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7DWS
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BU of 7dws by Molmil
The structure of T4 Lysozyme I3C/C54T/R125C/E128C complex with Zinc ions
Descriptor: Endolysin, ZINC ION
Authors:Chen, X, Chen, S.
Deposit date:2021-01-17
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rationally designed protein cross-linked hydrogel for bone regeneration via synergistic release of magnesium and zinc ions.
Biomaterials, 274, 2021
7KWU
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BU of 7kwu by Molmil
Crystal Structure of HIV-1 RT in Complex with 16c (K07-15)
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ...
Authors:Ruiz, F.X, Arnold, E.
Deposit date:2020-12-02
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies.
J.Med.Chem., 64, 2021
4JAI
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BU of 4jai by Molmil
Crystal Structure of Aurora Kinase A in complex with N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide
Descriptor: Aurora kinase A, N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide
Authors:Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S.
Deposit date:2013-02-18
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
8TQE
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BU of 8tqe by Molmil
XptA2 wild type
Descriptor: XptA2
Authors:Martin, C.L, Binshtein, E.M, Aller, S.G.
Deposit date:2023-08-07
Release date:2023-09-27
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structures of the Insecticidal Toxin Complex Subunit XptA2 Highlight Roles for Flexible Domains.
Int J Mol Sci, 24, 2023
8TV0
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BU of 8tv0 by Molmil
XptA2 wild type
Descriptor: XptA2
Authors:Martin, C.L, Aller, S.G.
Deposit date:2023-08-17
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of the Insecticidal Toxin Complex Subunit XptA2 Highlight Roles for Flexible Domains.
Int J Mol Sci, 24, 2023
5FGO
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BU of 5fgo by Molmil
Crystal structure of D. melanogaster Pur-alpha repeat III.
Descriptor: CG1507-PB, isoform B, CHLORIDE ION
Authors:Windhager, A, Janowski, R, Niessing, D.
Deposit date:2015-12-21
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of nucleic-acid recognition and double-strand unwinding by the essential neuronal protein Pur-alpha.
Elife, 5, 2016
8W6P
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BU of 8w6p by Molmil
Crystal structure of dimeric murine SMPDL3A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3a, ...
Authors:Zhang, C, Liu, P, Fan, S, Hou, Y.
Deposit date:2023-08-29
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:SMPDL3A is a cGAMP-degrading enzyme induced by LXR-mediated lipid metabolism to restrict cGAS-STING DNA sensing.
Immunity, 56, 2023
8W6R
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BU of 8w6r by Molmil
murine SMPDL3A bound to sulfate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3a, ...
Authors:Zhang, C, Liu, P, Fan, S.
Deposit date:2023-08-29
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:SMPDL3A is a cGAMP-degrading enzyme induced by LXR-mediated lipid metabolism to restrict cGAS-STING DNA sensing.
Immunity, 56, 2023
5H0K
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BU of 5h0k by Molmil
The crystal structure of WT Pedobacter heparinus SMUG2
Descriptor: Uncharacterized protein
Authors:Xie, W, Cao, W, Pang, P.
Deposit date:2016-10-04
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:SMUG2 DNA glycosylase from Pedobacter heparinus as a new subfamily of the UDG superfamily
Biochem. J., 474, 2017
5H0J
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BU of 5h0j by Molmil
The crystal structure of WT Pedobacter heparinus SMUG2
Descriptor: Uncharacterized protein
Authors:Xie, W, Cao, W, Pang, P.
Deposit date:2016-10-04
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:SMUG2 DNA glycosylase from Pedobacter heparinus as a new subfamily of the UDG superfamily
Biochem. J., 474, 2017
5FGP
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BU of 5fgp by Molmil
Crystal structure of D. melanogaster Pur-alpha repeat I-II in complex with DNA.
Descriptor: CG1507-PB, isoform B, CHLORIDE ION, ...
Authors:Weber, J, Janowski, R, Niessing, D.
Deposit date:2015-12-21
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of nucleic-acid recognition and double-strand unwinding by the essential neuronal protein Pur-alpha.
Elife, 5, 2016
5H5Z
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BU of 5h5z by Molmil
Crystal structure of bony fish MHC class I, peptide and B2m II
Descriptor: Beta-2-microglobulin, MHC class I antigen, peptide chain
Authors:Chen, Z, Zhang, N, Qi, J, Li, X, Chen, R, Wang, Z, Gao, F.G, Xia, C.
Deposit date:2016-11-10
Release date:2017-11-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The Mechanism of beta 2m Molecule-Induced Changes in the Peptide Presentation Profile in a Bony Fish.
Iscience, 23, 2020
8FE8
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BU of 8fe8 by Molmil
Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1
Descriptor: 1,2-ETHANEDIOL, 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile, Reverse transcriptase p51, ...
Authors:Rumrill, S, Ruiz, F.X, Arnold, E.
