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9AXH
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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
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The Pan-RAF-MEK Nondegrading 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, 14, 2024
9AXF
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Structure of human calcium-sensing receptor in complex with chimeric Gq (miniGisq) protein in detergent
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine, ...
Authors:Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R.
Deposit date:2024-03-06
Release date:2024-04-17
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Promiscuous G-protein activation by the calcium-sensing receptor.
Nature, 629, 2024
9AXY
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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
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The Pan-RAF-MEK Nondegrading 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, 14, 2024
9AXM
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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
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:The Pan-RAF-MEK Nondegrading 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, 14, 2024
9AXC
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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
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:The Pan-RAF-MEK Nondegrading 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, 14, 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
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The Pan-RAF-MEK Nondegrading 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, 14, 2024
9AXA
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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
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:The Pan-RAF-MEK Nondegrading 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, 14, 2024
8S8C
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Structure of Kras in complex with inhibitor MK-1084
Descriptor: (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Day, P.J, Cleasby, A.
Deposit date:2024-03-06
Release date:2024-07-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor.
J.Med.Chem., 67, 2024
8S8H
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BU of 8s8h by Molmil
Structure of a yeast 48S-AUC preinitiation complex in closed conformation (model py48S-AUC-2.2)
Descriptor: 18S ribosomal RNA, 40S ribosomal protein L41-A, 40S ribosomal protein S12, ...
Authors:Villamayor-Belinchon, L, Sharma, P, Llacer, J.L, Hussain, T.
Deposit date:2024-03-06
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of AUC codon discrimination during translation initiation in yeast.
Nucleic Acids Res., 2024
8S8D
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BU of 8s8d by Molmil
Structure of a yeast 48S-AUC preinitiation complex in closed conformation (model py48S-AUC-2)
Descriptor: 18S ribosomal RNA, 40S ribosomal protein L41-A, 40S ribosomal protein S12, ...
Authors:Villamayor-Belinchon, L, Sharma, P, Llacer, J.L, Hussain, T.
Deposit date:2024-03-06
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structural basis of AUC codon discrimination during translation initiation in yeast.
Nucleic Acids Res., 2024
8S8G
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BU of 8s8g by Molmil
Structure of a yeast 48S-AUC preinitiation complex in closed conformation (model py48S-AUC-2.1)
Descriptor: 18S ribosomal RNA, 40S ribosomal protein L41-A, 40S ribosomal protein S12, ...
Authors:Villamayor-Belinchon, L, Sharma, P, Llacer, J.L, Hussain, T.
Deposit date:2024-03-06
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of AUC codon discrimination during translation initiation in yeast.
Nucleic Acids Res., 2024
8S8E
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BU of 8s8e by Molmil
Structure of a yeast 48S-AUC preinitiation complex in closed conformation (model py48S-AUC-3.1)
Descriptor: 18S ribosomal RNA, 40S ribosomal protein L41-A, 40S ribosomal protein S12, ...
Authors:Villamayor-Belinchon, L, Sharma, P, Llacer, J.L, Hussain, T.
Deposit date:2024-03-06
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Structural basis of AUC codon discrimination during translation initiation in yeast.
Nucleic Acids Res., 2024
8S8F
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BU of 8s8f by Molmil
Structure of a yeast 48S-AUC preinitiation complex in closed conformation (model py48S-AUC-3.2)
Descriptor: 18S ribosomal RNA, 40S ribosomal protein L41-A, 40S ribosomal protein S12, ...
Authors:Villamayor-Belinchon, L, Sharma, P, Llacer, J.L, Hussain, T.
Deposit date:2024-03-06
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Structural basis of AUC codon discrimination during translation initiation in yeast.
Nucleic Acids Res., 2024
8S8J
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BU of 8s8j by Molmil
Structure of a yeast 48S-AUC preinitiation complex in closed conformation (model py48S-AUC-eIF5)
Descriptor: 18S ribosomal RNA, 40S ribosomal protein L41-A, 40S ribosomal protein S12, ...
Authors:Villamayor-Belinchon, L, Sharma, P, Llacer, J.L, Hussain, T.
Deposit date:2024-03-06
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis of AUC codon discrimination during translation initiation in yeast.
