6LBK
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5WHL
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5WIY
| Kelch domain of human Keap1 bound to small molecule inhibitor fragment: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione | Descriptor: | 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | Deposit date: | 2017-07-20 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | 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
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5WFL
| Kelch domain of human Keap1 in open unliganded conformation | Descriptor: | Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | Deposit date: | 2017-07-12 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | 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
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5WG1
| Kelch domain of human Keap1 bound to mutant Nrf2 EAGE peptide | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 EAGE mutant peptide, SULFATE ION | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | Deposit date: | 2017-07-13 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.021 Å) | Cite: | 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
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5WFV
| Kelch domain of human Keap1 bound to Nrf2 ETGE peptide | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 ETGE peptide, SULFATE ION | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | Deposit date: | 2017-07-12 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | 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
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5WHO
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7CO3
| HtrA-type protease AlgWS227A with tripeptide | Descriptor: | AlgW protein, TRP-VAL-PHE | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-03 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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7CO2
| HtrA-type protease AlgW with tripeptide | Descriptor: | AlgW protein, IMIDAZOLE, TRP-VAL-PHE | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-03 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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7CO7
| HtrA-type protease AlgWS227A with decapeptide | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, AlgW protein, decapeptide SVRDELRWVF | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-04 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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7CO5
| HtrA-type protease AlgW with decapeptide | Descriptor: | AlgW protein, IMIDAZOLE, decapeptide SVRDELRWVF | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-03 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.345 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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3L54
| Structure of Pi3K gamma with inhibitor | Descriptor: | 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 | Authors: | Elkins, P.A, Smallwood, A.M. | Deposit date: | 2009-12-21 | Release date: | 2010-06-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin. ACS Med Chem Lett, 1, 2010
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6J1O
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6J46
| LepI-SAH complex structure | Descriptor: | O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Qiu, S, Wei, C. | Deposit date: | 2019-01-08 | Release date: | 2019-05-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.621 Å) | Cite: | Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme. Signal Transduct Target Ther, 4, 2019
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6J24
| Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate | Descriptor: | (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 | Authors: | Qiu, S, Wei, C. | Deposit date: | 2018-12-30 | Release date: | 2019-05-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.244 Å) | Cite: | Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme. Signal Transduct Target Ther, 4, 2019
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3L08
| Structure of Pi3K gamma with a potent inhibitor: GSK2126458 | Descriptor: | 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Elkins, P.A, Marrero, E.M. | Deposit date: | 2009-12-09 | Release date: | 2010-06-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin. ACS Med Chem Lett, 1, 2010
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4GAH
| Human acyl-CoA thioesterases 4 in complex with undecan-2-one-CoA inhibitor | Descriptor: | Thioesterase superfamily member 4, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-[(2R)-2-oxidanylundecyl]sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate | Authors: | Lim, K, Pathak, M.C, Herzberg, O. | Deposit date: | 2012-07-25 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Correlation of structure and function in the human hotdog-fold enzyme hTHEM4. Biochemistry, 51, 2012
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8IW5
| Crystal structure of liprin-beta H2H3 dimer | Descriptor: | CALCIUM ION, Liprin-beta-1 | Authors: | Zhang, J, Chen, S, Wei, Z. | Deposit date: | 2023-03-29 | Release date: | 2023-11-08 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation. Cell Rep, 42, 2023
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8IW0
| Crystal structure of the KANK1/liprin-beta1 complex | Descriptor: | Liprin-beta-1,KN motif and ankyrin repeat domain-containing protein 1 | Authors: | Zhang, J, Chen, S, Wei, Z, Yu, C. | Deposit date: | 2023-03-29 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation. Cell Rep, 42, 2023
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8IVZ
| Crystal structure of talin R7 in complex with KANK1 KN motif | Descriptor: | KN motif and ankyrin repeat domains 1, Talin-1 | Authors: | Xu, Y, Li, K, Wei, Z, Cong, Y. | Deposit date: | 2023-03-29 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation. Cell Rep, 42, 2023
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7YC9
| Co-crystal structure of BTK kinase domain with inhibitor | Descriptor: | (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 | Authors: | Zhou, X. | Deposit date: | 2022-07-01 | Release date: | 2023-05-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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
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7YFK
| The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin | Descriptor: | Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 | Authors: | Xia, Y, Yao, D, Huang, C, Cao, Y. | Deposit date: | 2022-07-08 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions. Nat Commun, 14, 2023
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2X3V
| Structure of The F-BAR Domain of Mouse Syndapin I | Descriptor: | PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 1 | Authors: | Ma, Q, Rao, Y, Vahedi-Faridi, A, Saenger, W, Haucke, V. | Deposit date: | 2010-01-27 | Release date: | 2010-04-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Molecular Basis for SH3 Domain Regulation of F-Bar-Mediated Membrane Deformation. Proc.Natl.Acad.Sci.USA, 107, 2010
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2X3X
| structure of mouse syndapin I (crystal form 1) | Descriptor: | PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 1 | Authors: | Ma, Q, Rao, Y, Vahedi-Faridi, A, Saenger, W, Haucke, V. | Deposit date: | 2010-01-28 | Release date: | 2010-04-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Molecular Basis for SH3 Domain Regulation of F-Bar-Mediated Membrane Deformation. Proc.Natl.Acad.Sci.USA, 107, 2010
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2X3W
| structure of mouse syndapin I (crystal form 2) | Descriptor: | PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 1 | Authors: | Ma, Q, Rao, Y, Saenger, W, Haucke, V. | Deposit date: | 2010-01-28 | Release date: | 2010-04-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Molecular Basis for SH3 Domain Regulation of F-Bar-Mediated Membrane Deformation. Proc.Natl.Acad.Sci.USA, 107, 2010
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