1QXK
| Monoacid-Based, Cell Permeable, Selective Inhibitors of Protein Tyrosine Phosphatase 1B | 分子名称: | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER, Protein-tyrosine phosphatase, non-receptor type 1 | 著者 | Xin, Z, Liu, G, Abad-Zapatero, C, Pei, Z, Szczepankiewick, B.G, Li, X, Zhang, T, Hutchins, C.W, Hajduk, P.J, Ballaron, S.J, Stashko, M.A, Lubben, T.H, Trevillyan, J.M, Jirousek, M.R. | 登録日 | 2003-09-08 | 公開日 | 2003-10-28 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification of a Monoacid-Based, Cell Permeable, Selective
Inhibitor of Protein Tyrosine Phosphatase 1B BIOORG.MED.CHEM.LETT., 13, 2003
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1NZ7
| POTENT, SELECTIVE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B USING A SECOND PHOSPHOTYROSINE BINDING SITE, complexed with compound 19. | 分子名称: | 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-3-METHYLSULFANYL-PROPYLCARBAMOYL)-BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-PHENYL)-OXALYL-AM INO]-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | 著者 | Xin, Z, Oost, T.K, Abad-Zapatero, C, Hajduk, P.J, Pei, Z, Szczepankiewicz, B.G, Hutchins, C.W, Ballaron, S.J, Stashko, M.A, Lubben, T, Trevillyan, J.M, Jirousek, M.R, Liu, G. | 登録日 | 2003-02-16 | 公開日 | 2003-05-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Potent, Selective Inhibitors of Protein Tyrosine Phosphatase 1B BIOORG.MED.CHEM.LETT., 13, 2003
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7SFR
| Unmethylated Mtb Ribosome 50S with SEQ-9 | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | 著者 | Xing, Z, Cui, Z, Zhang, J, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2021-10-04 | 公開日 | 2022-10-12 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents. Cell, 186, 2023
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1Q1M
| A Highly Efficient Approach to a Selective and Cell Active PTP1B inhibitors | 分子名称: | 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | 著者 | Liu, G, Xin, Z, Pei, Z, Hajduk, P.J, Abad-Zapatero, C, Hutchins, C.W, Zhao, H, Lubben, T.H, Ballaron, S.J, Haasch, D.L, Kaszubska, W, Rondinone, C.M, Trevillyan, J.M, Jirousek, M.R. | 登録日 | 2003-07-22 | 公開日 | 2003-09-16 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor. J.Med.Chem., 46, 2003
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1ONZ
| Oxalyl-aryl-Amino Benzoic acid Inhibitors of PTP1B, compound 8b | 分子名称: | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | 著者 | Liu, G, Szczepankiewicz, B.G, Pei, Z, Janowich, D.A, Xin, Z, Hadjuk, P.J, Abad-Zapatero, C, Liang, H, Hutchins, C.W, Fesik, S.W, Ballaron, S.J, Stashko, M.A, Lubben, T, Mika, A.K, Zinker, B.A, Trevillyan, J.M, Jirousek, M.R. | 登録日 | 2003-03-02 | 公開日 | 2003-05-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery and Structure-Activity Relationship of Oxalylarylaminobenzoic
Acids as Inhibitors of Protein Tyrosine Phosphatase 1B J.Med.Chem., 46, 2003
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1XBO
| PTP1B complexed with Isoxazole Carboxylic Acid | 分子名称: | 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | 著者 | Zhao, H, Liu, G, Xin, Z, Serby, M, Pei, Z, Szczepankiewicz, B.G, Hajduk, P.J, Abad-Zapatero, C, Hutchins, C.W, Lubben, T.H, Ballaron, S.J, Hassach, D.L, Kaszubska, W, Rondinone, C.M, Trevillyan, J.M, Jirousek, M.R. | 登録日 | 2004-08-31 | 公開日 | 2004-10-19 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Isoxazole carboxylic acids as protein tyrosine phosphatase 1B (PTP1B) inhibitors. Bioorg.Med.Chem.Lett., 14, 2004
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1ONY
| Oxalyl-Aryl-Amino Benzoic Acid inhibitors of PTP1B, compound 17 | 分子名称: | 2-{[2-(2-CARBAMOYL-VINYL)-4-(2-METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | 著者 | Liu, G, Szczepankiewicz, B.G, Pei, Z, Janowich, D.A, Xin, Z, Hadjuk, P.J, Abad-Zapatero, C, Liang, H, Hutchins, C.W, Fesik, S.W, Ballaron, S.J, Stashko, M.A, Lubben, T, Mika, A.K, Zinker, B.A, Trevillyan, J.M, Jirousek, M.R. | 登録日 | 2003-03-02 | 公開日 | 2003-05-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery and Structure-Activity Relationship of Oxalylarylaminobenzoic
Acids as Inhibitors of Protein Tyrosine Phosphatase 1B J.Med.Chem., 46, 2003
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1NL9
| Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 12 Using a Linked-Fragment Strategy | 分子名称: | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | 著者 | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R. | 登録日 | 2003-01-06 | 公開日 | 2003-04-08 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of a Potent, Selective Protein Tyrosine
Phosphatase 1B Inhibitor Using a
Linked-Fragment Strategy J.Am.Chem.Soc., 125, 2003
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1PH0
| Non-carboxylic Acid-Containing Inhibitor of PTP1B Targeting the Second Phosphotyrosine Site | 分子名称: | 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZ OIC ACID METHYL ESTER, Protein-tyrosine phosphatase, non-receptor type 1 | 著者 | Liu, G, Xin, Z, Liang, H, Abad-Zapatero, C, Hajduk, P, Janowick, D, Szczepankiewicz, B, Pei, Z, Hutchins, C.W, Ballaron, S.J. | 登録日 | 2003-05-29 | 公開日 | 2003-07-29 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Selective Protein Tyrosine Phosphatase 1B Inhibitors: Targeting the Second Phosphotyrosine Binding Site with Non-Carboxylic Acid-Containing Ligands. J.Med.Chem., 46, 2003
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1NNY
| Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 23 Using a Linked-Fragment Strategy | 分子名称: | 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | 著者 | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R. | 登録日 | 2003-01-14 | 公開日 | 2003-04-08 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor
Using a Linked-Fragment Strategy J.Am.Chem.Soc., 125, 2003
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1NO6
| Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 5 Using a Linked-Fragment Strategy | 分子名称: | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | 著者 | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R. | 登録日 | 2003-01-15 | 公開日 | 2003-04-08 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor
Using a Linked-Fragment Strategy J.Am.Chem.Soc., 125, 2003
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2H40
| Crystal structure of the catalytic domain of unliganded PDE5 | 分子名称: | MAGNESIUM ION, ZINC ION, cGMP-specific 3',5'-cyclic phosphodiesterase | 著者 | Wang, H, Liu, Y, Huai, Q, Cai, J, Zoraghi, R, Francis, S.H, Corbin, J.D, Robinson, H, Xin, Z, Lin, G, Ke, H. | 登録日 | 2006-05-23 | 公開日 | 2006-06-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development J.Biol.Chem., 281, 2006
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8TV9
| Inner Mat-T4P complex | 分子名称: | Fimbrial protein, Maturation protein | 著者 | Meng, R, Xing, Z, Thongchol, J, Zhang, J. | 登録日 | 2023-08-17 | 公開日 | 2024-03-06 | 最終更新日 | 2024-04-10 | 実験手法 | ELECTRON MICROSCOPY (8.15 Å) | 主引用文献 | Structural basis of Acinetobacter type IV pili targeting by an RNA virus. Nat Commun, 15, 2024
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8TW2
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8TVA
| Outer Mat-T4P complex | 分子名称: | Fimbrial protein, Maturation protein | 著者 | Meng, R, Xing, Z, Thongchol, J, Zhang, J. | 登録日 | 2023-08-17 | 公開日 | 2024-03-06 | 最終更新日 | 2024-10-09 | 実験手法 | ELECTRON MICROSCOPY (8.55 Å) | 主引用文献 | Structural basis of Acinetobacter type IV pili targeting by an RNA virus. Nat Commun, 15, 2024
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8TOB
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8TOC
| Acinetobacter phage AP205 | 分子名称: | Coat protein, Maturation protein, RNA (4269-MER) | 著者 | Meng, R, Xing, Z, Chang, J, Zhang, J. | 登録日 | 2023-08-03 | 公開日 | 2024-03-06 | 最終更新日 | 2024-04-10 | 実験手法 | ELECTRON MICROSCOPY (3.11 Å) | 主引用文献 | Structural basis of Acinetobacter type IV pili targeting by an RNA virus. Nat Commun, 15, 2024
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8TWC
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6YOO
| Structure of SAMM50 LIR bound to GABARAPL1 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein-like 1, ... | 著者 | Mouilleron, S, Wenxin, Z, Johansen, T, Tooze, S, Abudu, Y.P, Lamark, T. | 登録日 | 2020-04-14 | 公開日 | 2021-04-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Structure of SAMM50 LIR bound to GABARAPL1 To Be Published
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6YOP
| Structure of SAMM50 LIR bound to GABARAP | 分子名称: | Sorting and assembly machinery component 50 homolog,Gamma-aminobutyric acid receptor-associated protein | 著者 | Mouilleron, S, Wenxin, Z, Johansen, T, Tooze, S, Abudu, Y.P, Lamark, T. | 登録日 | 2020-04-14 | 公開日 | 2021-04-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structure of SAMM50 LIR bound to GABARAP To Be Published
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6VRE
| Structure of ASK1 bound to BIO-1772961 | 分子名称: | 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase 5 | 著者 | Chodaparambil, J.V, Marcotte, D.J. | 登録日 | 2020-02-07 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Discovery of CNS-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors. Acs Med.Chem.Lett., 11, 2020
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8TX0
| IRAK4 in complex with compound | 分子名称: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, SODIUM ION, ... | 著者 | Metrick, C.M, Chodaparambil, J.V. | 登録日 | 2023-08-21 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of BIO-8169─A Highly Potent, Selective, and Brain-Penetrant IRAK4 Inhibitor for the Treatment of Neuroinflammation. J.Med.Chem., 67, 2024
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8TVN
| IRAK4 in complex with compound 23 | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-{1-[(1R,2S)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide | 著者 | Metrick, C.M, Chodaparambil, J.V. | 登録日 | 2023-08-18 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A Tiny Pocket Packs a Punch: Leveraging Pyridones for the Discovery of CNS-Penetrant Aza-indazole IRAK4 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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8TVM
| IRAK4 in complex with compound 24 | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide | 著者 | Metrick, C.M, Chodaparambil, J.V. | 登録日 | 2023-08-18 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A Tiny Pocket Packs a Punch: Leveraging Pyridones for the Discovery of CNS-Penetrant Aza-indazole IRAK4 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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3NEW
| p38-alpha complexed with Compound 10 | 分子名称: | 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14 | 著者 | Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D. | 登録日 | 2010-06-09 | 公開日 | 2010-12-01 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases. Acs Chem.Biol., 6, 2011
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