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3L54
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BU of 3l54 by Molmil
Structure of Pi3K gamma with inhibitor
分子名称: 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Elkins, P.A, Smallwood, A.M.
登録日2009-12-21
公開日2010-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin.
ACS Med Chem Lett, 1, 2010
6J6M
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BU of 6j6m by Molmil
Co-crystal structure of BTK kinase domain with Zanubrutinib
分子名称: (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK
著者Zhou, X, Hong, Y.
登録日2019-01-15
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
8IW5
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BU of 8iw5 by Molmil
Crystal structure of liprin-beta H2H3 dimer
分子名称: CALCIUM ION, Liprin-beta-1
著者Zhang, J, Chen, S, Wei, Z.
登録日2023-03-29
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
8IVZ
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BU of 8ivz by Molmil
Crystal structure of talin R7 in complex with KANK1 KN motif
分子名称: KN motif and ankyrin repeat domains 1, Talin-1
著者Xu, Y, Li, K, Wei, Z, Cong, Y.
登録日2023-03-29
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
8IW0
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BU of 8iw0 by Molmil
Crystal structure of the KANK1/liprin-beta1 complex
分子名称: Liprin-beta-1,KN motif and ankyrin repeat domain-containing protein 1
著者Zhang, J, Chen, S, Wei, Z, Yu, C.
登録日2023-03-29
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
6J1O
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BU of 6j1o by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI from Aspergillus flavus
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, O-methyltransferase lepI, S-ADENOSYLMETHIONINE
著者Qiu, S, Wei, C.
登録日2018-12-28
公開日2019-05-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6J46
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BU of 6j46 by Molmil
LepI-SAH complex structure
分子名称: O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE
著者Qiu, S, Wei, C.
登録日2019-01-08
公開日2019-05-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.621 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6J24
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BU of 6j24 by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate
分子名称: (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione, O-methyltransferase, S-ADENOSYLMETHIONINE
著者Qiu, S, Wei, C.
登録日2018-12-30
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
2X3V
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BU of 2x3v by Molmil
Structure of The F-BAR Domain of Mouse Syndapin I
分子名称: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 1
著者Ma, Q, Rao, Y, Vahedi-Faridi, A, Saenger, W, Haucke, V.
登録日2010-01-27
公開日2010-04-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Molecular Basis for SH3 Domain Regulation of F-Bar-Mediated Membrane Deformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
2X3W
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BU of 2x3w by Molmil
structure of mouse syndapin I (crystal form 2)
分子名称: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 1
著者Ma, Q, Rao, Y, Saenger, W, Haucke, V.
登録日2010-01-28
公開日2010-04-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Molecular Basis for SH3 Domain Regulation of F-Bar-Mediated Membrane Deformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
2X3X
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BU of 2x3x by Molmil
structure of mouse syndapin I (crystal form 1)
分子名称: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 1
著者Ma, Q, Rao, Y, Vahedi-Faridi, A, Saenger, W, Haucke, V.
登録日2010-01-28
公開日2010-04-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Molecular Basis for SH3 Domain Regulation of F-Bar-Mediated Membrane Deformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
7CMW
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BU of 7cmw by Molmil
Complex structure of PARP1 catalytic domain with pamiparib
分子名称: (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1
著者Feng, Y.C, Peng, H, Hong, Y, Liu, Y.
登録日2020-07-29
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development.
J.Med.Chem., 63, 2020
7YC9
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BU of 7yc9 by Molmil
Co-crystal structure of BTK kinase domain with inhibitor
分子名称: (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK
著者Zhou, X.
登録日2022-07-01
公開日2023-05-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
5WIY
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BU of 5wiy by Molmil
Kelch domain of human Keap1 bound to small molecule inhibitor fragment: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione
分子名称: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, Kelch-like ECH-associated protein 1, SULFATE ION
著者Carolan, J.P, Lynch, A.J, Allen, K.N.
登録日2017-07-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
5WHL
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BU of 5whl by Molmil
Kelch domain of human Keap1 bound to inhibitory small molecule fragment: hydroxyphenyl propionic acid
分子名称: HYDROXYPHENYL PROPIONIC ACID, Kelch-like ECH-associated protein 1, SULFATE ION
著者Carolan, J.P, Lynch, A.J, Allen, K.N.
登録日2017-07-17
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
5WG1
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BU of 5wg1 by Molmil
Kelch domain of human Keap1 bound to mutant Nrf2 EAGE peptide
分子名称: Kelch-like ECH-associated protein 1, Nrf2 EAGE mutant peptide, SULFATE ION
著者Carolan, J.P, Lynch, A.J, Allen, K.N.
登録日2017-07-13
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.021 Å)
主引用文献Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
5WFV
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BU of 5wfv by Molmil
Kelch domain of human Keap1 bound to Nrf2 ETGE peptide
分子名称: Kelch-like ECH-associated protein 1, Nrf2 ETGE peptide, SULFATE ION
著者Carolan, J.P, Lynch, A.J, Allen, K.N.
登録日2017-07-12
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
5WHO
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BU of 5who by Molmil
Kelch domain of human Keap1 bound to small molecule inhibitor fragment: 4-oxo-4H-1-benzopyran-2-carboxylic acid
分子名称: 4-oxo-4H-1-benzopyran-2-carboxylic acid, Kelch-like ECH-associated protein 1, SULFATE ION
著者Carolan, J.P, Lynch, A.J, Allen, K.N.
登録日2017-07-17
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
7YFK
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BU of 7yfk by Molmil
The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin
分子名称: Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1
著者Xia, Y, Yao, D, Huang, C, Cao, Y.
登録日2022-07-08
公開日2023-06-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions.
Nat Commun, 14, 2023
7CO7
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BU of 7co7 by Molmil
HtrA-type protease AlgWS227A with decapeptide
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, AlgW protein, decapeptide SVRDELRWVF
著者Li, T, Song, Y.J, Bao, R.
登録日2020-08-04
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa.
Mbio, 12, 2021
7CO5
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BU of 7co5 by Molmil
HtrA-type protease AlgW with decapeptide
分子名称: AlgW protein, IMIDAZOLE, decapeptide SVRDELRWVF
著者Li, T, Song, Y.J, Bao, R.
登録日2020-08-03
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.345 Å)
主引用文献Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa.
Mbio, 12, 2021
7CO3
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BU of 7co3 by Molmil
HtrA-type protease AlgWS227A with tripeptide
分子名称: AlgW protein, TRP-VAL-PHE
著者Li, T, Song, Y.J, Bao, R.
登録日2020-08-03
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa.
Mbio, 12, 2021
7CO2
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BU of 7co2 by Molmil
HtrA-type protease AlgW with tripeptide
分子名称: AlgW protein, IMIDAZOLE, TRP-VAL-PHE
著者Li, T, Song, Y.J, Bao, R.
登録日2020-08-03
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa.
Mbio, 12, 2021
6JYJ
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BU of 6jyj by Molmil
Crystal structure of FAM46B (TENT5B)
分子名称: CITRATE ANION, Terminal nucleotidyltransferase 5B
著者Zhang, H, Hu, J.L, Gao, S.
登録日2019-04-26
公開日2020-03-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.693199 Å)
主引用文献FAM46B is a prokaryotic-like cytoplasmic poly(A) polymerase essential in human embryonic stem cells.
Nucleic Acids Res., 48, 2020
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