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PDB: 52230 results

4WMC
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BU of 4wmc by Molmil
OXA-48 covalent complex with Avibactam inhibitor
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE
Authors:Mangani, S, Benvenuti, M, Docquier, J.D.
Deposit date:2014-10-08
Release date:2014-12-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
8HE5
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BU of 8he5 by Molmil
RNA polymerase II elongation complex bound with Rad26 and Elf1, stalled at SHL(-3.5) of the nucleosome
Descriptor: DNA (198-MER), DNA repair protein, DNA-directed RNA polymerase subunit, ...
Authors:Osumi, K, Kujirai, T, Ehara, H, Kinoshita, C, Saotome, M, Kagawa, W, Sekine, S, Takizawa, Y, Kurumizaka, H.
Deposit date:2022-11-07
Release date:2023-07-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (6.95 Å)
Cite:Structural Basis of Damaged Nucleotide Recognition by Transcribing RNA Polymerase II in the Nucleosome.
J.Mol.Biol., 435, 2023
8H0I
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BU of 8h0i by Molmil
Cryo-EM structure of APOBEC3G-Vif complex
Descriptor: APOBEC3G, CHLORIDE ION, Core binding factor beta, ...
Authors:Kouno, T, Shibata, S, Hyun, J, Kim, T.G, Wolf, M.
Deposit date:2022-09-29
Release date:2023-07-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural insights into RNA bridging between HIV-1 Vif and antiviral factor APOBEC3G.
Nat Commun, 14, 2023
4WTH
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BU of 4wth by Molmil
Ataxin-3 Carboxy Terminal Region - Crystal C2 (triclinic)
Descriptor: Maltose-binding periplasmic protein, Ataxin-3 chimera, ZINC ION, ...
Authors:Zhemkov, V.A, Kim, M.
Deposit date:2014-10-30
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The 2.2-Angstrom resolution crystal structure of the carboxy-terminal region of ataxin-3.
FEBS Open Bio, 6, 2016
4WU1
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BU of 4wu1 by Molmil
Complex of 70S ribosome with tRNA-Tyr and mRNA with G-U mismatch in the second position in the P-site
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
Deposit date:2014-10-30
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into the translational infidelity mechanism.
Nat Commun, 6, 2015
5YPX
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BU of 5ypx by Molmil
Crystal structure of calaxin with magnesium
Descriptor: Calaxin, MAGNESIUM ION
Authors:Shojima, T, Hou, F, Takahashi, Y, Okai, M, Mizuno, K, Inaba, K, Miyakawa, T, Tanokura, M.
Deposit date:2017-11-04
Release date:2018-03-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Crystal structure of a Ca2+-dependent regulator of flagellar motility reveals the open-closed structural transition
Sci Rep, 8, 2018
8GTU
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BU of 8gtu by Molmil
Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Clidinium
Descriptor: Putative amino acid-binding periplasmic ABC transporter protein, [(3~{S})-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate
Authors:Lonare, S, Sharma, M, Sharma, A.K.
Deposit date:2022-09-08
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Identification and evaluation of potential inhibitor molecules against TcyA from Candidatus Liberibacter asiaticus.
J.Struct.Biol., 215, 2023
8HC9
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BU of 8hc9 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (3 RBD down)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (6.03 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
7C3E
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BU of 7c3e by Molmil
Crystal structure of R97A/R150A/R203A mutant of AofleA from Arthrobotrys oligospora
Descriptor: AofleA, GLYCEROL, SULFATE ION
Authors:Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
Deposit date:2020-05-12
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.183 Å)
Cite:Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
5KA1
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BU of 5ka1 by Molmil
Protein Tyrosine Phosphatase 1B Delta helix 7 mutant in complex with TCS401, closed state
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Choy, M.S, Peti, W, Page, R.
Deposit date:2016-06-01
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
4X68
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BU of 4x68 by Molmil
Crystal Structure of OP0595 complexed with AmpC
Descriptor: (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, NICKEL (II) ION
Authors:Yamada, M, Watanabe, T.
Deposit date:2014-12-07
Release date:2015-07-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:OP0595, a new diazabicyclooctane: mode of action as a serine beta-lactamase inhibitor, antibiotic and beta-lactam 'enhancer'
J.Antimicrob.Chemother., 70, 2015
2R4F
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BU of 2r4f by Molmil
Substituted Pyrazoles as Hepatselective HMG-COA reductase inhibitors
Descriptor: (3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
Authors:Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C.
Deposit date:2007-08-31
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia.
J.Med.Chem., 51, 2008
8GU1
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BU of 8gu1 by Molmil
Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Pimozide
Descriptor: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, Putative amino acid-binding periplasmic ABC transporter protein
Authors:Lonare, S, Sharma, M, Sharma, A.K.