Deposit date:2022-12-05
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors.
Commun Chem, 6, 2023
3SOU
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BU of 3sou by Molmil
Structure of UHRF1 PHD finger in complex with histone H3 1-9 peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, Histone H3, ZINC ION
Authors:Rajakumara, E, Patel, D.J.
Deposit date:2011-06-30
Release date:2011-08-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8001 Å)
Cite:PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression.
Mol.Cell, 43, 2011
6K2U
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BU of 6k2u by Molmil
Crystal structure of Thr66 ADP-ribosylated ubiquitin
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, Polyubiquitin-C, ...
Authors:Wang, X, Zhou, Y, Zhu, Y.
Deposit date:2019-05-15
Release date:2020-03-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.554 Å)
Cite:Threonine ADP-Ribosylation of Ubiquitin by a Bacterial Effector Family Blocks Host Ubiquitination.
Mol.Cell, 78, 2020
7CU5
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BU of 7cu5 by Molmil
N-Glycosylation of PD-1 and glycosylation dependent binding of PD-1 specific monoclonal antibody camrelizumab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Programmed cell death protein 1, ...
Authors:Liu, K.F, Tan, S.G, Jin, W.J, Guan, J.W, Wang, W.L, Sun, H, Qi, J.X, Yan, J.H, Chai, Y, Wang, Z.F, Chu, X.D, Gao, G.F.
Deposit date:2020-08-21
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:N-glycosylation of PD-1 promotes binding of camrelizumab.
Embo Rep., 21, 2020
3SOW
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BU of 3sow by Molmil
Structure of UHRF1 PHD finger in complex with histone H3K4me3 1-9 peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, Histone H3, ZINC ION
Authors:Rajakumara, E, Patel, D.J.
Deposit date:2011-06-30
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9501 Å)
Cite:PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression.
Mol.Cell, 43, 2011
8HI5
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BU of 8hi5 by Molmil
Crystal structure of the NADP+ and MSA bound C terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
Descriptor: 3-oxidanylidenepropanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
Authors:Zhang, X, Wu, W.P, Xu, X.
Deposit date:2022-11-18
Release date:2023-05-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
8HI4
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BU of 8hi4 by Molmil
Cryo-EM structure of the bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
Descriptor: Short-chain dehydrogenase/reductase SDR
Authors:Zhang, X, Xu, X, Xin, J.
Deposit date:2022-11-18
Release date:2023-05-31
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
8HI6
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BU of 8hi6 by Molmil
Crystal structure of the NADP+ and MSA bound N terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
Descriptor: 3-oxidanylidenepropanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
Authors:Zhang, X, Wu, W.P, Xu, X.
Deposit date:2022-11-18
Release date:2023-05-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
3SV1
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BU of 3sv1 by Molmil
Crystal structure of APP peptide bound rat Mint2 PARM
Descriptor: Amyloid beta A4 precursor protein-binding family A member 2, Amyloid beta A4 protein
Authors:Shen, Y, Long, J, Yan, X, Xie, X.
Deposit date:2011-07-12
Release date:2012-07-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Open-closed motion of Mint2 regulates APP metabolism
J Mol Cell Biol, 5, 2013
7DMO
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BU of 7dmo by Molmil
Crystal structures of two pericyclases catalyzing [4+2] cycloadditions
Descriptor: Diels-Alderase
Authors:Wang, Z.D, Chi, C.B, Ma, M.
Deposit date:2020-12-04
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Fsa2 and Phm7 Catalyzing [4 + 2] Cycloaddition Reactions with Reverse Stereoselectivities in Equisetin and Phomasetin Biosynthesis.
Acs Omega, 6, 2021
7DMN
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BU of 7dmn by Molmil
Crystal structure of two pericyclases catalyzing [4+2] cycloaddition
Descriptor: Diels-Alderase fsa2, GLYCEROL
Authors:Chi, C.B, Wang, Z.D, Liu, T, Zhang, Z.Y, Ma, M.
Deposit date:2020-12-04
Release date:2021-10-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Fsa2 and Phm7 Catalyzing [4 + 2] Cycloaddition Reactions with Reverse Stereoselectivities in Equisetin and Phomasetin Biosynthesis.
Acs Omega, 6, 2021
3RY2
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BU of 3ry2 by Molmil
Wild-type core streptavidin-biotin complex at atomic resolution
Descriptor: BIOTIN, GLYCEROL, Streptavidin
Authors:Stenkamp, R.E, Le Trong, I, Stayton, P.S, Lybrand, T.P.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Streptavidin and its biotin complex at atomic resolution.
Acta Crystallogr.,Sect.D, 67, 2011
7E58
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BU of 7e58 by Molmil
interferon-inducible anti-viral protein 2
Descriptor: Guanylate-binding protein 2
Authors:Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T.
Deposit date:2021-02-18
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021

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