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5XFN
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BU of 5xfn by Molmil
Structure of the N-terminal domains of PHF1
Descriptor: PHD finger protein 1, ZINC ION
Authors:Wang, Z, Li, H.
Deposit date:2017-04-11
Release date:2017-09-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Polycomb-like proteins link the PRC2 complex to CpG islands
Nature, 549, 2017
5XFR
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BU of 5xfr by Molmil
Ternary complex of MTF2, DNA and histone
Descriptor: DNA (5'-D(*GP*GP*GP*CP*GP*GP*CP*CP*GP*CP*CP*CP*T)-3'), Metal-response element-binding transcription factor 2, Peptide from Histone H3.1, ...
Authors:Wang, Z, Li, H.
Deposit date:2017-04-11
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Polycomb-like proteins link the PRC2 complex to CpG islands
Nature, 549, 2017
6KXR
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BU of 6kxr by Molmil
Crystal structure of wild type Alp1U from the biosynthesis of kinamycins
Descriptor: D-MALATE, Putative hydrolase
Authors:Zhang, L, Yingli, Z, De, B.C, Zhang, C.
Deposit date:2019-09-12
Release date:2020-09-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45073676 Å)
Cite:Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U.
J.Biol.Chem., 295, 2020
6KXH
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BU of 6kxh by Molmil
Alp1U_Y247F mutant in complex with Fluostatin C
Descriptor: D-MALATE, Fluostatin C, Putative hydrolase, ...
Authors:Zhang, L, Yingli, Z, De, B.C, Zhang, C.
Deposit date:2019-09-11
Release date:2020-09-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.78039551 Å)
Cite:Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U.
J.Biol.Chem., 295, 2020
5XFP
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BU of 5xfp by Molmil
Binary complex of PHF1 and a double stranded DNA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*GP*GP*GP*CP*GP*GP*CP*CP*GP*CP*CP*CP*T)-3'), PHD finger protein 1, ...
Authors:Wang, Z, Li, H.
Deposit date:2017-04-11
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Polycomb-like proteins link the PRC2 complex to CpG islands
Nature, 549, 2017
5XFQ
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BU of 5xfq by Molmil
Ternary complex of PHF1, a DNA duplex and a histone peptide
Descriptor: DNA (5'-D(*GP*GP*GP*CP*GP*GP*CP*CP*GP*CP*CP*CP*T)-3'), PHD finger protein 1, Peptide from Histone H3, ...
Authors:Wang, Z, Li, H.
Deposit date:2017-04-11
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Polycomb-like proteins link the PRC2 complex to CpG islands
Nature, 549, 2017
5XFO
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BU of 5xfo by Molmil
Structure of the N-terminal domains of PHF1
Descriptor: PHD finger protein 1, ZINC ION
Authors:Wang, Z, Li, H.
Deposit date:2017-04-11
Release date:2017-09-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Polycomb-like proteins link the PRC2 complex to CpG islands
Nature, 549, 2017
8JNQ
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BU of 8jnq by Molmil
Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with a substrate compound c
Descriptor: (1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Jiang, P, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-06
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JNP
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BU of 8jnp by Molmil
Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with the substrate ikarugamycin
Descriptor: (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione, Cytochrome P450 CftA, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, P, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-06
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
4ZSE
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BU of 4zse by Molmil
Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II
Descriptor: 1,2-ETHANEDIOL, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Yan, X.E, Yun, C.H.
Deposit date:2015-05-13
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Ibrutinib Selectively and Irreversibly Targets EGFR-mutant non-Small Cell Lung Cancer Cells
To Be Published
5AN3
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BU of 5an3 by Molmil
Structure of an Sgt1-Skp1 Complex
Descriptor: SGT1, SUPPRESSOR OF KINETOCHORE PROTEIN 1
Authors:Willhoft, O, Vaughan, C.K.
Deposit date:2015-09-03
Release date:2017-02-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The crystal structure of the Sgt1-Skp1 complex: the link between Hsp90 and both SCF E3 ubiquitin ligases and kinetochores.
Sci Rep, 7, 2017
6KZ8
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BU of 6kz8 by Molmil
Crystal structure of plant Phospholipase D alpha complex with phosphatidic acid
Descriptor: 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, CALCIUM ION, Phospholipase D alpha 1
Authors:Li, J.X, Yu, F, Zhang, P.
Deposit date:2019-09-23
Release date:2019-11-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:Crystal structure of plant PLD alpha 1 reveals catalytic and regulatory mechanisms of eukaryotic phospholipase D.
Cell Res., 30, 2020
6KZ9
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BU of 6kz9 by Molmil
Crystal structure of plant Phospholipase D alpha
Descriptor: CALCIUM ION, Phospholipase D alpha 1
Authors:Li, J.X, Yu, F, Zhang, P.