Deposit date:2022-09-09
Release date:2023-07-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Identification and evaluation of potential inhibitor molecules against TcyA from Candidatus Liberibacter asiaticus.
J.Struct.Biol., 215, 2023
4WEU
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BU of 4weu by Molmil
Co-complex structure of the F4 fimbrial adhesin FaeG variant ad with llama single domain antibody V3
Descriptor: Anti-F4+ETEC bacteria VHH variable region, K88 fimbrial protein AD
Authors:Moonens, K, Van den Broeck, I, Pardon, E, De Kerpel, M, Remaut, H, De Greve, H.
Deposit date:2014-09-11
Release date:2015-02-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural insight in the inhibition of adherence of F4 fimbriae producing enterotoxigenic Escherichia coli by llama single domain antibodies.
Vet. Res., 46, 2015
7C3C
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BU of 7c3c by Molmil
Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-manose
Descriptor: AofleA, GLYCEROL, alpha-D-mannopyranose, ...
Authors:Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
Deposit date:2020-05-12
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
4WFB
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BU of 4wfb by Molmil
The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with BC-3205
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 23S rRNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eyal, Z, Matzov, D, Krupkin, M, Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.E.
Deposit date:2014-09-14
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.43 Å)
Cite:Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 112, 2015
4WGY
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BU of 4wgy by Molmil
Crystal Structure of Cytochrome c' from Alcaligenes xylosoxidans NCIMB 11015 at pH 10.4
Descriptor: Cytochrome c', HEME C
Authors:Takashina, A, Unno, M, Kohzuma, T.
Deposit date:2014-09-19
Release date:2015-03-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:X-ray Crystallographic Elucidation for the Alkaline High-spin State Transition of Iron(III) Cytochrome c' from Alcaligenes xylosoxidans NCIMB 11015
CHEM LETT., 44, 2015
8HC2
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BU of 8hc2 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 1 YB9-258 Fab (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB9-258 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (6.21 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
4WII
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BU of 4wii by Molmil
HUMAN SPLICING FACTOR, CONSTRUCT 3
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Splicing factor, ...
Authors:lee, M, bond, c.s.
Deposit date:2014-09-26
Release date:2015-04-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The structure of human SFPQ reveals a coiled-coil mediated polymer essential for functional aggregation in gene regulation.
Nucleic Acids Res., 43, 2015
5YEH
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BU of 5yeh by Molmil
Crystal structure of CTCF ZFs4-8-eCBS
Descriptor: DNA (5'-D(*AP*CP*GP*GP*TP*TP*TP*CP*CP*GP*CP*TP*AP*GP*AP*GP*GP*GP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*CP*CP*CP*TP*CP*TP*AP*GP*CP*GP*GP*AP*AP*AP*CP*CP*G)-3'), Transcriptional repressor CTCF, ...
Authors:Yin, M, Wang, J, Wang, M, Li, X, Wang, Y.
Deposit date:2017-09-17
Release date:2017-11-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.328 Å)
Cite:Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites
Cell Res., 27, 2017
4WKZ
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BU of 4wkz by Molmil
Complex of autonomous ScaG cohesin CohG and X-doc domains
Descriptor: ACETATE ION, Autonomous cohesin, CALCIUM ION, ...
Authors:Voronov-Goldman, M, Lamed, R, Bayer, E.A, Yaniv, O, Shimon, L.J.W.
Deposit date:2014-10-05
Release date:2015-12-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Complex of autonomous ScaG cohesin CohG and X-doc domains
To Be Published
4WL7
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BU of 4wl7 by Molmil
Room-temperature crystal structure of lysozyme determined by serial synchrotron crystallography using a micro focused beam (Conventional resolution cut-off)
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Coquelle, N, Brewster, A.S, Kapp, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P.
Deposit date:2014-10-06
Release date:2015-05-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
4WO0
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BU of 4wo0 by Molmil
Crystal structure of transthyretin in complex with apigenin
Descriptor: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Transthyretin
Authors:Zanotti, G, Cianci, M, Folli, C, Berni, R.
Deposit date:2014-10-15
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.339 Å)
Cite:Structural evidence for asymmetric ligand binding to transthyretin.
Acta Crystallogr.,Sect.D, 71, 2015
5KA3
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BU of 5ka3 by Molmil
Protein Tyrosine Phosphatase 1B YAYA (Y152A, Y153A) mutant in complex with TCS401, closed state
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Choy, M.S, Peti, W, Page, R.
Deposit date:2016-06-01
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
7C37
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BU of 7c37 by Molmil
Crystal structure of AofleA from Arthrobotrys oligospora
Descriptor: AofleA, BICINE
Authors:Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
Deposit date:2020-05-11
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020

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