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8XLO
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BU of 8xlo by Molmil
FGFR1 kinase domain with a dual-warhead covalent inhibitor CXF-007
Descriptor: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8GVJ
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BU of 8gvj by Molmil
Crystal structure of cMET kinase domain bound by D6808
Descriptor: (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione, Hepatocyte growth factor receptor
Authors:Chen, Y.H, Qu, L.Z.
Deposit date:2022-09-15
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
8HLM
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BU of 8hlm by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 2)
Descriptor: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
Authors:Guo, M, Wang, H, Wei, H, Chen, Y.
Deposit date:2022-11-30
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.522 Å)
Cite:Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLL
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BU of 8hll by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 1)
Descriptor: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
Authors:Wei, H, Guo, M, Wang, H, Chen, Y.
Deposit date:2022-11-30
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLN
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BU of 8hln by Molmil
Crystal structure of p53/BCL2 fusion complex(complex3)
Descriptor: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
Authors:Guo, M, Wei, H, Wang, H, Chen, Y.
Deposit date:2022-11-30
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.354 Å)
Cite:Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
7D42
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BU of 7d42 by Molmil
Structural basis of tropifexor as a potent and selective agonist for farnesoid X receptor
Descriptor: Bile acid receptor, Peptide from Nuclear receptor coactivator 2, Tropifexor
Authors:Jiang, L, Chen, Y.
Deposit date:2020-09-22
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Structural basis of tropifexor as a potent and selective agonist of farnesoid X receptor.
Biochem.Biophys.Res.Commun., 534, 2021
7DGD
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BU of 7dgd by Molmil
apo state of class C GPCR
Descriptor: Metabotropic glutamate receptor 1
Authors:Zhang, J.Y, Wu, L.J, Luo, F, Hua, T, Liu, Z.J.
Deposit date:2020-11-11
Release date:2021-09-22
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Structural insights into the activation initiation of full-length mGlu1.
Protein Cell, 12, 2021
7DGE
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BU of 7dge by Molmil
intermediate state of class C GPCR
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Metabotropic glutamate receptor 1, nanobody
Authors:Zhang, J.Y, Wu, L.J, Luo, F, Hua, T, Liu, Z.J.
Deposit date:2020-11-11
Release date:2021-09-22
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Structural insights into the activation initiation of full-length mGlu1.
Protein Cell, 12, 2021
7Y4U
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BU of 7y4u by Molmil
Crystal structure of cMET kinase domain bound by compound 9Y
Descriptor: Hepatocyte growth factor receptor, ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2022-06-16
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
7Y4T
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BU of 7y4t by Molmil
Crystal structure of cMET kinase domain bound by compound 9I
Descriptor: 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one, Hepatocyte growth factor receptor
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2022-06-16
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
7VUE
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BU of 7vue by Molmil
Structural insight of the molecular mechanism of cilofexor bound to FXR
Descriptor: 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
Authors:Jiang, L, Chen, Y.C.
Deposit date:2021-11-02
Release date:2022-03-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structural insight into the molecular mechanism of cilofexor binding to the farnesoid X receptor.
Biochem.Biophys.Res.Commun., 595, 2022
7WNQ
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BU of 7wnq by Molmil
Cryo-EM structure of AtSLAC1 S59A mutant
Descriptor: Guard cell S-type anion channel SLAC1
Authors:Sun, L, Liu, X, Li, Y.
Deposit date:2022-01-19
Release date:2022-04-13
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure of the Arabidopsis guard cell anion channel SLAC1 suggests activation mechanism by phosphorylation.
Nat Commun, 13, 2022
7WF5
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BU of 7wf5 by Molmil
c-Src in complex with ponatinib
Descriptor: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase Src
Authors:Guo, M, Duan, Y, Dai, S, Chen, X, Chen, Y.
Deposit date:2021-12-26
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Structural study of ponatinib in inhibiting SRC kinase.
Biochem.Biophys.Res.Commun., 598, 2022
7VNI
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BU of 7vni by Molmil
AHR-ARNT PAS-B heterodimer
Descriptor: Ahr homolog spineless, Aryl hydrocarbon receptor nuclear translocator, SULFATE ION
Authors:Dai, S.Y.
Deposit date:2021-10-11
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
7VNH
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BU of 7vnh by Molmil
drosophlia AHR PAS-B domain bound by the antagonist alpha-naphthoflavone
Descriptor: 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Ahr homolog spineless
Authors:Dai, S.Y.
Deposit date:2021-10-11
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
7VNA
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BU of 7vna by Molmil
drosophlia AHR PAS-B domain
Descriptor: Ahr homolog spineless
Authors:Dai, S.Y.
Deposit date:2021-10-10
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
8JOT
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BU of 8jot by Molmil
Crystal structure of CSF-1R kinase domain with sulfatinib
Descriptor: GLYCEROL, Macrophage colony-stimulating factor 1 receptor, N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide
Authors:Lin, Q.M, Chen, X.J, Chen, Y.H.
Deposit date:2023-06-08
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R.
Commun Chem, 7, 2024
8JMZ
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BU of 8jmz by Molmil
FGFR1 kinase domain with sulfatinib
Descriptor: Fibroblast growth factor receptor 1, GLYCEROL, N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide, ...
Authors:Chen, X.J, Lin, Q.M, Chen, Y.H.
Deposit date:2023-06-05
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.988 Å)
Cite:Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R.
Commun Chem, 7, 2024
8IFO
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BU of 8ifo by Molmil
Crystal structure of estrogen related receptor-gamma DNA binding domain complexed with Pla2g12b promoter
Descriptor: DNA (5'-D(*GP*AP*GP*GP*AP*CP*AP*AP*AP*GP*GP*TP*GP*AP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*TP*CP*AP*CP*CP*TP*TP*TP*GP*TP*CP*CP*TP*C)-3'), Estrogen-related receptor gamma, ...
Authors:Xu, T, Zhen, X, Liu, J.
Deposit date:2023-02-19
Release date:2023-03-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:ERR gamma-DBD undergoes dimerization and conformational rearrangement upon binding to the downstream site of the DR1 element.
Biochem.Biophys.Res.Commun., 656, 2023
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PDB entries from 2024-11-06

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