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9AYA
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BU of 9aya by Molmil
Crystal structure of CRAF/MEK complex with NST-628 and active RAF dimer
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide, ...
Authors:Quade, B, Huang, X.
Deposit date:2024-03-07
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
9AY7
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BU of 9ay7 by Molmil
Crystal structure of CRAF/MEK1 complex with NST-628 and inactive RAF
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Quade, B, Huang, X.
Deposit date:2024-03-07
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
9AXY
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BU of 9axy by Molmil
Crystal structure of BRAF/MEK complex with NST-628 and inactive RAF
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide, ...
Authors:Quade, B, Huang, X.
Deposit date:2024-03-06
Release date:2024-04-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
9AXX
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BU of 9axx by Molmil
Crystal structure of BRAF/MEK1 complex with NST-628 and an active RAF dimer
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Quade, B, Huang, X.
Deposit date:2024-03-06
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
9AXM
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BU of 9axm by Molmil
Crystal structure of ARAF/MEK1 complex with NST-628 and a RAF dimer
Descriptor: 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, ...
Authors:Quade, B, Huang, X.
Deposit date:2024-03-06
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
9AXH
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BU of 9axh by Molmil
Crystal structure of KSR1/MEK1 complex heterotetramer with NST-628
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Quade, B, Huang, X.
Deposit date:2024-03-06
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
9AXC
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BU of 9axc by Molmil
Activated CRAF/MEK heterotetramer from focused refinement of CRAF/MEK/14-3-3 complex
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide
Authors:Quade, B, Cohen, S.E, Huang, X.
Deposit date:2024-03-06
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
9AXA
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BU of 9axa by Molmil
CryoEM structure of activated CRAF/MEK/14-3-3 complex with NST-628
Descriptor: 14-3-3 protein sigma, Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, ...
Authors:Quade, B, Cohen, S.E, Huang, X.
Deposit date:2024-03-06
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
8Y1R
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BU of 8y1r by Molmil
in situ room temperature Laue crystallography
Descriptor: Lysozyme C
Authors:Wang, Z.J, Wang, S.S, Pan, Q.Y, Yu, L, Su, Z.H, Yang, T.Y, Wang, Y.Z, Zhang, W.Z, Hao, Q, Gao, X.Y.
Deposit date:2024-01-25
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:BL03HB: Laue crystallography beamline at SSRF
To Be Published
8XMO
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BU of 8xmo by Molmil
Voltage-gated sodium channel Nav1.7 variant M4
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Wu, Q, Huang, G.
Deposit date:2023-12-27
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024
8XMN
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BU of 8xmn by Molmil
Voltage-gated sodium channel Nav1.7 variant M2
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Wu, Q, Huang, G.
Deposit date:2023-12-27
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024
8XMM
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BU of 8xmm by Molmil
Voltage-gated sodium channel Nav1.7 variant M9
Descriptor: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Yan, N, Li, Z, Wu, Q, Huang, G.
Deposit date:2023-12-27
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024
8XGW
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BU of 8xgw by Molmil
Solution structure of d(CGATCG)2-Baicalein complex
Descriptor: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, DNA (5'-D(*CP*AP*CP*GP*TP*G)-3')
Authors:Nair, M.S, Kumar, S.
Deposit date:2023-12-15
Release date:2024-02-07
Method:SOLUTION NMR
Cite:Solution structure of d(CACGTG)2-Baicalein complex
To Be Published
8XFY
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BU of 8xfy by Molmil
The Crystal Structure of RSK2 from Biortus.
Descriptor: 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol, Ribosomal protein S6 kinase alpha-3
Authors:Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W.
Deposit date:2023-12-14
Release date:2024-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Crystal Structure of RSK2 from Biortus.
To Be Published
8XEQ
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BU of 8xeq by Molmil
Solution NMR structure of DNA sequence d(CGATCG)2
Descriptor: DNA (5'-D(*CP*AP*CP*GP*TP*GP*)-3')
Authors:Nair, M.S, Kumar, S.
Deposit date:2023-12-12
Release date:2024-01-10
Method:SOLUTION NMR
Cite:Solution NMR structure of DNA sequence d(CGATCG)2
To Be Published
8X7X
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BU of 8x7x by Molmil
Crystal structure of SADS-CoV fusion core
Descriptor: CHLORIDE ION, HR1, HR2
Authors:Yan, L.
Deposit date:2023-11-26
Release date:2024-02-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal Structures of Fusion Cores from CCoV-HuPn-2018 and SADS-CoV.
Viruses, 16, 2024
8X5L
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BU of 8x5l by Molmil
The Crystal Structure of PRKACA from Biortus.
Descriptor: (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W.
Deposit date:2023-11-17
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Crystal Structure of PRKACA from Biortus.
To Be Published
8X2U
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BU of 8x2u by Molmil
Radial spoke head-neck dimer
Descriptor: DPY30 domain containing 2, DnaJ homolog subfamily B member 13, Nucleoside diphosphate kinase homolog 5, ...
Authors:Meng, X, Cong, Y.
Deposit date:2023-11-10
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Multi-scale structures of the mammalian radial spoke and divergence of axonemal complexes in ependymal cilia.
Nat Commun, 15, 2024
8X2T
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BU of 8x2t by Molmil
The Crystal Structure of FES from Biortus.
Descriptor: Tyrosine-protein kinase Fes/Fps
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
Deposit date:2023-11-10
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Crystal Structure of FES from Biortus.
To Be Published
8X2A
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BU of 8x2a by Molmil
The Crystal Structure of BMX from Biortus.
Descriptor: 1,2-ETHANEDIOL, 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, CHLORIDE ION, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
Deposit date:2023-11-09
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Crystal Structure of BMX from Biortus.
To Be Published
8X23
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BU of 8x23 by Molmil
The Crystal Structure of MAPK13 from Biortus.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 13
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
Deposit date:2023-11-09
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Crystal Structure of MAPK13 from Biortus.
To Be Published
8WZB
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BU of 8wzb by Molmil
RS head-neck monomer
Descriptor: DPY30 domain containing 2, DnaJ homolog subfamily B member 13, Nucleoside diphosphate kinase homolog 5, ...
Authors:Meng, X, Cong, Y.
Deposit date:2023-11-01
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Multi-scale structures of the mammalian radial spoke and divergence of axonemal complexes in ependymal cilia.
Nat Commun, 15, 2024
8WSW
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BU of 8wsw by Molmil
The Crystal Structure of LIMK2a from Biortus
Descriptor: 1,2-ETHANEDIOL, LIM domain kinase 2, ~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
Deposit date:2023-10-17
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Crystal Structure of LIMK2a from Biortus.
To Be Published
8WGW
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BU of 8wgw by Molmil
Local refinement of RBD-ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Wei, X, Zhang, Z.
Deposit date:2023-09-22
Release date:2024-02-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 2024
8WGV
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BU of 8wgv by Molmil
BA.2(S375) Spike (S6P)/hACE2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Wei, X, Zhang, Z.
Deposit date:2023-09-22
Release date:2024-02-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 2024

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PDB entries from 2024-04-17

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