8S01
 
 | | A fragment-based inhibitor of SHP2 | | 分子名称: | 3-(4-chlorophenyl)-1H-pyrazole, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Cleasby, A, Price, A. | | 登録日 | 2024-02-13 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
|
|
8S0O
 | | A fragment-based inhibitor of SHP2 | | 分子名称: | 3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Cleasby, A, Price, A. | | 登録日 | 2024-02-14 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.834 Å) | | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
|
|
8S07
 | | A fragment-based inhibitor of SHP2 | | 分子名称: | 7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | 著者 | Cleasby, A, Price, A. | | 登録日 | 2024-02-13 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
|
|
8S0I
 | | A fragment-based inhibitor of SHP2 | | 分子名称: | 3-phenyl-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Cleasby, A, Price, A. | | 登録日 | 2024-02-14 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.929 Å) | | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
|
|
8S0Q
 | | A fragment-based inhibitor of SHP2 | | 分子名称: | (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Cleasby, A, Price, A. | | 登録日 | 2024-02-14 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.872 Å) | | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
|
|
8RZY
 | | A fragment-based inhibitor of SHP2 | | 分子名称: | 1H-pyrrolo[3,2-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Cleasby, A, Price, A. | | 登録日 | 2024-02-13 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
|
|
8S0H
 | | A fragment-based inhibitor of SHP2 | | 分子名称: | 5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Cleasby, A, Price, A. | | 登録日 | 2024-02-14 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
|
|
8S0J
 | | A fragment-based inhibitor of SHP2 | | 分子名称: | 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Cleasby, A, Price, A. | | 登録日 | 2024-02-14 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
|
|
4XY2
 | | Crystal structure of PDE10A in complex with ASP9436 | | 分子名称: | 1-methyl-5-(1-methyl-3-{[4-(1-methyl-1H-benzimidazol-4-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Amano, Y, Honbou, K. | | 登録日 | 2015-02-02 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Addressing phototoxicity observed in a novel series of biaryl derivatives: Discovery of potent, selective and orally active phosphodiesterase 10A inhibitor ASP9436
Bioorg.Med.Chem., 23, 2015
|
|
3FX5
 | | Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by High Resolution X-ray Crystallography | | 分子名称: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, protease | | 著者 | Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R. | | 登録日 | 2009-01-20 | | 公開日 | 2009-03-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (0.93 Å) | | 主引用文献 | Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography.
Proc.Natl.Acad.Sci.USA, 2009
|
|
1QRS
 | |
1QRT
 | |
1QRU
 | |
2LEV
 | | Structure of the DNA complex of the C-Terminal domain of Ler | | 分子名称: | DNA (5'-D(*CP*CP*TP*AP*TP*CP*AP*AP*TP*TP*AP*TP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*AP*TP*AP*AP*TP*TP*GP*AP*TP*AP*GP*G)-3'), Ler | | 著者 | Cordeiro, T.N, Schimdt, H, Madrid, C, Juarez, A, Bernado, P, Grisienger, C, Garcia, J, Pons, M. | | 登録日 | 2011-06-23 | | 公開日 | 2011-12-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR, SOLUTION SCATTERING | | 主引用文献 | Indirect DNA Readout by an H-NS Related Protein: Structure of the DNA Complex of the C-Terminal Domain of Ler.
Plos Pathog., 7, 2011
|
|
5B0D
 | | Polyketide cyclase OAC from Cannabis sativa, Y27W mutant | | 分子名称: | Olivetolic acid cyclase | | 著者 | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | | 登録日 | 2015-10-28 | | 公開日 | 2016-01-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa
Febs J., 283, 2016
|
|
5B09
 | | Polyketide cyclase OAC from Cannabis sativa bound with Olivetolic acid | | 分子名称: | 2,4-bis(oxidanyl)-6-pentyl-benzoic acid, Olivetolic acid cyclase | | 著者 | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | | 登録日 | 2015-10-28 | | 公開日 | 2016-01-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa
Febs J., 283, 2016
|
|
5B0G
 | | Polyketide cyclase OAC from Cannabis sativa, H78S mutant | | 分子名称: | Olivetolic acid cyclase | | 著者 | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | | 登録日 | 2015-10-28 | | 公開日 | 2016-01-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa
Febs J., 283, 2016
|
|
1IQH
 | | Human coagulation factor Xa in complex with M55143 | | 分子名称: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa | | 著者 | Shiromizu, I, Matsusue, T. | | 登録日 | 2001-07-23 | | 公開日 | 2003-09-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
|
|
5B0B
 | | Polyketide cyclase OAC from Cannabis sativa, I7F mutant | | 分子名称: | ACETATE ION, Olivetolic acid cyclase | | 著者 | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | | 登録日 | 2015-10-28 | | 公開日 | 2016-01-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.187 Å) | | 主引用文献 | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa
Febs J., 283, 2016
|
|
1IOE
 | | Human coagulation factor Xa in complex with M55532 | | 分子名称: | (-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO-8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)-SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE-2(3H),4'-PIPERIDIN]-5-ONE, CALCIUM ION, COAGULATION FACTOR XA | | 著者 | Shiromizu, I, Matsusue, T. | | 登録日 | 2001-03-08 | | 公開日 | 2003-09-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Factor Xa Specific Inhibitor That Induces the Novel Binding Model In Complex With Human FXa
To be Published
|
|
1FQG
 | |
5B08
 | | Polyketide cyclase OAC from Cannabis sativa | | 分子名称: | Olivetolic acid cyclase | | 著者 | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | | 登録日 | 2015-10-28 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.325 Å) | | 主引用文献 | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa
Febs J., 283, 2016
|
|
5B0A
 | | Polyketide cyclase OAC from Cannabis sativa, H5Q mutant | | 分子名称: | Olivetolic acid cyclase | | 著者 | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | | 登録日 | 2015-10-28 | | 公開日 | 2016-01-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa
Febs J., 283, 2016
|
|
5B0E
 | | Polyketide cyclase OAC from Cannabis sativa, V59M mutant | | 分子名称: | GLYCEROL, Olivetolic acid cyclase | | 著者 | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | | 登録日 | 2015-10-28 | | 公開日 | 2016-01-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.603 Å) | | 主引用文献 | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa
Febs J., 283, 2016
|
|
8PE9
 | | Complex between DDR1 DS-like domain and PRTH-101 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Liu, J, Chiang, H, Xiong, W, Laurent, V, Griffiths, S.C, Duelfer, J, Deng, H, Sun, X, Yin, Y.W, Li, W, Audoly, L.P, An, Z, Schuerpf, T, Li, R, Zhang, N. | | 登録日 | 2023-06-13 | | 公開日 | 2023-06-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.152 Å) | | 主引用文献 | A highly selective humanized DDR1 mAb reverses immune exclusion by disrupting collagen fiber alignment in breast cancer.
J Immunother Cancer, 11, 2023
|
|
