8GV3
 
 | | The cryo-EM structure of GSNOR with NYY001 | | Descriptor: | (4P)-4-{2-[4-(1H-imidazol-1-yl)phenyl]-5-[3-oxo-3-(2-oxo-1,3-thiazolidin-3-yl)propyl]-1H-pyrrol-1-yl}-3-methylbenzamide, Alcohol dehydrogenase class-3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Xia, Y, Zhang, Q, Yao, D, Zhao, S, Xie, L, Ji, Y, Cao, Y. | | Deposit date: | 2022-09-14 | | Release date: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | The cryo-EM structure of GSNOR with NYY001
To Be Published
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7F3N
 | | Structure of PopP2 in apo form | | Descriptor: | Type III effector protein popp2 | | Authors: | Xia, Y, Zhang, Z.M. | | Deposit date: | 2021-06-16 | | Release date: | 2021-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.351856 Å) | | Cite: | Secondary-structure switch regulates the substrate binding of a YopJ family acetyltransferase.
Nat Commun, 12, 2021
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1LKN
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7F32
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7JUA
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7JTJ
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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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5KSJ
 | | Crystal structure of deoxygenated hemoglobin in complex with Sphingosine phosphate | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Ahmed, M.H, Safo, M.K, Xia, Y. | | Deposit date: | 2016-07-08 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
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5KSI
 | | Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate | | Descriptor: | (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ... | | Authors: | Ahmed, M.H, Safo, M.K, Xia, Y. | | Deposit date: | 2016-07-08 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
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6X5J
 | | Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors | | Descriptor: | 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, Coagulation factor IX, ... | | Authors: | Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S. | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-24 | | Method: | X-RAY DIFFRACTION (2.513 Å) | | Cite: | Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6X5L
 | | Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors | | Descriptor: | 4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ... | | Authors: | Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S. | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-24 | | Method: | X-RAY DIFFRACTION (2.246 Å) | | Cite: | Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6X5P
 | | Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors | | Descriptor: | 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ... | | Authors: | Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S. | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-24 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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5GNV
 | | Structure of PSD-95/MAP1A complex reveals unique target recognition mode of MAGUK GK domain | | Descriptor: | Disks large homolog 4, Microtubule-associated protein 1A, SULFATE ION | | Authors: | Shang, Y, Xia, Y, Zhu, R, Zhu, J. | | Deposit date: | 2016-07-25 | | Release date: | 2017-08-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.596 Å) | | Cite: | Structure of the PSD-95/MAP1A complex reveals a unique target recognition mode of the MAGUK GK domain
Biochem. J., 474, 2017
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8JFQ
 | | Structure of the Major G-Quadruplex in the Human EGFR Oncogene Promoter Adopts a Unique Folding Topology with a Distinctive Snap-back Loop | | Descriptor: | 26mer-DNA | | Authors: | Liu, Y, Li, J, Zhang, Y, Wang, Y, Chen, J, Bian, Y, Xia, Y, Yang, M.H, Zheng, K, Wang, K.B, Kong, L.Y. | | Deposit date: | 2023-05-18 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-09 | | Method: | SOLUTION NMR | | Cite: | Structure of the Major G-Quadruplex in the Human EGFR Oncogene Promoter Adopts a Unique Folding Topology with a Distinctive Snap-Back Loop.
J.Am.Chem.Soc., 145, 2023
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4N1Z
 | | Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1222 | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Liu, Y.L, Xia, Y, Zhang, Y, Verma, I, Oldfield, E. | | Deposit date: | 2013-10-04 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A combination therapy for KRAS-driven lung adenocarcinomas using lipophilic bisphosphonates and rapamycin.
Sci Transl Med, 6, 2014
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7EQ4
 | | Crystal Structure of the N-terminus of Nonstructural protein 1 from SARS-CoV-2 | | Descriptor: | Host translation inhibitor nsp1 | | Authors: | Liu, Y, Ke, Z, Hu, H, Zhao, K, Xiao, J, Xia, Y, Li, Y. | | Deposit date: | 2021-04-29 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural Basis and Function of the N Terminus of SARS-CoV-2 Nonstructural Protein 1.
Microbiol Spectr, 9, 2021
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7F40
 | | Lysophospholipid acyltransferase LPCAT3 in a complex with Arachidonoyl-CoA | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, LPCAT3, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate | | Authors: | Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Shen, Y, Cao, Y. | | Deposit date: | 2021-06-17 | | Release date: | 2021-12-01 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3.
Nat Commun, 12, 2021
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7EWT
 | | The crystal structure of Lysophospholipid acyltransferase LPCAT3 (MOBAT5) in its monomeric and apo form | | Descriptor: | Lysophospholipid acyltransferase 5 | | Authors: | Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Cao, Y. | | Deposit date: | 2021-05-26 | | Release date: | 2021-12-01 | | Last modified: | 2021-12-08 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3.
Nat Commun, 12, 2021
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7F3X
 | | Lysophospholipid acyltransferase LPCAT3 in complex with lysophosphatidylcholine | | Descriptor: | LPCAT3, [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM | | Authors: | Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Shen, Y, Cao, Y. | | Deposit date: | 2021-06-17 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3.57 Å) | | Cite: | The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3.
Nat Commun, 12, 2021
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4A4T
 | | UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops | | Descriptor: | 5'-R(*GP*GP*AP*CP*CP*CP*GP*GP*CP*UP*UP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3' | | Authors: | Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G. | | Deposit date: | 2011-10-20 | | Release date: | 2012-05-30 | | Last modified: | 2017-04-19 | | Method: | SOLUTION NMR | | Cite: | Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012
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4A4S
 | | UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops | | Descriptor: | 5'-R(*GP*GP*AP*CP*CP*CP*GP*GP*CP*UP*CP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3' | | Authors: | Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G. | | Deposit date: | 2011-10-20 | | Release date: | 2012-05-30 | | Last modified: | 2017-04-19 | | Method: | SOLUTION NMR | | Cite: | Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012
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4A4R
 | | UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops | | Descriptor: | 5'-R(*GMP*GP*AP*CP*CP*CP*GP*GP*CP*UP*AP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3' | | Authors: | Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G. | | Deposit date: | 2011-10-20 | | Release date: | 2012-05-30 | | Method: | SOLUTION NMR | | Cite: | Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012
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4A4U
 | | UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops | | Descriptor: | 5'-R(*GP*GP*AP*CP*CP*CP*GP*GP*CP*UP*GP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3' | | Authors: | Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G. | | Deposit date: | 2011-10-20 | | Release date: | 2012-05-30 | | Last modified: | 2017-04-19 | | Method: | SOLUTION NMR | | Cite: | Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012
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2N9B
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1IAY
 | | CRYSTAL STRUCTURE OF ACC SYNTHASE COMPLEXED WITH COFACTOR PLP AND INHIBITOR AVG | | Descriptor: | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE 2, 2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACID, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Huai, Q, Xia, Y, Chen, Y, Callahan, B, Li, N, Ke, H. | | Deposit date: | 2001-03-24 | | Release date: | 2001-04-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of 1-aminocyclopropane-1-carboxylate (ACC) synthase in complex with aminoethoxyvinylglycine and pyridoxal-5'-phosphate provide new insight into catalytic mechanisms
J.Biol.Chem., 276, 2001
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