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8CWV
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BU of 8cwv by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with a cross-neutralizing nanobody 2-31 and a human antibody CC12.1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-05-19
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CWU
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BU of 8cwu by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with a cross-neutralizing nanobody 1-21
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VHH 1-21
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-05-19
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8QH1
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BU of 8qh1 by Molmil
Crystal structure of the SARS-CoV-2 RBD from the Omicron BA4 variant with the antibody Cv2.3194
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cv2.3194 heavy chain, IGK@ protein, ...
Authors:Fernandez, I, Rey, F.A.
Deposit date:2023-09-06
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Pan-neutralizing antibody isolated from a COVID patient
To Be Published
3CZD
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BU of 3czd by Molmil
Crystal structure of human glutaminase in complex with L-glutamate
Descriptor: GLUTAMIC ACID, GLYCEROL, Glutaminase kidney isoform, ...
Authors:Karlberg, T, Welin, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wikstrom, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2008-04-29
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
8EUQ
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BU of 8euq by Molmil
Crystal structure of HLA-DRA*01:01/HLA-DRB1*04:01 in complex with c44H10 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, ...
Authors:Kassardjian, A, Julien, J.-P.
Deposit date:2022-10-19
Release date:2023-04-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Modular adjuvant-free pan-HLA-DR-immunotargeting subunit vaccine against SARS-CoV-2 elicits broad sarbecovirus-neutralizing antibody responses.
Cell Rep, 42, 2023
6UX9
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BU of 6ux9 by Molmil
Crystal Structure Analysis of PIP4K2A
Descriptor: N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-11-07
Release date:2020-12-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery and Structure-Activity Relationship Study of ( Z )-5-Methylenethiazolidin-4-one Derivatives as Potent and Selective Pan-phosphatidylinositol 5-Phosphate 4-Kinase Inhibitors.
J.Med.Chem., 63, 2020
6VRU
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BU of 6vru by Molmil
PIM-inhibitor complex 1
Descriptor: 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, ACETATE ION, IMIDAZOLE, ...
Authors:Barberis, C.E, Batchelor, J.D, Mechin, I, Liu, J.
Deposit date:2020-02-10
Release date:2020-11-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model.
Bioorg.Med.Chem.Lett., 30, 2020
2HDE
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BU of 2hde by Molmil
Solution Structure of Human SAP18
Descriptor: Histone deacetylase complex subunit SAP18
Authors:McCallum, S.A, Yin, J.P, Pan, B, Fairbrother, W.J.
Deposit date:2006-06-20
Release date:2007-04-24
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of SAP18: a ubiquitin fold in histone deacetylase complex assembly.
Biochemistry, 45, 2006
8GOU
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BU of 8gou by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-25
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
Descriptor: Spike protein S1, scFv
Authors:Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
Deposit date:2022-08-27
Release date:2023-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
2KJX
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BU of 2kjx by Molmil
Solution structure of the extracellular domain of JTB
Descriptor: Jumping translocation breakpoint protein
Authors:Rousseau, F, Lingel, A, Pan, B, Fairbrother, W.J, Bazan, F.
Deposit date:2009-06-10
Release date:2010-08-11
Last modified:2012-04-18
Method:SOLUTION NMR
Cite:The structure of the extracellular domain of the jumping translocation breakpoint protein reveals a variation of the midkine fold.
J.Mol.Biol., 415, 2012
2G91
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BU of 2g91 by Molmil
Crystal Structure Analysis of the an RNA nonamer r(GGUGCGC)d(BrC)r(C)
Descriptor: 5'-R(*GP*GP*UP*GP*CP*GP*CP*(CBR)P*C-3', MAGNESIUM ION
Authors:Shi, K, Pan, B, Sundaralingam, M.
Deposit date:2006-03-04
Release date:2007-04-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of an RNA nonamer r(GGUGCGC)d(BrC)r(C) at 1.5 A resolution
To be Published
7VDS
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BU of 7vds by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 24
Descriptor: 1,2-ETHANEDIOL, 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile, CHLORIDE ION, ...
Authors:Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
Deposit date:2021-09-07
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
8C41
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BU of 8c41 by Molmil
High resolution structure of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*TP*GP*AP*AP*T)-3'), ...
Authors:Najmudin, S, Pan, X.S, Wang, B, Chayen, N.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2022-12-30
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:The nature of the molecular interactions at high resolution of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin.
