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PDB: 42254 results

8FZ9
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BU of 8fz9 by Molmil
Crystal Structure of Bacillus cereus TIR protein
Descriptor: CITRIC ACID, TIR
Authors:Khudaverdyan, N, Song, J.
Deposit date:2023-01-27
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal Structure of Toll/interleukin-1 receptor like protein from Bacillus cereus (BcTir)
To Be Published
8FJ6
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BU of 8fj6 by Molmil
LSD1-CoREST in complex with T108, long soaking
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-12-19
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8G2Q
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BU of 8g2q by Molmil
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound GTP
Descriptor: Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-02-06
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure of Ternary Complex of mouse cGAS with dsDNA and Bound GTP
To Be Published
8FJ4
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BU of 8fj4 by Molmil
LSD1-CoREST in complex with T108, short soaking
Descriptor: 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-phenylbenzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ...
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-12-19
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8FDV
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BU of 8fdv by Molmil
LSD1-CoREST in complex N-formyl FAD and SNAG peptide
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ...
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-12-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8FZF
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BU of 8fzf by Molmil
Cryo-EM structure of an E. coli rotated ribosome complex bound with RF3-ppGpp and p/E-tRNAPhe (Composite state I-C)
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Rybak, M.Y, Li, L, Lin, J, Gagnon, M.G.
Deposit date:2023-01-28
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The ribosome termination complex remodels release factor RF3 and ejects GDP
To be published
8G2P
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BU of 8g2p by Molmil
Structure of Ternary Complex of cGAS with dsDNA and Bound ATP and GTP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-02-06
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.521 Å)
Cite:Structure of Ternary Complex of cGAS with dsDNA and Bound ATP and GTP
To Be Published
1A3E
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BU of 1a3e by Molmil
COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG2
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), BOROLOG2, ...
Authors:Skordalakes, E, Elgendy, S, Goodwin, C.A, Green, D, Scullly, M.F, Kakkar, V.V, Freyssinet, J.M, Dodson, G, Deadman, J.
Deposit date:1998-01-21
Release date:1998-06-03
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide.
Biochemistry, 37, 1998
8FJ7
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BU of 8fj7 by Molmil
LSD1-CoREST in complex with T108 and SNAG peptide
Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ...
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-12-19
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8FSE
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BU of 8fse by Molmil
Crystal structure of integrin beta-2 tail bound to the FERM-folded talin head domain
Descriptor: Integrin beta-2,Talin-1
Authors:Wu, J, Gao, T.
Deposit date:2023-01-09
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Talin Bound to beta 2 Integrin Unveils the Molecular Mechanism of Species-Specific Integrin Activation
Biorxiv, 2024
4R6Y
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BU of 4r6y by Molmil
Crystal structure of solute-binding protein stm0429 from salmonella enterica subsp. enterica serovar typhimurium str. lt2, target efi-510776, a closed conformation, in complex with glycerol and acetate
Descriptor: ACETATE ION, GLYCEROL, Putative 2-aminoethylphosphonate-binding periplasmic protein
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Al obaidi, N, Chamala, S, Attonito, J.D, Scott glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-08-26
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal Structure of Transporter STM0429 from Salmonella Enterica
To be Published
8FTB
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BU of 8ftb by Molmil
Crystal structure of integrin beta-2 tail bound to the FERM-folded talin head domain with a K306Q mutation
Descriptor: Integrin beta-2,Talin-1
Authors:Wu, J, Gao, T.
Deposit date:2023-01-11
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of Talin Bound to beta 2 Integrin Unveils the Molecular Mechanism of Species-Specific Integrin Activation
Biorxiv, 2024
8GIN
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BU of 8gin by Molmil
Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.015mM Mn2+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MAGNESIUM ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-03-14
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
5LYR
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BU of 5lyr by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin
Descriptor: (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-09-28
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
8GAP
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BU of 8gap by Molmil
Structure of LARP7 protein p65-telomerase RNA complex in telomerase
Descriptor: Telomerase La-related protein p65, Telomerase RNA, Telomerase associated protein p50, ...
Authors:Wang, Y, He, Y, Wang, Y, Yang, Y, Singh, M, Eichhorn, C.D, Zhou, Z.H, Feigon, J.
