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PDB: 542 results

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
5OPX
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BU of 5opx by Molmil
Crystal structure of the GroEL mutant A109C in complex with GroES and ADP BeF2
Descriptor: 10 kDa chaperonin, 60 kDa chaperonin, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Yan, X, Shi, Q, Bracher, A, Milicic, G, Singh, A.K, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2017-08-10
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:GroEL Ring Separation and Exchange in the Chaperonin Reaction.
Cell, 172, 2018
5OPW
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BU of 5opw by Molmil
Crystal structure of the GroEL mutant A109C
Descriptor: 60 kDa chaperonin
Authors:Yan, X, Shi, Q, Bracher, A, Milicic, G, Singh, A.K, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2017-08-10
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:GroEL Ring Separation and Exchange in the Chaperonin Reaction.
Cell, 172, 2018
4AIA
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BU of 4aia by Molmil
The structural basis of 3-methyladenine recognition by 3- methyladenine DNA glycosylase I (TAG) from Staphylococcus aureus
Descriptor: 3-METHYL-3H-PURIN-6-YLAMINE, DNA-3-METHYLADENINE GLYCOSYLASE I, SULFATE ION, ...
Authors:Yan, X, Naismith, J.H.
Deposit date:2012-02-08
Release date:2012-02-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Model for 3-Methyladenine Recognition by 3-Methyladenine DNA Glycosylase I (Tag) from Staphylococcus Aureus.
Acta Crystallogr.,Sect.F, 68, 2012
5K5X
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BU of 5k5x by Molmil
Crystal structure of human PDGFRA
Descriptor: Platelet-derived growth factor receptor alpha, SULFATE ION
Authors:Yan, X.E, Liang, L, Yun, C.H.
Deposit date:2016-05-24
Release date:2016-08-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.168 Å)
Cite:Structural and biochemical studies of the PDGFRA kinase domain
Biochem.Biophys.Res.Commun., 477, 2016
6XKC
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BU of 6xkc by Molmil
Crystal structure of E3 ligase
Descriptor: Protein fem-1 homolog C
Authors:Yan, X, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Dong, C, Structural Genomics Consortium (SGC)
Deposit date:2020-06-26
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Molecular basis for ubiquitin ligase CRL2 FEM1C -mediated recognition of C-degron.
Nat.Chem.Biol., 17, 2021
7JYA
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BU of 7jya by Molmil
Crystal structure of E3 ligase in complex with peptide
Descriptor: ASN-ARG-ARG-ARG-ARG-TRP-ARG-GLU-ARG-GLN-ARG, Protein fem-1 homolog C, UNKNOWN ATOM OR ION
Authors:Yan, X, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Dong, C, Structural Genomics Consortium (SGC)
Deposit date:2020-08-30
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Molecular basis for ubiquitin ligase CRL2 FEM1C -mediated recognition of C-degron.
Nat.Chem.Biol., 17, 2021
4I0N
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BU of 4i0n by Molmil
Pore forming protein
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Necrotic enteritis toxin B
Authors:Yan, X, Porter, C.J, Hardy, S.P, Steer, D, Smith, A.I, Quinset, N, Hughes, V, Cheung, J.K, Keyburn, A.L, Kaldhusdal, M, Moore, R.J, Bannam, T.L, Whisstock, J.C, Rood, J.I.
Deposit date:2012-11-16
Release date:2013-03-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional analysis of the pore-forming toxin NetB from Clostridium perfringens
MBio, 4, 2013
8H5Z
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BU of 8h5z by Molmil
Crystal structure of RadD/ATP analogue complex
Descriptor: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Putative DNA repair helicase RadD, ZINC ION
Authors:Yan, X.X, Tian, L.F.
Deposit date:2022-10-14
Release date:2023-10-18
Method:X-RAY DIFFRACTION (3.00002718 Å)
Cite:Biochemical and Structural Analyses Shed Light on the Mechanisms of RadD DNA Binding and Its ATPase from Escherichia coli.
Int J Mol Sci, 24, 2023
8H5Y
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BU of 8h5y by Molmil
Crystal structure of RadD- ADP complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative DNA repair helicase RadD, ...
Authors:Yan, X.X, Tian, L.F.
Deposit date:2022-10-14
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.7001 Å)
Cite:Biochemical and Structural Analyses Shed Light on the Mechanisms of RadD DNA Binding and Its ATPase from Escherichia coli.
Int J Mol Sci, 24, 2023
5GNK
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BU of 5gnk by Molmil
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
Descriptor: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ...
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-07-21
Release date:2017-04-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
Descriptor: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-08-23
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
8HEO
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BU of 8heo by Molmil
Crystal structure of SIAH1 SBD bound to Axin2 peptide
Descriptor: E3 ubiquitin-protein ligase SIAH1, Peptide from Axin-2, ZINC ION
Authors:Yan, X.X, Tian, L.F.
Deposit date:2022-11-08
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Crystal structure of SIAH1 SBD bound to Axin2 peptide
To Be Published
5GMP
