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1QXK
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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
1NZ7
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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
7SFR
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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
1Q1M
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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
1ONZ
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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
1XBO
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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
1ONY
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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
1NL9
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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
1PH0
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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
1NNY
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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
1NO6
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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
2H40
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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
8TV9
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BU of 8tv9 by Molmil
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
8TW2
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Acinetobacter phage AP205 T=4 VLP
分子名称: Coat protein
著者Meng, R, Xing, Z, Zhang, J.
登録日2023-08-19
公開日2024-03-06
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
8TVA
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BU of 8tva by Molmil
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
8TOB
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Acinetobacter GP16 Type IV pilus
分子名称: Fimbrial protein
著者Meng, R, Xing, Z, 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 (3.14 Å)
主引用文献Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
8TOC
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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
8TWC
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Acinetobacter phage AP205 T=3 VLP
分子名称: Coat protein
著者Meng, R, Xing, Z, Zhang, J.
登録日2023-08-20
公開日2024-03-06
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
6YOO
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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
6YOP
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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
6VRE
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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
8TX0
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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
8TVN
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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
8TVM
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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
3NEW
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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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