7R9T
| Crystal structure of HPK1 in complex with compound 17 | 分子名称: | 6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide, Hematopoietic progenitor kinase | 著者 | Wu, P, Lehoux, I, Wang, W. | 登録日 | 2021-06-29 | 公開日 | 2022-01-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
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7R9N
| Crystal structure of HPK1 in complex with GNE1858 | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hematopoietic progenitor kinase, ... | 著者 | Wu, P, Lehoux, I, Wang, W. | 登録日 | 2021-06-29 | 公開日 | 2022-01-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
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7RP3
| Crystal structure of GNE-1952 alkylated KRAS G12C in complex with 2H11 CLAMP | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, ... | 著者 | Oh, A, Tam, C, Wang, W. | 登録日 | 2021-08-03 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors. Nat.Biotechnol., 40, 2022
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7RP2
| Crystal structure of Kas G12C in complex with 2H11 CLAMP | 分子名称: | 1,2-ETHANEDIOL, CACODYLATE ION, GTPase KRas, ... | 著者 | Oh, A, Tam, C, Wang, W. | 登録日 | 2021-08-03 | 公開日 | 2022-03-16 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors. Nat.Biotechnol., 40, 2022
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7RP4
| Crystal structure of KRAS G12C in complex with GNE-1952 | 分子名称: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Oh, A, Tam, C, Wang, W. | 登録日 | 2021-08-03 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors. Nat.Biotechnol., 40, 2022
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8GOY
| SulE P44R | 分子名称: | 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid, Alpha/beta fold hydrolase, GLYCEROL | 著者 | Liu, B, He, J, Ran, T, Wang, W. | 登録日 | 2022-08-25 | 公開日 | 2023-08-02 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.784 Å) | 主引用文献 | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Nat Commun, 14, 2023
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8GOL
| crystal structure of SulE | 分子名称: | 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid, Alpha/beta fold hydrolase, GLYCEROL | 著者 | Liu, B, Ran, T, Wang, W, He, J. | 登録日 | 2022-08-25 | 公開日 | 2023-08-02 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Nat Commun, 14, 2023
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8GP0
| crystal structure of SulE | 分子名称: | Alpha/beta fold hydrolase, CITRIC ACID, GLYCEROL | 著者 | Liu, B, Ran, T, wang, W, He, J. | 登録日 | 2022-08-25 | 公開日 | 2023-08-02 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Nat Commun, 14, 2023
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4QP2
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4QP8
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8GQR
| Crystal structure of VioD with FAD | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ... | 著者 | Ran, T, Wang, W, Xu, M. | 登録日 | 2022-08-30 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural basis for substrate binding and catalytic mechanism of the key enzyme VioD in the violacein synthesis pathway. Proteins, 91, 2023
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2CO0
| WDR5 and unmodified Histone H3 complex at 2.25 Angstrom | 分子名称: | HISTONE H3 DIMETHYL-LYSINE 4, WD-REPEAT PROTEIN 5 | 著者 | Ruthenburg, A.J, Wang, W, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L. | 登録日 | 2006-05-25 | 公開日 | 2006-07-03 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Histone H3 Recognition and Presentation by the Wdr5 Module of the Mll1 Complex Nat.Struct.Mol.Biol., 13, 2006
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2CNX
| WDR5 and Histone H3 Lysine 4 dimethyl complex at 2.1 angstrom | 分子名称: | HISTONE H3 DIMETHYL-LYSINE 4, WD-REPEAT PROTEIN 5 | 著者 | Ruthenburg, A.J, Wang, W, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L. | 登録日 | 2006-05-25 | 公開日 | 2006-07-03 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Histone H3 Recognition and Presentation by the Wdr5 Module of the Mll1 Complex Nat.Struct.Mol.Biol., 13, 2006
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4QP3
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4QP7
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4QP4
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4QPA
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5K4J
| Crystal Structure of CDK2 in complex with compound 22 | 分子名称: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 | 著者 | Yin, J, Wang, W. | 登録日 | 2016-05-20 | 公開日 | 2016-07-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
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4QP6
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4JR5
| Structure-based Identification of Ureas as Novel Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | 分子名称: | 1,2-ETHANEDIOL, 1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea, Nicotinamide phosphoribosyltransferase, ... | 著者 | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Gunzner-Toste, J, Zhao, G, Yuen, P, Bair, K.W. | 登録日 | 2013-03-21 | 公開日 | 2013-05-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.906 Å) | 主引用文献 | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors. J.Med.Chem., 56, 2013
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4JNM
| Discovery of Potent and Efficacious Urea-containing Nicotinamide Phosphoribosyltransferase (NAMPT) Inhibitors with Reduced CYP2C9 Inhibition Properties | 分子名称: | 1,2-ETHANEDIOL, 1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea, Nicotinamide phosphoribosyltransferase, ... | 著者 | Gunzner-Toste, J, Zhao, G, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Fu, B, Han, B, Ho, Y, Kley, N, Liederer, B, Lin, J, Mukadam, S, O'Brien, T, Reynolds, D.J, Sharma, G, Skelton, N, Smith, C.C, Oh, A, Wang, W, Wang, Z, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X, Bair, K.W, Dragovich, P.S. | 登録日 | 2013-03-15 | 公開日 | 2013-05-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties. Bioorg.Med.Chem.Lett., 23, 2013
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7EW2
| Cryo-EM structure of pFTY720-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein | 分子名称: | (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, 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, ... | 著者 | Zhao, C, Wang, W, Wang, H.L, Shao, Z.H. | 登録日 | 2021-05-24 | 公開日 | 2021-09-29 | 最終更新日 | 2022-02-16 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes. Cell Res., 32, 2022
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7EW4
| Cryo-EM structure of CYM-5541-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein | 分子名称: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | 著者 | Zhao, C, Wang, W, Wang, H.L, Shao, Z.H. | 登録日 | 2021-05-24 | 公開日 | 2021-09-29 | 最終更新日 | 2022-02-16 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes. Cell Res., 32, 2022
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7EW3
| Cryo-EM structure of S1P-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 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, ... | 著者 | Zhao, C, Wang, W, Wang, H.L, Shao, Z.H. | 登録日 | 2021-05-24 | 公開日 | 2021-09-29 | 最終更新日 | 2022-02-16 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes. Cell Res., 32, 2022
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6B16
| P21-activated kinase 1 in complex with a 4-azaindole inhibitor | 分子名称: | N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1 | 著者 | Rouge, L, Wang, W. | 登録日 | 2017-09-16 | 公開日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (2.285 Å) | 主引用文献 | Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors. Bioorg. Med. Chem. Lett., 26, 2016
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