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BU of 5gmp by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with XTF-262
Descriptor: Epidermal growth factor receptor, N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-07-14
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:A structure-guided optimization of pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of EGFR(L858R/T790M) mutant with improved pharmacokinetic properties.
Eur J Med Chem, 126, 2017
5Y4R
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BU of 5y4r by Molmil
Structure of a methyltransferase complex
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Chemotaxis protein methyltransferase 1, Cyclic diguanosine monophosphate-binding protein PA4608, ...
Authors:Yan, X, Xin, L, Tan, Y.J, Jin, S, Liang, Z.X, Gao, Y.G.
Deposit date:2017-08-04
Release date:2017-11-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Structural analyses unravel the molecular mechanism of cyclic di-GMP regulation of bacterial chemotaxis via a PilZ adaptor protein.
J. Biol. Chem., 293, 2018
4QND
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BU of 4qnd by Molmil
Crystal structure of a SemiSWEET
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Chemical transport protein, ...
Authors:Yan, X, Yuyong, T, Liang, F, Perry, K.
Deposit date:2014-06-17
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Structures of bacterial homologues of SWEET transporters in two distinct conformations.
Nature, 515, 2014
5GRN
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BU of 5grn by Molmil
Crystal structure of PDGFRA in Complex with WQ-C-159
Descriptor: CHLORIDE ION, N-[2-(dimethylamino)ethyl]-N-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]pyridine-3-carboxamide, Platelet-derived growth factor receptor alpha
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-08-11
Release date:2017-08-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal Structure of PDGFRA in Complex with WQ-C-159
To Be Published
8H75
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BU of 8h75 by Molmil
FGFR2 in complex with YJ001
Descriptor: CHLORIDE ION, Fibroblast growth factor receptor 2, Tinengotinib
Authors:Yan, X.E, Yun, C.H.
Deposit date:2022-10-19
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:FGFR2 in complex with YJ001
To Be Published
5GTZ
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BU of 5gtz by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with JTS-1-39
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ...
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-08-24
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Crystal structure of EGFR 696-1022 T790M in complex with JTS-1-39
To Be Published
5Y4S
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BU of 5y4s by Molmil
Structure of a methyltransferase complex
Descriptor: Chemotaxis protein methyltransferase 1
Authors:Yan, X, Xin, L, Tan, Y.J, Jin, S, Liang, Z.X, Gao, Y.G.
Deposit date:2017-08-04
Release date:2017-11-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.405 Å)
Cite:Structural analyses unravel the molecular mechanism of cyclic di-GMP regulation of bacterial chemotaxis via a PilZ adaptor protein.
J. Biol. Chem., 293, 2018
4QNC
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BU of 4qnc by Molmil
Crystal structure of a SemiSWEET in an occluded state
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PENTADECANE, chemical transport protein
Authors:Yan, X, Yuyong, T, Liang, F, Perry, K.
Deposit date:2014-06-17
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.388 Å)
Cite:Structures of bacterial homologues of SWEET transporters in two distinct conformations.
Nature, 515, 2014
7YFJ
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BU of 7yfj by Molmil
Crystal structure of human WTAP
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Pre-mRNA-splicing regulator WTAP
Authors:Yan, X.H, Guan, Z.Y, Tang, C, Yin, P.
Deposit date:2022-07-08
Release date:2023-01-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:AI-empowered integrative structural characterization of m 6 A methyltransferase complex.
Cell Res., 32, 2022
7YG4
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BU of 7yg4 by Molmil
Structure of WTAP-VIRMA in the m6A writer complex
Descriptor: Pre-mRNA-splicing regulator WTAP, Protein virilizer homolog
Authors:Yan, X.H, Guan, Z.Y, Tang, C, Yin, P.
Deposit date:2022-07-11
Release date:2022-11-23
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:AI-empowered integrative structural characterization of m 6 A methyltransferase complex.
Cell Res., 32, 2022
5YU9
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BU of 5yu9 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
Descriptor: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor
Authors:Yan, X.E, Yun, C.H.
Deposit date:2017-11-21
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
7EP0
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BU of 7ep0 by Molmil
Crystal structure of ZYG11B bound to GSTE degron
Descriptor: Protein zyg-11 homolog B, sodium 3,3'-(1E,1'E)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)
Authors:Yan, X, Li, Y.
Deposit date:2021-04-26
Release date:2021-07-14
Last modified:2021-09-01
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021

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PDB entries from 2024-07-17

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