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PDB: 22297 results

6FCJ
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BU of 6fcj by Molmil
Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations
Descriptor: 4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Musil, D, Lehmann, M, Eggenweiler, H.-M.
Deposit date:2017-12-20
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations
Arxiv, 2019
3JD2
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BU of 3jd2 by Molmil
Glutamate dehydrogenase in complex with NADH, open conformation
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Glutamate dehydrogenase 1, mitochondrial
Authors:Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S.
Deposit date:2016-03-28
Release date:2016-04-27
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
6SPE
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BU of 6spe by Molmil
Pseudomonas aeruginosa 30s ribosome from a clinical isolate
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Halfon, Y, Jimenez-Fernande, A, La Ros, R, Espinos, R, Krogh Johansen, H, Matzov, D, Eyal, Z, Bashan, A, Zimmerman, E, Belousoff, M, Molin, S, Yonath, A.
Deposit date:2019-09-01
Release date:2019-10-16
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure ofPseudomonas aeruginosaribosomes from an aminoglycoside-resistant clinical isolate.
Proc.Natl.Acad.Sci.USA, 116, 2019
6SRH
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BU of 6srh by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ...
Authors:Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2019-09-05
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117
To Be Published
6T0Z
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BU of 6t0z by Molmil
Crystal structure of YTHDC1 with fragment 23 (ACA_DC1_005)
Descriptor: SULFATE ION, YTHDC1, ~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-03
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6SS0
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BU of 6ss0 by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021181
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Fab C0021181 heavy chain (IgG1), ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
3JRX
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BU of 3jrx by Molmil
Crystal structure of the BC domain of ACC2 in complex with soraphen A
Descriptor: Acetyl-CoA carboxylase 2, SORAPHEN A
Authors:Cho, Y.S, Lee, J.I, Shin, D, Kim, H.T, Lee, T.G, Heo, Y.S.
Deposit date:2009-09-09
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism for the regulation of human ACC2 through phosphorylation by AMPK.
Biochem.Biophys.Res.Commun., 391, 2010
6FGT
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BU of 6fgt by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 3
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
Deposit date:2018-01-11
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6SU7
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BU of 6su7 by Molmil
Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and 3,4-Dichloroaniline
Descriptor: 3,4-Dichloroaniline, Glycosyltransferase
Authors:Fredslund, F, Teze, D, Svensson, B, Adams, P.D, Welner, D.H.
Deposit date:2019-09-13
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering
Acs Catalysis, 11, 2021
3J1W
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BU of 3j1w by Molmil
A refined model of the prototypical Salmonella typhimurium T3SS basal body reveals the molecular basis for its assembly
Descriptor: Protein PrgH
Authors:Sgourakis, N.G, Worrall, L.J, Strynadka, N.C.J, Baker, D.
Deposit date:2012-07-10
Release date:2013-05-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (11.7 Å)
Cite:A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Plos Pathog., 9, 2013
6FHP
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BU of 6fhp by Molmil
DAIP in complex with a C-terminal fragment of thermolysin
Descriptor: Dispase autolysis-inducing protein, Thermolysin
Authors:Schmelz, S, Fiebig, D, Fuchsbauer, H.L, Blankenfeldt, W, Scrima, A.
Deposit date:2018-01-15
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Destructive twisting of neutral metalloproteases: the catalysis mechanism of the Dispase autolysis-inducing protein from Streptomyces mobaraensis DSM 40487.
FEBS J., 285, 2018
6FGE
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BU of 6fge by Molmil
Crystal structure of human ZUFSP/ZUP1 in complex with ubiquitin
Descriptor: ACETATE ION, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kwasna, D, Abdul Rehman, S.A, Kulathu, Y.
Deposit date:2018-01-10
Release date:2018-04-04
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery and Characterization of ZUFSP/ZUP1, a Distinct Deubiquitinase Class Important for Genome Stability.
Mol. Cell, 70, 2018
3K2G
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BU of 3k2g by Molmil
Crystal structure of a Resiniferatoxin-binding protein from Rhodobacter sphaeroides
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, MAGNESIUM ION, Resiniferatoxin-binding, ...
Authors:Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-09-30
