Stem-Loop 4 of the 5'-UTR of the SARS-CoV2 genomic RNA
Descriptor: 5_SL4
Authors:Duchardt-Ferner, E, Voegele, J.
Deposit date:2023-03-03
Release date:2023-09-20
Last modified:2023-11-22
Method:SOLUTION NMR
Cite:High-resolution structure of stem-loop 4 from the 5'-UTR of SARS-CoV-2 solved by solution state NMR.
Nucleic Acids Res., 51, 2023
6OPL
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BU of 6opl by Molmil
Human biliverdin IX beta reductase Q14R mutant: NADP complex
Descriptor: Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Paukovich, N.A, Eisenmesser, E.Z.
Deposit date:2019-04-25
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Controlling biliverdin reductase B coenzyme binding through evolution
To Be Published
7RGG
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BU of 7rgg by Molmil
Room temperature serial crystal structure of Glutaminase C in complex with inhibitor BPTES
Descriptor: Glutaminase kidney isoform, mitochondrial 68 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide)
Authors:Milano, S.K, Finke, A, Cerione, R.A.
Deposit date:2021-07-15
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography.
J.Biol.Chem., 298, 2022
6MG5
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BU of 6mg5 by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with coumarin 1
Descriptor: 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one, Light chain JTO, PHOSPHATE ION
Authors:Morgan, G.J, Yan, N.L, Mortenson, D.E, Stanfield, R.L, Wilson, I.A, Kelly, J.W.
Deposit date:2018-09-12
Release date:2019-04-10
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stabilization of amyloidogenic immunoglobulin light chains by small molecules.
Proc.Natl.Acad.Sci.USA, 116, 2019
8UBG
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BU of 8ubg by Molmil
DpHF19 filament
Descriptor: DpHF19,Green fluorescent protein (Fragment)
Authors:Lynch, E.M, Shen, H, Kollman, J.M, Baker, D.
Deposit date:2023-09-22
Release date:2024-04-10
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:De novo design of pH-responsive self-assembling helical protein filaments.
Nat Nanotechnol, 19, 2024
8QIY
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BU of 8qiy by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Descriptor: 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.5149 Å)
Cite:A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 63, 2024
8EC0
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BU of 8ec0 by Molmil
III2IV respiratory supercomplex from Saccharomyces cerevisiae cardiolipin-lacking mutant
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, ...
Authors:Hryc, C.F, Mileykovskaya, E, Baker, M, Dowhan, W.
Deposit date:2022-08-31
Release date:2023-05-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into cardiolipin replacement by phosphatidylglycerol in a cardiolipin-lacking yeast respiratory supercomplex.
Nat Commun, 14, 2023
6XOD
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BU of 6xod by Molmil
Crystal structure of the PEX4-PEX22 protein complex from Arabidopsis thaliana
Descriptor: Peroxisome biogenesis protein 22, Protein PEROXIN-4
Authors:Olmos Jr, J.L, Bradford, S.E, Miller, M.D, Xu, W, Wright, Z.J, Bartel, B, Phillips Jr, G.N.
Deposit date:2020-07-06
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The Structure of the Arabidopsis PEX4-PEX22 Peroxin Complex-Insights Into Ubiquitination at the Peroxisomal Membrane
Front Cell Dev Biol, 10, 2022
5JRR
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BU of 5jrr by Molmil
Crystal structure of native laccase from Thermus thermophilus HB27
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ...
Authors:Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E.
Deposit date:2016-05-06
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published

226262

数据于2024-10-16公开中

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