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8C7U
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BU of 8c7u by Molmil
Transcriptional pleiotropic repressor CodY from Enterococcus faecalis in complex with Leu and a 30-bp DNA fragment encompassing two overlapping binding sites
Descriptor: DNA (29-MER), DNA (30-MER), GTP-sensing transcriptional pleiotropic repressor CodY, ...
Authors:Hainzl, T, Sauer-Eriksson, A.E.
Deposit date:2023-01-17
Release date:2023-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural insights into CodY activation and DNA recognition.
Nucleic Acids Res., 51, 2023
8C7O
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BU of 8c7o by Molmil
Unliganded transcriptional pleiotropic repressor CodY from Staphylococcus aureus
Descriptor: ACETATE ION, Global transcriptional regulator CodY, SULFATE ION
Authors:Hainzl, T, Sauer-Eriksson, A.E.
Deposit date:2023-01-16
Release date:2023-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into CodY activation and DNA recognition.
Nucleic Acids Res., 51, 2023
8C7T
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BU of 8c7t by Molmil
Unliganded transcriptional pleiotropic repressor CodY from Enterococcus faecalis
Descriptor: GTP-sensing transcriptional pleiotropic repressor CodY
Authors:Hainzl, T, Sauer-Eriksson, A.E.
Deposit date:2023-01-17
Release date:2023-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural insights into CodY activation and DNA recognition.
Nucleic Acids Res., 51, 2023
1H7M
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BU of 1h7m by Molmil
Ribosomal Protein L30e from Thermococcus celer
Descriptor: 50S RIBOSOMAL PROTEIN L30E
Authors:Chen, Y.W, Wong, K.B.
Deposit date:2001-07-09
Release date:2003-04-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structure of Ribosomal Protein L30E from the Extreme Thermophile Thermocccus Celer: Thermal Stability and RNA Binding
Biochemistry, 42, 2003
4AGW
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BU of 4agw by Molmil
Discovery of a small molecule type II inhibitor of wild-type and gatekeeper mutants of BCR-ABL, PDGFRalpha, Kit, and Src kinases
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide, GLYCEROL, ...
Authors:Weisberg, E, Choi, H.G, Seeliger, M, Gray, N, Griffin, J.D.
Deposit date:2012-02-01
Release date:2012-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of a Small-Molecule Type II Inhibitor of Wild-Type and Gatekeeper Mutants of Bcr-Abl, Pdgfralpha, Kit, and Src Kinases: Novel Type II Inhibitor of Gatekeeper Mutants.
Blood, 115, 2010
7EAM
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BU of 7eam by Molmil
immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 7D6
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 protein S1, ...
Authors:Li, T.T, Gu, Y, Li, S.W.
Deposit date:2021-03-07
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Nat Commun, 12, 2021
3C0C
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BU of 3c0c by Molmil
X-ray Crystal Structure of the Rat Endophilin A2 SH3 Domain
Descriptor: Endophilin-A2
Authors:Loll, P.J, Swain, E.
Deposit date:2008-01-19
Release date:2008-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the SH3 domain of rat endophilin A2
To be Published
7EAN
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BU of 7ean by Molmil
immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 6D6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 cross-neutralizing mAb 6D6, Light chain of SARS-CoV-2 cross-neutralizing mAb 6D6, ...
Authors:Li, T.T, Gu, Y, Li, S.W.
Deposit date:2021-03-07
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Nat Commun, 12, 2021
5WMA
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BU of 5wma by Molmil
N-terminal bromodomain of BRD4 in complex with PLX5981
Descriptor: 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Bromodomain-containing protein 4
Authors:Zhang, Y.
Deposit date:2017-07-28
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
2KOI
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BU of 2koi by Molmil
Refined solution structure of a cyanobacterial phytochrome GAF domain in the red light-absorbing ground state
Descriptor: PHYCOCYANOBILIN, Sensor protein
Authors:Cornilescu, C.C, Cornilescu, G, Ulijasz, A.T, Vierstra, R.D, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2009-09-22
Release date:2009-11-03
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structural basis for the photoconversion of a phytochrome to the activated Pfr form
Nature, 463, 2010
2KV8
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BU of 2kv8 by Molmil
Solution structure ofRGS12 PDZ domain
Descriptor: Regulator of G-protein signaling 12
Authors:Lu, G, Ji, P, Huang, H.
