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5VSE
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BU of 5vse by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 17: N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
Descriptor: Histone-lysine N-methyltransferase EHMT2, N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine, S-ADENOSYLMETHIONINE, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2017-05-11
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
5VSD
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BU of 5vsd by Molmil
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 13
Descriptor: 1,4-DIETHYLENE DIOXIDE, 6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine, GLYCEROL, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2017-05-11
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
2QP8
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BU of 2qp8 by Molmil
Structure of BACE Bound to SCH734723
Descriptor: Beta-secretase 1, D(-)-TARTARIC ACID, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-YL]-2-HYDROXYETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
Authors:Strickland, C.O, Iserloh, U.
Deposit date:2007-07-23
Release date:2008-03-11
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Potent pyrrolidine- and piperidine-based BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
2QK5
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BU of 2qk5 by Molmil
Structure of BACE1 bound to SCH626485
Descriptor: Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
Authors:Strickland, C.O, Iserloh, U.
Deposit date:2007-07-10
Release date:2008-03-11
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Potent pyrrolidine- and piperidine-based BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
2QMF
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BU of 2qmf by Molmil
Structure of BACE Bound to SCH735310
Descriptor: Beta-secretase 1, D(-)-TARTARIC ACID, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
Authors:Strickland, C.O, Iserloh, U.
Deposit date:2007-07-16
Release date:2008-03-11
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Potent pyrrolidine- and piperidine-based BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
2QVR
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BU of 2qvr by Molmil
E. coli Fructose-1,6-bisphosphatase: Citrate, Fru-2,6-P2, and Mg2+ bound
Descriptor: 2,6-di-O-phosphono-beta-D-fructofuranose, CITRIC ACID, Fructose-1,6-bisphosphatase, ...
Authors:Hines, J.K, Fromm, H.J, Honzatko, R.B.
Deposit date:2007-08-08
Release date:2007-10-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structures of Mammalian and Bacterial Fructose-1,6-bisphosphatase Reveal the Basis for Synergism in AMP/Fructose 2,6-Bisphosphate Inhibition.
J.Biol.Chem., 282, 2007
2R2Y
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BU of 2r2y by Molmil
Crystal structure of the proteasomal Rpn13 PRU-domain
Descriptor: Protein ADRM1
Authors:Groll, M, Walters, K, Dikic, I, Finley, D.
Deposit date:2007-08-28
Release date:2008-05-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ubiquitin docking at the proteasome through a novel pleckstrin-homology domain interaction.
Nature, 453, 2008
2QMD
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BU of 2qmd by Molmil
Structure of BACE Bound to SCH722924
Descriptor: Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN-2-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
Authors:Strickland, C.O, Iserloh, U.
Deposit date:2007-07-16
Release date:2008-03-11
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Potent pyrrolidine- and piperidine-based BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
6KI3
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BU of 6ki3 by Molmil
The crystal structure of AsfvAP:dF commplex
Descriptor: DNA (5'-D(*CP*CP*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*GP*CP*TP*G)-3'), DNA (5'-D(*GP*CP*AP*GP*CP*GP*TP*CP*C)-3'), DNA (5'-D(P*(3DR)P*CP*GP*AP*CP*GP*AP*G)-3'), ...
Authors:Chen, Y, Gan, J.
Deposit date:2019-07-17
Release date:2020-05-27
Method:X-RAY DIFFRACTION (2.354 Å)
Cite:A unique DNA-binding mode of African swine fever virus AP endonuclease.
Cell Discov, 6, 2020
7JM5
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BU of 7jm5 by Molmil
Crystal structure of KDM4B in complex with QC6352
Descriptor: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-07-31
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
7VYO
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BU of 7vyo by Molmil
The structure of GdmN
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-14
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
5XGK
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BU of 5xgk by Molmil
Crystal structure of Arabidopsis thaliana 4-hydroxyphenylpyruvate dioxygenase (AtHPPD) complexed with its substrate 4-hydroxyphenylpyruvate acid (HPPA)
Descriptor: (2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid, 4-hydroxyphenylpyruvate dioxygenase, ACETATE ION, ...
Authors:Yang, G.F, Yang, W.C, Lin, H.Y.
Deposit date:2017-04-14
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of 4-Hydroxyphenylpyruvate Dioxygenase in Complex with Substrate Reveals a New Starting Point for Herbicide Discovery.
Res, 2019, 2019
6JBZ
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BU of 6jbz by Molmil
Structural analysis of molybdopterin synthases from two mycobacteria pathogens
Descriptor: MoaD/ThiS family protein, Molybdenum cofactor biosynthesis protein E, SULFATE ION
Authors:Wang, H.Y, Liu, X.