Deposit date:2019-09-23
Release date:2019-10-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal structure of plant PLD alpha 1 reveals catalytic and regulatory mechanisms of eukaryotic phospholipase D.
Cell Res., 30, 2020
4ZSA
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BU of 4zsa by Molmil
Crystal structure of FGFR1 kinase domain in complex with 7n
Descriptor: 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-2H-indazol-3-yl]benzamide, Fibroblast growth factor receptor 1
Authors:Liu, Q.F, Xu, Y.C.
Deposit date:2015-05-13
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis and biological evaluation of novel FGFR inhibitors bearing an indazole scaffold.
Org.Biomol.Chem., 13, 2015
5GNE
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BU of 5gne by Molmil
Crystal structure of LapB from Legionella pneumophila
Descriptor: Leucine aminopeptidase, SULFATE ION, ZINC ION
Authors:Zhang, N, Ge, H.
Deposit date:2016-07-20
Release date:2017-08-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure and Biochemical Characterization of an Aminopeptidase LapB from Legionella pneumophila.
J. Agric. Food Chem., 65, 2017
6XO3
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BU of 6xo3 by Molmil
ScoE with alpha-ketoglutarate in an off-site
Descriptor: 2-OXOGLUTARIC ACID, CHLORIDE ION, FE (II) ION, ...
Authors:Jonnalagadda, R, Drennan, C.L.
Deposit date:2020-07-06
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase.
J.Biol.Chem., 296, 2021
6XOJ
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BU of 6xoj by Molmil
ScoE with the CABA substrate bound and alpha-ketoglutarate in an off-site
Descriptor: (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, 2-OXOGLUTARIC ACID, ACETATE ION, ...
Authors:Jonnalagadda, R, Drennan, C.L.
Deposit date:2020-07-07
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase.
J.Biol.Chem., 296, 2021
4FGX
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BU of 4fgx by Molmil
Crystal structure of bace1 with novel inhibitor
Descriptor: Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ...
Authors:Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
Deposit date:2012-06-05
Release date:2013-01-16
Last modified:2021-09-15
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
4AW5
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BU of 4aw5 by Molmil
Complex of the EphB4 kinase domain with an oxindole inhibitor
Descriptor: (3Z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1H-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2H-indol-2-one, EPHRIN TYPE-B RECEPTOR 4
Authors:Till, J.H, Stout, T.J.
Deposit date:2012-05-31
Release date:2012-08-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Potent Receptor Tyrosine Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
6XN6
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BU of 6xn6 by Molmil
ScoE with the CABA substrate bound and His299 and Arg157 flipped out
Descriptor: (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Jonnalagadda, R, Drennan, C.L.
Deposit date:2020-07-02
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase.
J.Biol.Chem., 296, 2021
6XPA
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BU of 6xpa by Molmil
ScoE with oxovanadium and the CABA substrate bound and His299 and Arg157 flipped out
Descriptor: (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Jonnalagadda, R, Drennan, C.L.
Deposit date:2020-07-08
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase.
J.Biol.Chem., 296, 2021
5J8R
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BU of 5j8r by Molmil
Crystal Structure of the Catalytic Domain of Human Protein Tyrosine Phosphatase non-receptor Type 12 - K61R mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 12
Authors:Li, H, Yang, F, Xu, Y.F, Wang, W.J, Xiao, P, Yu, X, Sun, J.P.
Deposit date:2016-04-08
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.043 Å)
Cite:Crystal structure and substrate specificity of PTPN12.
Cell Rep, 15, 2016
5U5S
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BU of 5u5s by Molmil
Solution structures of Brd2 second bromodomain in complex with stat3 peptide
Descriptor: Bromodomain-containing protein 2, Stat3 peptide
Authors:Zeng, L, Zhou, M.-M.
Deposit date:2016-12-07
Release date:2017-03-22
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Distinct Roles of Brd2 and Brd4 in Potentiating the Transcriptional Program for Th17 Cell Differentiation.
Mol. Cell, 65, 2017
7VWP
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BU of 7vwp by Molmil
Structure of the flavin-dependent monooxygenase FlsO1 from the biosynthesis of fluostatinsin
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FlsO1, PHOSPHATE ION, ...
Authors:Zhang, Y, Yang, C, Zhang, L, Zhang, C.
Deposit date:2021-11-11
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Biochemical and structural insights of multifunctional flavin-dependent monooxygenase FlsO1-catalyzed unexpected xanthone formation
Nat Commun, 13, 2022
3N9M
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BU of 3n9m by Molmil
ceKDM7A from C.elegans, alone
Descriptor: FE (II) ION, Putative uncharacterized protein, ZINC ION
Authors:Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y.
Deposit date:2010-05-31
Release date:2010-06-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010

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