Deposit date:2010-03-10
Release date:2011-03-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Determining the Molecular Basis for the pH-dependent Interaction between the PDZ of Human RGS12 and MEK2
To be Published
5Z6Z
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BU of 5z6z by Molmil
Crystal structure of human DUX4 homeodomains bound to DNA
Descriptor: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4
Authors:Li, Y.Y, Wu, B.X, Gan, J.H.
Deposit date:2018-01-26
Release date:2018-10-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
2GYT
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BU of 2gyt by Molmil
Solution structure of the SAM (sterile alpha motif) domain of DLC1 (deleted in liver cancer 1)
Descriptor: Deleted in liver cancer 1 protein, isoform 2
Authors:Yang, S.
Deposit date:2006-05-10
Release date:2007-04-24
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The SAM domain of the RhoGAP DLC1 binds EF1A1 to regulate cell migration
J.Cell.Sci., 122, 2009
6A5W
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BU of 6a5w by Molmil
FXR-LBD with HNC143 and SRC1
Descriptor: 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1
Authors:Wang, N, Liu, J.
Deposit date:2018-06-25
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
7WN1
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BU of 7wn1 by Molmil
Structure of PfNT1(Y190A) in complex with nanobody 48 and inosine
Descriptor: Equilibrative nucleoside/nucleobase transporter, INOSINE, nanobody48
Authors:Wang, C, Deng, D, Ren, R.B, Yu, L.Y.
Deposit date:2022-01-17
Release date:2023-02-01
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
7WP6
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BU of 7wp6 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK in complex with three neutralizing antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 36H6 heavy chain, ...
Authors:Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
Deposit date:2022-01-23
Release date:2023-03-01
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
7WP8
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BU of 7wp8 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK1628x in complex with three neutralizing antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2B4 heavy chain, ...
Authors:Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
Deposit date:2022-01-23
Release date:2023-03-08
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
5DSX
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BU of 5dsx by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD10 [6'-chloro-1,4-dimethyl-5'-(2-methyl-6-((4-(methylamino)pyrimidin-2-yl)amino)-1H-indol-1-yl)-[3,3'-bipyridin]-2(1H)-one]
Descriptor: 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1H-indol-1-yl)-3,3'-bipyridin-2(1H)-one, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-17
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DT2
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BU of 5dt2 by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD11 [N4-methyl-N2-(2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl)pyrimidine-2,4-diamine]
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-17
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
3KU0
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BU of 3ku0 by Molmil
Structure of GAP31 with adenine at its binding pocket
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein gelonin
Authors:Kong, X.-P.
Deposit date:2009-11-26
Release date:2010-01-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions.
Biochem.Biophys.Res.Commun., 391, 2010
5XK8
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BU of 5xk8 by Molmil
Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with GPP
Descriptor: GERANYL DIPHOSPHATE, MAGNESIUM ION, Undecaprenyl diphosphate synthase
Authors:Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
Deposit date:2017-05-05
Release date:2018-01-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
6A5Y
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BU of 6a5y by Molmil
Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC143 and 9cRA and SRC1
Descriptor: (9cis)-retinoic acid, 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, ...
Authors:Wang, N, Liu, J.
Deposit date:2018-06-25
Release date:2018-10-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
7YHK
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BU of 7yhk by Molmil
Cryo-EM structure of the HA trimer of A/Beijing/262/1995(H1N1) in complex with neutralizing antibody 12H5
Descriptor: 12H5 heavy chain, 12H5 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zheng, Q, Li, S, Li, T, Xue, W, Sun, H.
Deposit date:2022-07-13
Release date:2022-08-17
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
6A5X
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BU of 6a5x by Molmil
FXR-LBD with HNC180 and SRC1
Descriptor: 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Wang, N, Liu, J.
Deposit date:2018-06-25
Release date:2018-10-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
3PY5
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BU of 3py5 by Molmil
Crystal structure of a beta-lactamase-like protein from brucella melitensis bound to AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Beta-lactamase-like, L(+)-TARTARIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-12-11
Release date:2010-12-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:BrabA.11339.a: anomalous diffraction and ligand binding guide towards the elucidation of the function of a `putative beta-lactamase-like protein from Brucella melitensis.
Acta Crystallogr.,Sect.F, 67, 2011

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