Nucleic Acids Res., 2024
8S8I
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BU of 8s8i by Molmil
Structure of a yeast 48S-AUC preinitiation complex in closed conformation (model py48S-AUC-eIF1)
Descriptor: 18S ribosomal RNA, 40S ribosomal protein L41-A, 40S ribosomal protein S12, ...
Authors:Villamayor-Belinchon, L, Sharma, P, Llacer, J.L, Hussain, T.
Deposit date:2024-03-06
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis of AUC codon discrimination during translation initiation in yeast.
Nucleic Acids Res., 2024
8YKV
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BU of 8ykv by Molmil
Cryo-EM structure of succinate receptor SUCR1 bound to compound 31
Descriptor: (2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid, Antibody fragment ScFv16, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Li, C, Liu, H, Li, J, Zhu, H, Fu, W, Xu, H.E.
Deposit date:2024-03-05
Release date:2024-05-29
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Molecular basis of ligand recognition and activation of the human succinate receptor SUCR1.
Cell Res., 34, 2024
8YKX
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Cryo-EM structure of succinate receptor SUCR1 bound to maleic acid
Descriptor: Antibody fragment ScFv16, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Li, C, Liu, H, Li, J, Zhu, H, Fu, W, Xu, H.E.
Deposit date:2024-03-05
Release date:2024-05-29
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Molecular basis of ligand recognition and activation of the human succinate receptor SUCR1.
Cell Res., 34, 2024
9AX6
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Tricomplex of RMC-6236, KRAS G12D, and CypA
Descriptor: (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ...
Authors:Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
Deposit date:2024-03-05
Release date:2024-04-17
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024
8YKW
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BU of 8ykw by Molmil
Cryo-EM structure of succinate receptor SUCR1 bound to succinic acid
Descriptor: Antibody fragment ScFv16, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Li, C, Liu, H, Li, J, Zhu, H, Fu, W, Xu, H.E.
Deposit date:2024-03-05
Release date:2024-05-29
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Molecular basis of ligand recognition and activation of the human succinate receptor SUCR1.
Cell Res., 34, 2024
9AVL
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Structure of human calcium-sensing receptor in complex with Gi3 protein in nanodiscs
Descriptor: (19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R.
Deposit date:2024-03-04
Release date:2024-04-17
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Promiscuous G-protein activation by the calcium-sensing receptor.
Nature, 629, 2024
8YKA
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BU of 8yka by Molmil
Cryo-EM structure of P97-VCPIP1 complex
Descriptor: Deubiquitinating protein VCPIP1, Transitional endoplasmic reticulum ATPase
Authors:Liu, Y, Lu, P, Gao, H, Li, F.
Deposit date:2024-03-04
Release date:2024-10-02
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Molecular Basis of VCPIP1 and P97/VCP Interaction Reveals Its Functions in Post-Mitotic Golgi Reassembly.
Adv Sci, 2024
9AVG
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BU of 9avg by Molmil
Structure of human calcium-sensing receptor in complex with chimeric Gs (miniGis) protein in nanodiscs
Descriptor: (19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R.
Deposit date:2024-03-02
Release date:2024-04-17
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Promiscuous G-protein activation by the calcium-sensing receptor.
Nature, 629, 2024
9AV7
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BU of 9av7 by Molmil
Crystal structure of CMGC family protein kinase from Trichomonas vaginalis (AMP-PNP)
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, non-specific serine/threonine protein kinase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-03-01
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of CMGC family protein kinase from Trichomonas vaginalis (AMP-PNP)
To be published
9AV6
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BU of 9av6 by Molmil
Crystal structure of CMGC family protein kinase from Trichomonas vaginalis (Apo)
Descriptor: SULFATE ION, non-specific serine/threonine protein kinase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-03-01
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of CMGC family protein kinase from Trichomonas vaginalis (Apo)
To be published
8S7J
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BU of 8s7j by Molmil
Coxsackievirus A9 bound with compound 20 (CL300)
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C.
Deposit date:2024-03-01
Release date:2024-10-02
Method:ELECTRON MICROSCOPY (2.26 Å)
Cite:SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 2024

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PDB entries from 2024-10-16

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