Deposit date:2019-01-27
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Structural analysis of molybdopterin synthases from two mycobacterial pathogens.
Biochem. Biophys. Res. Commun., 511, 2019
6JC0
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BU of 6jc0 by Molmil
Structural analysis of molybdopterin synthases from two mycobacteria pathogens
Descriptor: Putative molybdenum cofactor biosynthesis protein, Putative molybdenum cofactor biosynthesis protein D2 (MoaD2) / thiamine S
Authors:Liu, X, Wang, H.Y.
Deposit date:2019-01-27
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of molybdopterin synthases from two mycobacterial pathogens.
Biochem. Biophys. Res. Commun., 511, 2019
5ZFZ
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BU of 5zfz by Molmil
Crystal structure of human DUX4 homeodomains bound to A12T DNA mutant
Descriptor: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*TP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*AP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
Authors:Li, Y.Y, Wu, B.X, Gan, J.H.
Deposit date:2018-03-07
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
5YZ1
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BU of 5yz1 by Molmil
Crystal structure of human Archease
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Protein archease
Authors:Duan, S.Y, Li, J.X.
Deposit date:2017-12-11
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of human archease, a key cofactor of tRNA splicing ligase complex.
Int.J.Biochem.Cell Biol., 122, 2020
5Z8N
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BU of 5z8n by Molmil
Crystal structure of Arabidopsis thaliana EBS C-terminal deletion construct in complex with an H3K4me2 peptide
Descriptor: Chromatin remodeling protein EBS, H3K4me2 peptide, ZINC ION
Authors:Yang, Z, Du, J.
Deposit date:2018-01-31
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:EBS is a bivalent histone reader that regulates floral phase transition in Arabidopsis.
Nat. Genet., 50, 2018
5Z8L
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BU of 5z8l by Molmil
crystal structure of Arabidopsis thaliana EBS in complex with an H3K27me3 peptide
Descriptor: Chromatin remodeling protein EBS, H3K27me3 peptide, ZINC ION
Authors:Yang, Z, Du, J.
Deposit date:2018-01-31
Release date:2018-07-25
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:EBS is a bivalent histone reader that regulates floral phase transition in Arabidopsis.
Nat. Genet., 50, 2018
5Z9S
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BU of 5z9s by Molmil
Functional and Structural Characterization of a beta-Glucosidase Involved in Saponin Metabolism from Intestinal Bacteria
Descriptor: Glycosyl hydrolase family 3 protein, beta-D-glucopyranose
Authors:Yan, S, Wei, P.C, Li, J.R.
Deposit date:2018-02-05
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Functional and structural characterization of a beta-glucosidase involved in saponin metabolism from intestinal bacteria.
Biochem. Biophys. Res. Commun., 496, 2018
5ZFW
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BU of 5zfw by Molmil
Crystal structure of human DUX4 homeodomains bound to A11G DNA mutant
Descriptor: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*GP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*CP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
Authors:Li, Y.Y, Wu, B.X, Gan, J.H.
Deposit date:2018-03-07
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
5WCA
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BU of 5wca by Molmil
Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 27-1C08 Fab.
Descriptor: VRC315 27-1C08 Fab Heavy chain, VRC315 27-1C08 Fab Light chain
Authors:Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D.
Deposit date:2017-06-29
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.369 Å)
Cite:Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans.
Sci Immunol, 2, 2017
5ZFY
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BU of 5zfy by Molmil
Crystal structure of human DUX4 homeodomains bound to A12C DNA mutant
Descriptor: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*CP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*GP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
Authors:Li, Y.Y, Wu, B.X, Gan, J.H.
Deposit date:2018-03-07
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
5WCD
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BU of 5wcd by Molmil
Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 04-1D02 Fab.
Descriptor: PHOSPHATE ION, SULFATE ION, VRC315 04-1D02 Fab Heavy chain, ...
Authors:Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D.
Deposit date:2017-06-29
Release date:2017-08-23
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.814 Å)
Cite:Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans.
Sci Immunol, 2, 2017
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
5ZYT
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BU of 5zyt by Molmil
Crystal structure of human MGME1 with 3' overhang double strand DNA3
Descriptor: DNA (5'-D(P*CP*TP*TP*CP*TP*TP*CP*C)-3'), Mitochondrial genome maintenance exonuclease 1
Authors:Yang, C, Gan, J.
Deposit date:2018-05-28
Release date:2018-09-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Structural insights into DNA degradation by human mitochondrial nuclease MGME1
Nucleic Acids Res., 46, 2018

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數據於2024-08-14公開中

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