6AZF
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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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6AXJ
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4O91
| Crystal Structure of type II inhibitor NG25 bound to TAK1-TAB1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide | Authors: | Gurbani, D, Hunter, J.C, Tan, L, Westover, K.D. | Deposit date: | 2013-12-31 | Release date: | 2014-07-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Discovery of Type II Inhibitors of TGF beta-Activated Kinase 1 (TAK1) and Mitogen-Activated Protein Kinase Kinase Kinase Kinase 2 (MAP4K2). J.Med.Chem., 58, 2015
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5Z6Z
| Crystal structure of human DUX4 homeodomains bound to DNA | Descriptor: | DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4 | Authors: | Li, Y.Y, Wu, B.X, Gan, J.H. | Deposit date: | 2018-01-26 | Release date: | 2018-10-31 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structural basis for multiple gene regulation by human DUX4. Biochem. Biophys. Res. Commun., 505, 2018
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6AWM
| PawL-Derived Peptide PLP-4 | Descriptor: | GLY-LEU-LEU-GLY-ILE-THR-ASP | Authors: | Fisher, M, Mylne, J.S, Howard, M.J. | Deposit date: | 2017-09-05 | Release date: | 2018-03-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch. Plant Direct, 2, 2018
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7DNH
| 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of 2H3 | Descriptor: | Major capsid protein L1, The heavy chain of 2H3 Fab fragment, The light chain of 2H3 Fab fragment | Authors: | He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S. | Deposit date: | 2020-12-09 | Release date: | 2020-12-30 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding. J.Virol., 95, 2021
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5ZUH
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7DNK
| 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of 5G9 | Descriptor: | Major capsid protein L1, The heavy chain of 5G9 Fab fragment, The light chain of 5G9 Fab fragment | Authors: | He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S. | Deposit date: | 2020-12-09 | Release date: | 2020-12-30 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (6.41 Å) | Cite: | Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding. J.Virol., 95, 2021
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5ZX1
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4ES5
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4HVS
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4FS4
| Structure of BACE Bound to (S)-4-(3'-methoxy-[1,1'-biphenyl]-3-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium | Descriptor: | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Strickland, C, Stamford, A. | Deposit date: | 2012-06-26 | Release date: | 2012-10-10 | Last modified: | 2014-07-23 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase. ACS Med Chem Lett, 3, 2012
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2JZ3
| SOCS box elonginBC ternary complex | Descriptor: | Suppressor of cytokine signaling 3, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2 | Authors: | Babon, J.J, Sabo, J, Soetopo, A, Yao, S, Bailey, M.F, Zhang, J, Nicola, N.A, Norton, R.S. | Deposit date: | 2007-12-27 | Release date: | 2008-09-23 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The SOCS box domain of SOCS3: structure and interaction with the elonginBC-cullin5 ubiquitin ligase J.Mol.Biol., 381, 2008
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2LN0
| Structure of MOZ | Descriptor: | Histone acetyltransferase KAT6A, ZINC ION | Authors: | Qiu, Y. | Deposit date: | 2011-12-15 | Release date: | 2012-06-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription. Genes Dev., 26, 2012
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2L83
| A protein from Haloferax volcanii | Descriptor: | Small archaeal modifier protein 1 | Authors: | Zhang, W, Liao, S, Fan, K, Tu, X. | Deposit date: | 2011-01-03 | Release date: | 2012-01-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Ionic strength-dependent conformations of a ubiquitin-like small archaeal modifier protein (SAMP1) from Haloferax volcanii. Protein Sci., 22, 2013
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4HPV
| Crystal structure of S-Adenosylmethionine synthetase from Sulfolobus solfataricus | Descriptor: | S-adenosylmethionine synthase | Authors: | Wang, F, Hurley, K.A, Helmich, K.E, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2012-10-24 | Release date: | 2012-11-14 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.214 Å) | Cite: | Understanding molecular recognition of promiscuity of thermophilic methionine adenosyltransferase sMAT from Sulfolobus solfataricus. Febs J., 281, 2014
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5XGP
| structure of Sizzled from Xenopus laevis at 2.08 angstroms resolution | Descriptor: | CHLORIDE ION, SULFATE ION, Secreted Xwnt8 inhibitor sizzled | Authors: | Liu, H, Li, Z, Xu, F. | Deposit date: | 2017-04-15 | Release date: | 2017-08-23 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.077 Å) | Cite: | The crystal structure of full-length Sizzled from Xenopus laevis yields insights into Wnt-antagonistic function of secreted Frizzled-related proteins J. Biol. Chem., 292, 2017
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8SBG
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8SIJ
| Crystal structure of F. varium tryptophanase | Descriptor: | CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Tryptophanase 1, ... | Authors: | Graboski, A.L, Redinbo, M.R. | Deposit date: | 2023-04-16 | Release date: | 2023-08-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate. Cell Chem Biol, 30, 2023
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5Y9F
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5Y9C
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5Y9E
| Crystal structure of HPV58 pentamer | Descriptor: | GLYCEROL, MAGNESIUM ION, Major capsid protein L1 | Authors: | Li, S.W, Li, Z.H. | Deposit date: | 2017-08-24 | Release date: | 2017-10-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.042 Å) | Cite: | Crystal Structures of Two Immune Complexes Identify Determinants for Viral Infectivity and Type-Specific Neutralization of Human Papillomavirus. MBio, 8, 2017
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7E0Z
| Crystal structure of PKAc-PLN complex | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PLN, ... | Authors: | Qin, J, Yuchi, Z. | Deposit date: | 2021-01-28 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.162 Å) | Cite: | Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy. Elife, 11, 2022
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7E12
| Crystal structure of PKAc-A11E complex | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, THR-ARG-SER-GLU-ILE-ARG-ARG-ALA-SER-THR-ILE-GLU, ... | Authors: | Qin, J, Lin, L, Yuchi, Z. | Deposit date: | 2021-01-28 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy. Elife, 11, 2022
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