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7YQE
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Structure of human SRC regulatory domains in complex with the C-terminal PRRP motifs of GPR54.
分子名称: Proto-oncogene tyrosine-protein kinase Src,KiSS-1 receptor
著者Song, G, Xu, S.
登録日2022-08-06
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Kisspeptin-10 binding to Gpr54 in osteoclasts prevents bone loss by activating Dusp18-mediated dephosphorylation of Src.
Nat Commun, 15, 2024
7XHQ
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Small-molecule Allosteric Regulation Mechanism of SHP2
分子名称: 2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11
著者Luo, Y, Zhu, J, Yu, K, Liu, B.
登録日2022-04-09
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of the SHP2 allosteric inhibitor 2-((3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-(2,3-dichlorophenyl)-3-methylpyrrolo[2,1-f][1,2,4] triazin-4(3H)-one.
J Enzyme Inhib Med Chem, 38, 2023
7WFY
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Crystal Structure of the VAV2 SH2 domain in complex with APP phosphorylated peptide
分子名称: Amyloid beta A4 protein-binding family B member 1 (protein), Guanine nucleotide exchange factor VAV2
著者Zhang, Y.J, Liu, Y.R, Wu, B.
登録日2021-12-27
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Vav2 is a novel APP-interacting protein that regulates APP protein level.
Sci Rep, 12, 2022
7VXG
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Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TK-453
分子名称: 6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Li, T.H, Guo, H.T, Ji, X.Y.
登録日2021-11-12
公開日2022-03-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献SHP2 allosteric inhibitor TK-453 alleviates psoriasis-like skin inflammation in mice via inhibition of IL-23/Th17 axis.
Iscience, 25, 2022
7UY3
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Crystal structure of human Fgr tyrosine kinase in complex with TL02-59
分子名称: 1,2-ETHANEDIOL, 3-[(6,7-dimethoxyquinazolin-4-yl)oxy]-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methylbenzamide, GLYCEROL, ...
著者Du, S, Alvarado, J.J, Smithgall, T.E.
登録日2022-05-06
公開日2022-12-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献ATP-site inhibitors induce unique conformations of the acute myeloid leukemia-associated Src-family kinase, Fgr.
Structure, 30, 2022
7UY0
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Crystal structure of human Fgr tyrosine kinase in complex with A-419259
分子名称: 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CHLORIDE ION, GLYCEROL, ...
著者Du, S, Alvarado, J.J, Smithgall, T.E.
登録日2022-05-06
公開日2022-12-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献ATP-site inhibitors induce unique conformations of the acute myeloid leukemia-associated Src-family kinase, Fgr.
Structure, 30, 2022
7UC7
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Stat5a Core in complex with Compound 17
分子名称: GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1-benzofuran-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A
著者Meagher, J.L, Stuckey, J.A.
登録日2022-03-16
公開日2023-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia.
J.Med.Chem., 66, 2023
7UC6
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Stat5a Core in complex with Compound 12
分子名称: N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A
著者Meagher, J.L, Stuckey, J.A.
登録日2022-03-16
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia.
J.Med.Chem., 66, 2023
7UBT
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Stat5a Core in complex with Compound 18
分子名称: GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A
著者Meagher, J.L, Stuckey, J.A.
登録日2022-03-15
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia.
J.Med.Chem., 66, 2023
7TZ7
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PI3K alpha in complex with an inhibitor
分子名称: (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one, Isoform 3 of Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Knapp, M.S, Tang, J.
登録日2022-02-15
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
7TVB
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Stat5A Core in Complex with AK305
分子名称: GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, Signal transducer and activator of transcription 5A
著者Meagher, J.L, Stuckey, J.A.
登録日2022-02-04
公開日2023-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.653 Å)
主引用文献A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
7TVA
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BU of 7tva by Molmil
Stat5a Core in complex with AK2292
分子名称: DI(HYDROXYETHYL)ETHER, MALONATE ION, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2022-02-04
公開日2023-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.835 Å)
主引用文献A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
7T8T
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BU of 7t8t by Molmil
CryoEM structure of PLCg1
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma, CALCIUM ION
著者Endo-Streeter, S, Sondek, J.
登録日2021-12-17
公開日2022-12-21
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献CryoEM structure of PLCg1
To Be Published
7T1U
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Crystal structure of a superbinder Src SH2 domain (sSrcF) in complex with a high affinity phosphopeptide
分子名称: Proto-oncogene tyrosine-protein kinase Src, Synthetic phosphopeptide, ZINC ION
著者Martyn, G.D, Singer, A.U, Manczyk, N, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S.
登録日2021-12-02
公開日2022-08-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
7T1L
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Crystal structure of a superbinder Fes SH2 domain (sFesS) in complex with a high affinity phosphopeptide
分子名称: CHLORIDE ION, SODIUM ION, Synthetic phosphotyrosine-containing Ezrin-derived peptide, ...
著者Martyn, G.D, Singer, A.U, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S.
登録日2021-12-02
公開日2022-08-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
7T1K
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BU of 7t1k by Molmil
Crystal structure of a superbinder Fes SH2 domain (sFes1) in complex with a high affinity phosphopeptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MALONATE ION, ...
著者Martyn, G.D, Singer, A.U, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S.
登録日2021-12-02
公開日2022-08-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
7SA7
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BU of 7sa7 by Molmil
Crystal structure of the apo SH2 domains of Syk
分子名称: Tyrosine-protein kinase SYK
著者Hobbs, H.T, Badroos, J, Gee, C.L, Kuriyan, J.
登録日2021-09-22
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Differences in the dynamics of the tandem-SH2 modules of the Syk and ZAP-70 tyrosine kinases.
Protein Sci., 30, 2021
7RNV
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BU of 7rnv by Molmil
SH2 domain of guanine nucleotide exchange factor Vav2 in complex with an actin peptide with phosphorylated tyrosine 53
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2021-07-29
公開日2021-08-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
7RNU
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nSH2 domain of p85-beta subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2021-07-29
公開日2021-08-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
7RNS
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nSH2 domain of p85-alpha subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2021-07-29
公開日2021-08-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
7RCT
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Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor RMC-4550
分子名称: CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 11, {3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol
著者Seegar, T.C.M.
登録日2021-07-08
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Targeted Degradation of the Oncogenic Phosphatase SHP2.
Biochemistry, 60, 2021
7R8X
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Crystal Structure of the LNK SH2 Domain in Complex with an EPOR pY454 Phosphopeptide
分子名称: EPOR pY454 phosphopeptide, SH2B adapter protein 3
著者Morris, R, Kershaw, N.J, Babon, J.J.
登録日2021-06-27
公開日2021-10-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional analysis of target recognition by the lymphocyte adaptor protein LNK.
Nat Commun, 12, 2021
7R8W
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Crystal Structure of the LNK SH2 Domain in Complex with a JAK2 pY813 Phosphopeptide
分子名称: JAK2 pY813 phosphopeptide, SH2B adapter protein 3
著者Morris, R, Kershaw, N.J, Babon, J.J.
登録日2021-06-27
公開日2021-10-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional analysis of target recognition by the lymphocyte adaptor protein LNK.
Nat Commun, 12, 2021
7R7L
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Structure of human SHP2 in complex with compound 30
分子名称: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 11
著者Leonard, P.G, Cross, J.
登録日2021-06-24
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
7R7I
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Structure of human SHP2 in complex with compound 27
分子名称: Tyrosine-protein phosphatase non-receptor type 11, [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
著者Leonard, P.G, Cross, J.
登録日2021-06-24
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021

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件を2024-06-12に公開中

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