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8W4V
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BU of 8w4v by Molmil
Crystal structure of human HSP90 in complex with compound 4
Descriptor: 4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Xu, C, Zhang, X.L, Bai, F.
Deposit date:2023-08-25
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies.
Jacs Au, 4, 2024
8W8K
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BU of 8w8k by Molmil
Crystal structures of HSP90 and the compound Ganetespid in the "closed" conformation
Descriptor: 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Xu, C, Zhang, X.L, Bai, F.
Deposit date:2023-09-03
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies.
Jacs Au, 4, 2024
1SJ6
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BU of 1sj6 by Molmil
NMR Structure and Regulated Expression in APL Cell of Human SH3BGRL3
Descriptor: SH3 domain-binding glutamic acid-rich-like protein 3
Authors:Xu, C, Tang, Y, Xu, Y, Wu, J, Shi, Y, Zhang, Q, Zheng, P, Du, Y.
Deposit date:2004-03-03
Release date:2005-03-22
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR structure and regulated expression in APL cell of human SH3BGRL3.
Febs Lett., 579, 2005
6TMS
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BU of 6tms by Molmil
Crystal structure of a de novo designed hexameric helical-bundle protein
Descriptor: SULFATE ION, a novel designed pore protein, affinity purification tag
Authors:Xu, C, Pei, X.Y, Luisi, B.F, Baker, D.
Deposit date:2019-12-05
Release date:2020-04-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Computational design of transmembrane pores.
Nature, 585, 2020
6TJ1
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BU of 6tj1 by Molmil
Crystal structure of a de novo designed hexameric helical-bundle protein
Descriptor: De novo designed WSHC6, purification tag
Authors:Xu, C, Pei, X.Y, Luisi, B.F, Baker, D.
Deposit date:2019-11-23
Release date:2020-04-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computational design of transmembrane pores.
Nature, 585, 2020
3UZD
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BU of 3uzd by Molmil
Crystal structure of 14-3-3 GAMMA
Descriptor: 14-3-3 protein gamma, Histone deacetylase 4, MAGNESIUM ION, ...
Authors:Xu, C, Bian, C, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-12-07
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
1KJU
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BU of 1kju by Molmil
Ca2+-ATPase in the E2 State
Descriptor: Sarcoplasmic/endoplasmic reticulum calcium ATPase 1a
Authors:Xu, C, Rice, W.J, He, W, Stokes, D.L.
Deposit date:2001-12-05
Release date:2001-12-19
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (6 Å)
Cite:A structural model for the catalytic cycle of Ca(2+)-ATPase.
J.Mol.Biol., 316, 2002
6P0X
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BU of 6p0x by Molmil
Structure of the N-terminal domain of effector protein SpvB from Salmonella typhimurium strain LT2
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACRYLIC ACID, GLYCEROL, ...
Authors:Xu, C, Boniecki, M, Cygler, M.
Deposit date:2019-05-17
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the N-terminal domain of effector protein SpvB from Salmonella typhimurium strain LT2
To Be Published
3QMH
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BU of 3qmh by Molmil
Structural Basis of Selective Binding of Non-Methylated CpG islands (DNA-TCGA) by the CXXC Domain of CFP1
Descriptor: 5'-D(*GP*CP*CP*AP*TP*CP*GP*AP*TP*GP*GP*C)-3', CpG-binding protein, ZINC ION
Authors:Xu, C, Bian, C, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-02-04
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structural basis for selective binding of non-methylated CpG islands by the CFP1 CXXC domain.
Nat Commun, 2, 2011
1XWN
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BU of 1xwn by Molmil
solution structure of cyclophilin like 1(PPIL1) and insights into its interaction with SKIP
Descriptor: Peptidyl-prolyl cis-trans isomerase like 1
Authors:Xu, C, Xu, Y, Tang, Y, Wu, J, Shi, Y, Huang, Q, Zhang, Q.
Deposit date:2004-11-01
Release date:2005-10-18
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure of human peptidyl prolyl isomerase like protein 1 and insights into its interaction with SKIP
J.Biol.Chem., 281, 2006
3QMI
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BU of 3qmi by Molmil
Structural Basis of Selective Binding of Non-Methylated CpG islands (DNA-ACGT) by the CXXC Domain of CFP1
Descriptor: 5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3', CpG-binding protein, DI(HYDROXYETHYL)ETHER, ...
Authors:Xu, C, Bian, C, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-02-04
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structural basis for selective binding of non-methylated CpG islands by the CFP1 CXXC domain.
Nat Commun, 2, 2011
3QMG
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BU of 3qmg by Molmil
Structural Basis of Selective Binding of Non-Methylated CpG islands by the CXXC Domain of CFP1
Descriptor: 5'-D(*GP*CP*CP*AP*AP*CP*GP*GP*TP*GP*GP*C)-3', 5'-D(*GP*CP*CP*AP*CP*CP*GP*TP*TP*GP*GP*C)-3', CpG-binding protein, ...