To Be Published
3R93
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BU of 3r93 by Molmil
Crystal structure of the chromo domain of M-phase phosphoprotein 8 bound to H3K9Me3 peptide
Descriptor: H3K9Me3 peptide, M-phase phosphoprotein 8, UNKNOWN ATOM OR ION
Authors:Li, J, Li, Z, Ruan, J, Xu, C, Tong, Y, Pan, P.W, Tempel, W, Crombet, L, Min, J, Zang, J, Structural Genomics Consortium (SGC)
Deposit date:2011-03-24
Release date:2011-04-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.057 Å)
Cite:Structural basis for specific binding of human MPP8 chromodomain to histone H3 methylated at lysine 9.
Plos One, 6, 2011
3RAF
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BU of 3raf by Molmil
Quinazolinedione-DNA cleavage complex of type IV topoisomerase from S. pneumoniae
Descriptor: 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione, 5'-D(*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*GP*TP*GP*CP*AP*T)-3', ...
Authors:Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2011-03-28
Release date:2012-03-28
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Inhibitor-stabilised cleavage complexes of topoisomerase IIa: structural analysis of drug-dependent inter- and intramolecular interactions
To be Published
7VDP
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BU of 7vdp by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase 5 activator 1, ...
Authors:Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
Deposit date:2021-09-07
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
1YZQ
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BU of 1yzq by Molmil
GppNHp-Bound Rab6 GTPase
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, small GTP binding protein RAB6 isoform
Authors:Eathiraj, S, Pan, X, Ritacco, C, Lambright, D.G.
Deposit date:2005-02-28
Release date:2005-07-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural basis of family-wide Rab GTPase recognition by rabenosyn-5.
Nature, 436, 2005
6XF6
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BU of 6xf6 by Molmil
Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (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, Spike glycoprotein
Authors:Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2020-06-15
Release date:2020-09-02
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
6XF5
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BU of 6xf5 by Molmil
Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (RBDs 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, Spike glycoprotein
Authors:Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2020-06-15
Release date:2020-09-02
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
7YR7
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BU of 7yr7 by Molmil
Cryo-EM structure of Pseudomonas aeruginosa RsmZ RNA in complex with three RsmA protein dimers
Descriptor: RsmZ RNA (118-MER), Translational regulator CsrA
Authors:Jia, X, Pan, Z, Yuan, Y, Luo, B, Luo, Y, Mukherjee, S, Jia, G, Liu, L, Ling, X, Yang, X, Wu, Y, Liu, T, Miao, Z, Wei, X, Bujnicki, J.M, Zhao, K, Su, Z.
Deposit date:2022-08-09
Release date:2023-05-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of sRNA RsmZ regulation of Pseudomonas aeruginosa virulence.
Cell Res., 33, 2023
7YR6
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BU of 7yr6 by Molmil
Cryo-EM structure of Pseudomonas aeruginosa RsmZ RNA in complex with two RsmA protein dimers
Descriptor: RsmZ RNA, Translational regulator CsrA
Authors:Jia, X, Pan, Z, Yuan, Y, Luo, B, Luo, Y, Mukherjee, S, Jia, G, Ling, X, Yang, X, Wu, Y, Liu, T, Wei, X, Bujnick, J.M, Zhao, K, Su, Z.
Deposit date:2022-08-09
Release date:2023-05-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structural basis of sRNA RsmZ regulation of Pseudomonas aeruginosa virulence.
Cell Res., 33, 2023
7YUJ
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BU of 7yuj by Molmil
Crystal structure of HOIL-1L(365-510)
Descriptor: DI(HYDROXYETHYL)ETHER, RanBP-type and C3HC4-type zinc finger-containing protein 1, ZINC ION
Authors:Xiao, L, Pan, L.
Deposit date:2022-08-17
Release date:2023-08-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.865 Å)
Cite:Mechanistic insights into the enzymatic activity of E3 ligase HOIL-1L and its regulation by the linear ubiquitin chain binding.
Sci Adv, 9, 2023
7YUI
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BU of 7yui by Molmil
Crystal structure of HOIL-1L(195-423) in complex with the linear tetra-ubiquitin
Descriptor: Polyubiquitin-C, RanBP-type and C3HC4-type zinc finger-containing protein 1, ZINC ION
Authors:Xiao, L, Pan, L.
Deposit date:2022-08-17
Release date:2023-08-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Mechanistic insights into the enzymatic activity of E3 ligase HOIL-1L and its regulation by the linear ubiquitin chain binding.
Sci Adv, 9, 2023
8A4R
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BU of 8a4r by Molmil
Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii from isotropic orthorhombic data at 3.59 A
Descriptor: PYRROLE-2-CARBOXYLATE, Proline racemase A (AsProR)
Authors:Najmudin, S, Pan, X.-S, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2022-06-13
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Structural and Functional analysis of the Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii
To Be Published

223790

數據於2024-08-14公開中

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