Deposit date:2023-02-23
Release date:2023-06-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of LARP7 Protein p65-telomerase RNA Complex in Telomerase Revealed by Cryo-EM and NMR.
J.Mol.Biol., 435, 2023
5EF6
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BU of 5ef6 by Molmil
Structure of HOXB13 complex with methylated DNA
Descriptor: DNA (5'-D(P*GP*GP*AP*CP*CP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13
Authors:Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J.
Deposit date:2015-10-23
Release date:2017-02-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
4DQ1
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BU of 4dq1 by Molmil
Thymidylate synthase from Staphylococcus aureus.
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Osipiuk, J, Holowicki, J, Jedrzejczak, R, Rubin, E, Guinn, K, Ioerger, T, Baker, D, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2012-02-14
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Thymidylate synthase from Staphylococcus aureus.
To be Published
8GX9
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BU of 8gx9 by Molmil
Crystal structure of SARS-CoV-2 RBD with P2C-1F11 and P2B-1G5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of P2B-1G5, ...
Authors:Wang, X, Zhang, L, Ge, J.
Deposit date:2022-09-19
Release date:2022-10-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:Crystal structure of SARS-CoV-2 antibody P2C-1F11 and RBD
To be published
8GXS
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BU of 8gxs by Molmil
PIC-Mediator in complex with +1 nucleosome (T40N) in H-binding state
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X.
Deposit date:2022-09-21
Release date:2022-11-02
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Structures of +1 nucleosome-bound PIC-Mediator complex.
Science, 378, 2022
4R6H
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BU of 4r6h by Molmil
Crystal structure of putative binding protein msme from bacillus subtilis subsp. subtilis str. 168, target efi-510764, an open conformation
Descriptor: CHLORIDE ION, Solute binding protein MsmE
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Al obaidi, N, Chamala, S, Attonito, J.D, Scott glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-08-25
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Transporter Msme from Bacillus Subtilis, Target Efi-510764
To be Published
8GXQ
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BU of 8gxq by Molmil
PIC-Mediator in complex with +1 nucleosome (T40N) in MH-binding state
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X, Xu, Y.
Deposit date:2022-09-21
Release date:2022-11-02
Method:ELECTRON MICROSCOPY (5.04 Å)
Cite:Structures of +1 nucleosome-bound PIC-Mediator complex.
Science, 378, 2022
2W4F
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BU of 2w4f by Molmil
CRYSTAL STRUCTURE OF THE FIRST PDZ DOMAIN OF HUMAN SCRIB1
Descriptor: 1,2-ETHANEDIOL, PROTEIN LAP4
Authors:Hozjan, V, Pilka, E.S, Roos, A.K, W Yue, W, Phillips, C, Bray, J, Cooper, C, Salah, E, Elkins, J.M, Muniz, J.R.C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, von Delft, F, Bountra, C, Doyle, D.A, Oppermann, U.
Deposit date:2008-11-25
Release date:2008-12-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of the First Pdz Domain of Human Scrib1
To be Published
5GJT
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BU of 5gjt by Molmil
Crystal structure of H1 hemagglutinin from A/Washington/05/2011 in complex with a neutralizing antibody 3E1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, heavy chain of human neutralizing antibody 3E1, ...
Authors:Wang, W, Zhang, T, Ding, J.
Deposit date:2016-07-01
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Human antibody 3E1 targets the HA stem region of H1N1 and H5N6 influenza A viruses
Nat Commun, 7, 2016
3JZP
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BU of 3jzp by Molmil
Human MDMX liganded with a 12mer peptide inhibitor (pDI6W)
Descriptor: POTASSIUM ION, Protein Mdm4, pDI6W peptide (12mer)
Authors:Schonbrunn, E, Phan, J.
Deposit date:2009-09-24
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
8GS2
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BU of 8gs2 by Molmil
Structure of the Cas7-11-Csx29-guide RNA-target RNA (non-matching PFS) complex
Descriptor: ADENOSINE MONOPHOSPHATE, CHAT domain-containing protein, CRISPR-associated RAMP family protein, ...
Authors:Kato, K, Okazaki, S, Ishikawa, J, Isayama, Y, Nishizawa, T, Nishimasu, H.
Deposit date:2022-09-04
Release date:2022-11-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:RNA-triggered protein cleavage and cell growth arrest by the type III-E CRISPR nuclease-protease.
Science, 378, 2022

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