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9AY7
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Crystal structure of CRAF/MEK1 complex with NST-628 and inactive RAF
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Quade, B, Huang, X.
登録日2024-03-07
公開日2024-04-17
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献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
9AXY
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Crystal structure of BRAF/MEK complex with NST-628 and inactive RAF
分子名称: 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, ...
著者Quade, B, Huang, X.
登録日2024-03-06
公開日2024-04-17
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献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
分子名称: 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
著者Quade, B, Cohen, S.E, Huang, X.
登録日2024-03-06
公開日2024-04-17
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献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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BU of 9axa by Molmil
CryoEM structure of activated CRAF/MEK/14-3-3 complex with NST-628
分子名称: 14-3-3 protein sigma, Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, ...
著者Quade, B, Cohen, S.E, Huang, X.
登録日2024-03-06
公開日2024-04-17
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.36 Å)
主引用文献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
8ZJV
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Crystal Structure of the ERK2 complexed with 5-Iodotubercidin
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Yang, Y, Fu, L, Chen, R, Cheng, H, Sun, X.
登録日2024-05-15
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the ERK2 complexed with 5-Iodotubercidin
To Be Published
8YGW
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BU of 8ygw by Molmil
The Crystal Structure of MAPK11 from Biortus
分子名称: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 11
著者Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S.
登録日2024-02-27
公開日2024-03-13
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献The Crystal Structure of MAPK11 from Biortus.
To Be Published
8XX1
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The Crystal Structure of MAPKAP kinase 2 domain from Biortus
分子名称: MAP kinase-activated protein kinase 2
著者Wang, F, Cheng, W, Lv, Z, Ju, C, Ni, C.
登録日2024-01-17
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The Crystal Structure of MAPKAP kinase 2 domain from Biortus
To Be Published
8XU4
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The Crystal Structure of MAPK2 from Biortus.
分子名称: MALONIC ACID, MAP kinase-activated protein kinase 2
著者Wang, F, Cheng, W, Yuan, Z, Qi, J, Shen, Z.
登録日2024-01-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The Crystal Structure of MAPK2 from Biortus.
To Be Published
8X23
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BU of 8x23 by Molmil
The Crystal Structure of MAPK13 from Biortus.
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 13
著者Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
登録日2023-11-09
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Crystal Structure of MAPK13 from Biortus.
To Be Published
8WGF
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The Crystal Structure of JNK3 from Biortus.
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 10, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J.
登録日2023-09-21
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Crystal Structure of JNK3 from Biortus.
To Be Published
8VXE
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Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6
分子名称: (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 14
著者Blaesse, M, Steinbacher, S, Shaffer, P.L, Sharma, S, Thompson, A.A.
登録日2024-02-04
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.
Acs Med.Chem.Lett., 15, 2024
8U8K
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Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #8
分子名称: (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
著者Anderson, J.W, Vigers, G.P.
登録日2023-09-18
公開日2024-03-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8U8J
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Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #16
分子名称: (4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
著者Anderson, J.W, Vigers, G.P.
登録日2023-09-18
公開日2024-03-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8U1L
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Cryo-EM structure of the RAF1-HSP90-CDC37 complex in the closed state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 83, Hsp90 co-chaperone Cdc37, ...
著者Finci, L.I, Simanshu, D.K.
登録日2023-09-01
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural dynamics of RAF1-HSP90-CDC37 and HSP90 complexes reveal asymmetric client interactions and key structural elements.
Commun Biol, 7, 2024
8TY6
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Disulfide-stabilized HIV-1 CA hexamer in complex with PQBP1 Nt
分子名称: Capsid protein p24
著者Piacentini, J, Pornillos, O, Ganser-Pornillos, B.K.
登録日2023-08-24
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular Determinants of PQBP1 Binding to the HIV-1 Capsid Lattice.
J.Mol.Biol., 436, 2024
8TQP
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HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor
分子名称: 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide, Gag polyprotein
著者Goldstone, D.C, Barnett, M.J, Taka, J.R.H.
登録日2023-08-08
公開日2023-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.
J.Med.Chem., 66, 2023
8TOV
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BU of 8tov by Molmil
HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor
分子名称: 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide, Matrix protein p17
著者Goldstone, D.C, Barnett, M.J, Taka, J.R.H.
登録日2023-08-04
公開日2023-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.
J.Med.Chem., 66, 2023
8TI2
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Cryo-EM structure of a SUR1/Kir6.2-Q52R ATP-sensitive potassium channel in the presence of PIP2 in the open conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ATP-sensitive inward rectifier potassium channel 11, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, ...
著者Driggers, C.M, Shyng, S.-L.
登録日2023-07-18
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structure of an open K ATP channel reveals tandem PIP 2 binding sites mediating the Kir6.2 and SUR1 regulatory interface.
Nat Commun, 15, 2024
8TI1
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Cryo-EM structure of a SUR1/Kir6.2-Q52R ATP-sensitive potassium channel in the presence of PIP2 in the open conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ATP-sensitive inward rectifier potassium channel 11, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, ...
著者Driggers, C.M, Shyng, S.-L.
登録日2023-07-18
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of an open K ATP channel reveals tandem PIP 2 binding sites mediating the Kir6.2 and SUR1 regulatory interface.
Nat Commun, 15, 2024
8T9D
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CryoEM structure of TR-TRAP
分子名称: Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ...
著者Zhao, H, Asturias, F.
登録日2023-06-23
公開日2024-07-03
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (4.66 Å)
主引用文献An IDR-dependent mechanism for nuclear receptor control of Mediator interaction with RNA polymerase II.
Mol.Cell, 84, 2024
8T1L
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Atomic model of the mammalian mouse Mediator complex with CKM module
分子名称: Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ...
著者Zhao, H, Asturias, F.
登録日2023-06-02
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (4.83 Å)
主引用文献A Pliable Mediator Acts as a Functional Rather Than an Architectural Bridge between Promoters and Enhancers.
To Be Published
8T1I
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Atomic model of the mammalian Mediator complex with MED26 subunit
分子名称: Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ...
著者Zhao, H, Asturias, F.
登録日2023-06-02
公開日2024-06-12
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (4.68 Å)
主引用文献An IDR-dependent mechanism for nuclear receptor control of Mediator interaction with RNA polymerase II.
Mol.Cell, 84, 2024
8SNM
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Structure of mature human ADAM17/iRhom2 sheddase complex in complex with ADAM17 prodomain
分子名称: CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Disintegrin and metalloproteinase domain-containing protein 17 propeptide, ...
著者Zhao, H, Dai, Y, Wang, Y, Lee, C.H.
登録日2023-04-27
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Structure of mature human ADAM17/iRhom2 sheddase complex in complex with ADAM17 prodomain
To Be Published
8SNL
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Structure of human ADAM17/iRhom2 sheddase complex
分子名称: CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Inactive rhomboid protein 2, ...
著者Zhao, H, Dai, Y, Wang, Y, Lee, C.H.
登録日2023-04-27
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Structure of human ADAM17/iRhom2 sheddase complex
To Be Published
8RCN
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CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, Focused region of mTOR and RAPTOR on one protomer copy.
分子名称: Eukaryotic translation initiation factor 4E-binding protein 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Anandapadamanaban, M, Hay, I.M, Perisic, O, Williams, R.L.
登録日2023-12-06
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, Focused region of mTOR and RAPTOR on one protomer copy.
To Be Published

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件を2024-10-09に公開中

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