5X0S
| Solution NMR structure of peptide toxin SsTx from Scolopendra subspinipes mutilans | Descriptor: | SsTx | Authors: | Wu, F, Luo, L, Qu, D, Zhang, L, Tian, C, Lai, R. | Deposit date: | 2017-01-23 | Release date: | 2018-01-24 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Centipedes subdue giant prey by blocking KCNQ channels Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1JXZ
| Structure of the H90Q mutant of 4-Chlorobenzoyl-Coenzyme A Dehalogenase complexed with 4-hydroxybenzoyl-Coenzyme A (product) | Descriptor: | 4-HYDROXYBENZOYL COENZYME A, 4-chlorobenzoyl Coenzyme A dehalogenase, CALCIUM ION, ... | Authors: | Thoden, J.B, Zhang, W, Wei, Y, Luo, L, Taylor, K.L, Yang, G, Dunaway-Mariano, D, Benning, M.M, Holden, H.M. | Deposit date: | 2001-09-10 | Release date: | 2001-10-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Histidine 90 Function in 4-chlorobenzoyl-coenzyme A Dehalogenase Catalysis Biochemistry, 40, 2001
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6JFL
| Nucleotide-free Mitofusin2 (MFN2) | Descriptor: | CALCIUM ION, GLYCEROL, Mitofusin-2,cDNA FLJ57997, ... | Authors: | Li, Y.J, Cao, Y.L, Feng, J.X, Qi, Y.B, Meng, S.X, Yang, J.F, Zhong, Y.T, Kang, S.S, Chen, X.X, Lan, L, Luo, L, Yu, B, Chen, S.D, Chan, D.C, Hu, J.J, Gao, S. | Deposit date: | 2019-02-10 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.806 Å) | Cite: | Structural insights of human mitofusin-2 into mitochondrial fusion and CMT2A onset. Nat Commun, 10, 2019
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6JFM
| Mitofusin2 (MFN2)_T111D | Descriptor: | ACETATE ION, CALCIUM ION, Mitofusin-2,Mitofusin-2 | Authors: | Li, Y.J, Cao, Y.L, Feng, J.X, Qi, Y.B, Meng, S.X, Yang, J.F, Zhong, Y.T, Kang, S.S, Chen, X.X, Lan, L, Luo, L, Yu, B, Chen, S.D, Chan, D.C, Hu, J.J, Gao, S. | Deposit date: | 2019-02-10 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural insights of human mitofusin-2 into mitochondrial fusion and CMT2A onset. Nat Commun, 10, 2019
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6JFK
| GDP bound Mitofusin2 (MFN2) | Descriptor: | CITRIC ACID, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Li, Y.J, Cao, Y.L, Feng, J.X, Qi, Y.B, Meng, S.X, Yang, J.F, Zhong, Y.T, Kang, S.S, Chen, X.X, Lan, L, Luo, L, Yu, B, Chen, S.D, Chan, D.C, Hu, J.J, Gao, S. | Deposit date: | 2019-02-10 | Release date: | 2019-11-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Structural insights of human mitofusin-2 into mitochondrial fusion and CMT2A onset. Nat Commun, 10, 2019
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6KR4
| Crystal structure of the liprin-alpha3_SAM123/LAR_D1D2 complex | Descriptor: | HEXAETHYLENE GLYCOL, Liprin-alpha-3, PHOSPHATE ION, ... | Authors: | Xie, X, Liang, M, Luo, L, Wei, Z. | Deposit date: | 2019-08-20 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis of liprin-alpha-promoted LAR-RPTP clustering for modulation of phosphatase activity. Nat Commun, 11, 2020
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2KOZ
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2KP0
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6J6M
| Co-crystal structure of BTK kinase domain with Zanubrutinib | Descriptor: | (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 | Authors: | Zhou, X, Hong, Y. | Deposit date: | 2019-01-15 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 62, 2019
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8WUL
| Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) | Descriptor: | Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen, ... | Authors: | Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S. | Deposit date: | 2023-10-20 | Release date: | 2024-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen. Commun Biol, 7, 2024
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8WTE
| Crystal structure of TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) | Descriptor: | Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen (Fragment), ... | Authors: | Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S. | Deposit date: | 2023-10-18 | Release date: | 2024-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen. Commun Biol, 7, 2024
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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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4R5Y
| The complex structure of Braf V600E kinase domain with a novel Braf inhibitor | Descriptor: | 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf | Authors: | Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M. | Deposit date: | 2014-08-22 | Release date: | 2016-02-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers. Mol.Cancer Ther., 14, 2015
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8F5F
| human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | Descriptor: | (2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | Deposit date: | 2022-11-14 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.149 Å) | Cite: | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels. Nat Commun, 14, 2023
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8F5J
| human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | Descriptor: | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | Deposit date: | 2022-11-14 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels. Nat Commun, 14, 2023
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8F5S
| human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | Descriptor: | (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | Deposit date: | 2022-11-15 | Release date: | 2023-07-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.793 Å) | Cite: | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels. Nat Commun, 14, 2023
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6U3Q
| The atomic structure of a human adeno-associated virus capsid isolate (AAVhu69/AAVv66) | Descriptor: | Capsid protein VP1 | Authors: | Hsu, H.-L, Brown, A, Loveland, A, Tai, P, Korostelev, A, Gao, G. | Deposit date: | 2019-08-22 | Release date: | 2020-05-27 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.46 Å) | Cite: | Structural characterization of a novel human adeno-associated virus capsid with neurotropic properties. Nat Commun, 11, 2020
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5IZB
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5L7M
| Murin CXCL13 solution structure | Descriptor: | C-X-C motif chemokine 13 | Authors: | Monneau, Y.R, Lortat-Jacob, H. | Deposit date: | 2016-06-03 | Release date: | 2017-06-21 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution structure of CXCL13 and heparan sulfate binding show that GAG binding site and cellular signalling rely on distinct domains. Open Biol, 7, 2017
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6KZ5
| Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain | Descriptor: | Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | Authors: | Hong, W, Chen, H, Wu, Q, Lin, T. | Deposit date: | 2019-09-23 | Release date: | 2020-10-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (4.45 Å) | Cite: | Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression. Proc.Natl.Acad.Sci.USA, 117, 2020
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2FB8
| Structure of the B-Raf kinase domain bound to SB-590885 | Descriptor: | (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, B-Raf proto-oncogene serine/threonine-protein kinase | Authors: | Lougheed, J.C, Lee, J, Chau, D.C, Stout, T.J. | Deposit date: | 2005-12-08 | Release date: | 2006-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Demonstration of a genetic therapeutic index for tumors expressing oncogenic BRAF by the kinase inhibitor SB-590885. Cancer Res., 66, 2006
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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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