8I6M
| Acyl-ACP synthetase structure bound to AMP-C18:1 | Descriptor: | ADENOSINE MONOPHOSPHATE, Acyl-acyl carrier protein synthetase, MAGNESIUM ION, ... | Authors: | Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | Deposit date: | 2023-01-28 | Release date: | 2024-01-31 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Acyl-ACP synthetase structure bound to AMP-C18:1 To Be Published
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8I51
| Acyl-ACP synthetase structure bound to AMP-MC7 | Descriptor: | 7-methoxy-7-oxidanylidene-heptanoic acid, ADENOSINE MONOPHOSPHATE, Acyl-acyl carrier protein synthetase, ... | Authors: | Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | Deposit date: | 2023-01-21 | Release date: | 2024-01-24 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Acyl-ACP synthetase structure bound to AMP-MC7 To Be Published
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8I49
| Acyl-ACP synthetase structure bound to ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Acyl-acyl carrier protein synthetase | Authors: | Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | Deposit date: | 2023-01-18 | Release date: | 2024-01-24 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | Acyl-ACP synthetase structure bound to ATP. To Be Published
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3FPP
| Crystal structure of E.coli MacA | Descriptor: | Macrolide-specific efflux protein macA | Authors: | Yum, S, Xu, Y, Piao, S, Ha, N.-C. | Deposit date: | 2009-01-06 | Release date: | 2009-04-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal structure of the periplasmic component of a tripartite macrolide-specific efflux pump J.Mol.Biol., 387, 2009
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2M6B
| Structure of full-length transmembrane domains of human glycine receptor alpha1 monomer subunit | Descriptor: | Full-Length Transmembrane Domains of Human Glycine Receptor alpha1 Subunit | Authors: | Mowrey, D, Cui, T, Jia, Y, Ma, D, Makhov, A.M, Zhang, P, Tang, P, Xu, Y. | Deposit date: | 2013-03-28 | Release date: | 2013-09-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Open-Channel Structures of the Human Glycine Receptor alpha 1 Full-Length Transmembrane Domain. Structure, 21, 2013
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2M6I
| Putative pentameric open-channel structure of full-length transmembrane domains of human glycine receptor alpha1 subunit | Descriptor: | Full-Length Transmembrane Domains of Human Glycine Receptor alpha1 Subunit | Authors: | Mowrey, D, Cui, T, Jia, Y, Ma, D, Makhov, A.M, Zhang, P, Tang, P, Xu, Y. | Deposit date: | 2013-03-29 | Release date: | 2013-09-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Open-Channel Structures of the Human Glycine Receptor alpha 1 Full-Length Transmembrane Domain. Structure, 21, 2013
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7CUN
| The structure of human Integrator-PP2A complex | Descriptor: | Integrator complex subunit 1, Integrator complex subunit 11, Integrator complex subunit 2, ... | Authors: | Zheng, H, Qi, Y, Liu, W, Li, J, Wang, J, Xu, Y. | Deposit date: | 2020-08-23 | Release date: | 2020-11-25 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Identification of Integrator-PP2A complex (INTAC), an RNA polymerase II phosphatase. Science, 370, 2020
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4HSU
| Crystal structure of LSD2-NPAC with H3(1-26)in space group P21 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3, Lysine-specific histone demethylase 1B, ... | Authors: | Chen, F, Dong, Z, Fang, J, Xu, Y. | Deposit date: | 2012-10-30 | Release date: | 2013-02-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.988 Å) | Cite: | Structural insight into substrate recognition by histone demethylase LSD2/KDM1b. Cell Res., 23, 2013
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4NDZ
| Structure of Maltose Binding Protein fusion to 2-O-Sulfotransferase with bound heptasaccharide and PAP | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Maltose-binding periplasmic protein, Heparan sulfate 2-O-sulfotransferase 1 fusion, ... | Authors: | Liu, C, Sheng, J, Krahn, J.M, Perera, L, Xu, Y, Hsieh, P, Liu, J, Pedersen, L.C. | Deposit date: | 2013-10-28 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Deciphering the role of 2-O-sulfotransferase in regulating heparan sulfate biosynthesis To be Published
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7VPP
| Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ji, W, Xu, Y, Zhang, S. | Deposit date: | 2021-10-17 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structures of a deltacoronavirus spike protein bound to porcine and human receptors. Nat Commun, 13, 2022
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7VPQ
| Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ji, W, Xu, Y, Zhang, S. | Deposit date: | 2021-10-17 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of a deltacoronavirus spike protein bound to porcine and human receptors. Nat Commun, 13, 2022
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5XST
| novel orally efficacious inhibitors complexed with PARP1 | Descriptor: | 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Liu, Q, Xu, Y. | Deposit date: | 2017-06-15 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors Eur J Med Chem, 145, 2018
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5XSR
| novel orally efficacious inhibitors complexed with PARP1 | Descriptor: | 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Liu, Q, Xu, Y. | Deposit date: | 2017-06-15 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors Eur J Med Chem, 145, 2018