Release date:2009-10-13
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a Resiniferatoxin-binding protein from Rhodobacter sphaeroides
To be Published
3J3X
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BU of 3j3x by Molmil
Independent reconstruction of Mm-cpn cryo-EM density map from half dataset in the closed state (training map)
Descriptor: Chaperonin
Authors:DiMaio, F, Zhang, J, Chiu, W, Baker, D.
Deposit date:2013-05-02
Release date:2013-05-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM model validation using independent map reconstructions.
Protein Sci., 22, 2013
6FGV
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BU of 6fgv by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 3
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
Deposit date:2018-01-11
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6SX6
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BU of 6sx6 by Molmil
Guanine-rich oligonucleotide with 5'-GC end form G-quadruplex with A(GGGG)A hexad, GCGC- and G-quartets and two symmetric GG and AA base pairs
Descriptor: GCn
Authors:Pavc, D, Wang, B, Spindler, L, Drevensek-Olenik, I, Plavec, J, Sket, P.
Deposit date:2019-09-25
Release date:2020-07-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:GC ends control topology of DNA G-quadruplexes and their cation-dependent assembly.
Nucleic Acids Res., 48, 2020
6F8E
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BU of 6f8e by Molmil
PH domain from TgAPH
Descriptor: Pleckstrin homology domain
Authors:Darvill, N, Liu, B, Matthews, S, Soldati-Favre, D, Rouse, S, Benjamin, S, Blake, T, Dubois, D.J, Hammoudi, P.M, Pino, P.
Deposit date:2017-12-13
Release date:2019-01-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural Basis of Phosphatidic Acid Sensing by APH in Apicomplexan Parasites.
Structure, 26, 2018
6SXE
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BU of 6sxe by Molmil
Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with Endoxifen (2.6 Angstrom resolution)
Descriptor: 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, Endoxifen, HEGA-10, ...
Authors:Sula, A, Hollingworth, D, Wallace, B.A.
Deposit date:2019-09-25
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A tamoxifen receptor within a voltage-gated sodium channel.
Mol.Cell, 81, 2021
6SK6
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BU of 6sk6 by Molmil
Cryo-EM structure of rhinovirus-B5
Descriptor: Rhinovirus B5 VP1, Rhinovirus B5 VP2, Rhinovirus B5 VP3, ...
Authors:Wald, J, Goessweiner-Mohr, N, Blaas, D, Pasin, M.
Deposit date:2019-08-14
Release date:2019-09-04
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of pleconaril-resistant rhinovirus-B5 complexed to the antiviral OBR-5-340 reveals unexpected binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019
6T07
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BU of 6t07 by Molmil
Crystal structure of YTHDC1 with fragment 20 (DHU_DC1_134)
Descriptor: SULFATE ION, YTH domain-containing protein 1, ~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-02
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6SKG
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BU of 6skg by Molmil
Cryo-EM Structure of T. kodakarensis 70S ribosome in TkNat10 deleted strain
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Matzov, D, Sas-Chen, A, Thomas, J.M, Santangelo, T, Meier, J.L, Schwartz, S, Shalev-Benami, M.
Deposit date:2019-08-15
Release date:2020-07-29
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Dynamic RNA acetylation revealed by quantitative cross-evolutionary mapping.
Nature, 583, 2020
6T0X
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BU of 6t0x by Molmil
Crystal structure of YTHDC1 with fragment 22 (ACA_DC1_001)
Descriptor: (3~{S})-~{N}-methylpyrrolidine-3-carboxamide, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-03
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T11
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BU of 6t11 by Molmil
Crystal structure of YTHDC1 with fragment 29 (DHU_DC1_218)
Descriptor: N-methyl-1H-indole-7-carboxamide, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-03
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
3JRA
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BU of 3jra by Molmil
Crystal structure of Fis bound to 27bp non consensus sequence DNA F6
Descriptor: DNA (27-MER), DNA-binding protein fis
Authors:Stella, S, Cascio, D, Johnson, R.C.
Deposit date:2009-09-08
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:The shape of the DNA minor groove directs binding by the DNA-bending protein Fis.
Genes Dev., 24, 2010
6SE7
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BU of 6se7 by Molmil
R600A mutant from Mycoplasma genitalium P110 Adhesin at 1.87 Angstroms resolution
Descriptor: Mgp-operon protein 3, POTASSIUM ION
Authors:Fita, I, Aparicio, D.
Deposit date:2019-07-29
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:R600A mutant from Mycoplasma genitalium P110 Adhesin at 1.87 Angstroms resolution
To Be Published

223790

数据于2024-08-14公开中

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