Authors:Xu, C, Bian, C, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-02-04
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structural basis for selective binding of non-methylated CpG islands by the CFP1 CXXC domain.
Nat Commun, 2, 2011
4HBD
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BU of 4hbd by Molmil
Crystal structure of KANK2 ankyrin repeats
Descriptor: KN motif and ankyrin repeat domain-containing protein 2, UNKNOWN ATOM OR ION
Authors:Xu, C, Tempel, W, Cerovina, T, El Bakkouri, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-09-27
Release date:2012-12-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structure of KANK2 ankyrin repeats
To be Published
3JPX
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BU of 3jpx by Molmil
EED: A Novel Histone Trimethyllysine Binder Within The EED-EZH2 Polycomb Complex
Descriptor: HISTONE PEPTIDE, Polycomb protein EED
Authors:Xu, C, Bian, C.B, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-09-04
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).
Proc.Natl.Acad.Sci.USA, 107, 2010
3JZG
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BU of 3jzg by Molmil
Structure of EED in complex with H3K27me3
Descriptor: HISTONE PEPTIDE, Polycomb protein EED
Authors:Xu, C, Bian, C.B, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-09-23
Release date:2009-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).
Proc.Natl.Acad.Sci.USA, 107, 2010
3JZH
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BU of 3jzh by Molmil
EED-H3K79me3
Descriptor: HISTONE PEPTIDE, Polycomb protein EED
Authors:Xu, C, Bian, C.B, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-09-23
Release date:2009-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).
Proc.Natl.Acad.Sci.USA, 107, 2010
4LG9
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BU of 4lg9 by Molmil
Crystal structure of TBL1XR1 WD40 repeats
Descriptor: F-box-like/WD repeat-containing protein TBL1XR1, UNKNOWN ATOM OR ION
Authors:Xu, C, Tempel, W, He, H, Wu, X, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-06-27
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of TBL1XR1 WD40 repeats
TO BE PUBLISHED
4LG7
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BU of 4lg7 by Molmil
Crystal structure MBD4 MBD domain in complex with methylated CpG DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 4, UNKNOWN ATOM OR ION
Authors:Xu, C, Tempel, W, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-06-27
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure MBD4 MBD domain in complex with methylated CpG DNA
To be Published
3JZN
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BU of 3jzn by Molmil
Structure of EED in apo form
Descriptor: Polycomb protein EED
Authors:Xu, C, Bian, C.B, Ouyang, H, Qiu, W, MacKenzie, F, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-09-23
Release date:2009-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).
Proc.Natl.Acad.Sci.USA, 107, 2010
8SR6
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BU of 8sr6 by Molmil
Crystal structure of legAS4 from Legionella pneumophila subsp. pneumophila with histone H3 (3-17)peptide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Eukaryotic huntingtin interacting protein B, ...
Authors:Xu, C, Chung, I.Y.W, Cygler, M.
Deposit date:2023-05-05
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Histone methyltransferase activity of the secreted Legionella pneumophila SET-domain effector RomA/LegAS4 depends on its ankyrin domain
To Be Published
4R3H
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BU of 4r3h by Molmil
The crystal structure of an apo RNA binding protein
Descriptor: SULFATE ION, UNKNOWN ATOM OR ION, YTH domain-containing protein 1
Authors:Xu, C, Liu, K, Tempel, W, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-08-15
Release date:2014-09-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for selective binding of m(6)A RNA by the YTHDC1 YTH domain.
Nat.Chem.Biol., 10, 2014
3SO8
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BU of 3so8 by Molmil
Crystal Structure of ANKRA
Descriptor: Ankyrin repeat family A protein 2
Authors:Xu, C, Bochkarev, A, Bian, C.B, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-06-30
Release date:2011-10-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
4I79
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BU of 4i79 by Molmil
Crystal structure of human NUP43
Descriptor: Nucleoporin Nup43, UNKNOWN ATOM OR ION, floating chain, ...
Authors:Xu, C, Tempel, W, Li, Z, He, H, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-11-30
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of human nuclear pore complex component NUP43.
Febs Lett., 589, 2015
4PXW
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BU of 4pxw by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L)
Descriptor: Protein VPRBP, UNKNOWN ATOM OR ION
Authors:Xu, C, Tempel, W, He, H, Li, Y, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-03-25
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structure of human DCAF1 WD40 repeats (Q1250L)
TO BE PUBLISHED
4QQI
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BU of 4qqi by Molmil
Crystal structure of ANKRA2-RFX7 complex
Descriptor: Ankyrin repeat family A protein 2, DNA-binding protein RFX7, SULFATE ION, ...
Authors:Xu, C, Tempel, W, Dong, A, Mackenzie, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-06-27
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of ANKRA2-RFX7 complex
To Be Published

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PDB entries from 2024-05-15

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