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7VXY
| Zika virus NS2B/NS3 protease bZipro(C143S) in complex with D-RKOR | Descriptor: | Peptide inhibitor, Serine protease NS3, Serine protease subunit NS2B | Authors: | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | Deposit date: | 2021-11-13 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease. Bioorg.Chem., 128, 2022
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7VXX
| Zika virus NS2B/NS3 protease bZipro(C143S) in complex with 4-amino benzamidine | Descriptor: | P-AMINO BENZAMIDINE, Serine protease NS3, Serine protease subunit NS2B | Authors: | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | Deposit date: | 2021-11-13 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease. Bioorg.Chem., 128, 2022
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7WL4
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor SLP-50 | Descriptor: | Bromodomain-containing protein 4, ~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide | Authors: | Zhang, C, Wang, C, Li, W, Zhang, Y, Xu, Y, Sun, L. | Deposit date: | 2022-01-12 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Design, synthesis, and anticancer evaluation of ammosamide B with pyrroloquinoline derivatives as novel BRD4 inhibitors. Bioorg.Chem., 127, 2022
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5ZCS
| 4.9 Angstrom Cryo-EM structure of human mTOR complex 2 | Descriptor: | Rapamycin-insensitive companion of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex 2 subunit MAPKAP1, ... | Authors: | Chen, X, Liu, M, Tian, Y, Wang, H, Wang, J, Xu, Y. | Deposit date: | 2018-02-20 | Release date: | 2018-03-21 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Cryo-EM structure of human mTOR complex 2. Cell Res., 28, 2018
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6LRM
| Crystal structure of PDE4D catalytic domain in complex with arctigenin | Descriptor: | 1,2-ETHANEDIOL, Arctigenin, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Li, M.J, Xu, Y.C. | Deposit date: | 2020-01-16 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Identification of phosphodiesterase-4 as the therapeutic target of arctigenin in alleviating psoriatic skin inflammation. J Adv Res, 33, 2021
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5YZ0
| Cryo-EM Structure of human ATR-ATRIP complex | Descriptor: | ATR-interacting protein, Serine/threonine-protein kinase ATR | Authors: | Rao, Q, Liu, M, Tian, Y, Wu, Z, Wang, H, Wang, J, Xu, Y. | Deposit date: | 2017-12-11 | Release date: | 2018-01-31 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Cryo-EM structure of human ATR-ATRIP complex. Cell Res., 28, 2018
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5YZ7
| Crystal structure of OsD14 in complex with D-ring-opened 7'-carba-4BD | Descriptor: | (2Z,4S)-5-(4-bromophenyl)-4-hydroxy-2-methylpent-2-enoic acid, Strigolactone esterase D14 | Authors: | Hirabayashi, K, Jiang, K, Xu, Y, Miyakawa, T, Asami, T, Tanokura, M. | Deposit date: | 2017-12-13 | Release date: | 2018-05-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Rationally Designed Strigolactone Analogs as Antagonists of the D14 Receptor. Plant Cell Physiol., 59, 2018
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5Z0S
| Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor | Descriptor: | 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine, Fibroblast growth factor receptor 1 | Authors: | Liu, Q, Xu, Y. | Deposit date: | 2017-12-20 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Discovery of a Series of 5H-Pyrrolo[2,3-b]pyrazine FGFR Kinase Inhibitors Molecules, 23, 2018
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4QGC
| crystal structure of PKM2-K422R mutant | Descriptor: | GLYCEROL, POTASSIUM ION, Pyruvate kinase PKM, ... | Authors: | Wang, P, Sun, C, Zhu, T, Xu, Y. | Deposit date: | 2014-05-22 | Release date: | 2015-02-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.296 Å) | Cite: | Structural insight into mechanisms for dynamic regulation of PKM2. Protein Cell, 6, 2015
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3RQW
| Crystal structure of acetylcholine bound to a prokaryotic pentameric ligand-gated ion channel, ELIC | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETYLCHOLINE, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, ... | Authors: | Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P. | Deposit date: | 2011-04-28 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.913 Å) | Cite: | Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine. Nat Commun, 3, 2012
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3RQU
| Crystal structure of a prokaryotic pentameric ligand-gated ion channel, ELIC | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, GLYCEROL | Authors: | Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P. | Deposit date: | 2011-04-28 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.089 Å) | Cite: | Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine. Nat Commun, 3, 2012
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2A7N
| Crystal Structure of the G81A mutant of the Active Chimera of (S)-Mandelate Dehydrogenase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, L(+)-mandelate dehydrogenase | Authors: | Sukumar, N, Xu, Y, Mitra, B, Mathews, F.S. | Deposit date: | 2005-07-05 | Release date: | 2006-07-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of the G81A mutant form of the active chimera of (S)-mandelate dehydrogenase and its complex with two of its substrates Acta Crystallogr.,Sect.D, 65, 2009
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