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7F3N
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BU of 7f3n by Molmil
Structure of PopP2 in apo form
分子名称: Type III effector protein popp2
著者Xia, Y, Zhang, Z.M.
登録日2021-06-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.351856 Å)
主引用文献Secondary-structure switch regulates the substrate binding of a YopJ family acetyltransferase.
Nat Commun, 12, 2021
7F32
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Ny-Hydroxyasparagine: A Multifunctional Unnatural Amino Acid That is a Good P1 Substrate of Asparaginyl Peptide Ligases
分子名称: SYCNCLCRRGVCRCICTI
著者Xia, Y, Liu, C.F.
登録日2021-06-15
公開日2022-09-07
実験手法SOLUTION NMR
主引用文献N gamma-Hydroxyasparagine: A Multifunctional Unnatural Amino Acid That is a Good P1 Substrate of Asparaginyl Peptide Ligases.
Angew.Chem.Int.Ed.Engl., 60, 2021
1LKN
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BU of 1lkn by Molmil
Solution NMR Structure of Protein TM_1112 from Thermotoga maritima. Ontario Centre for Structural Proteomics Target TM1112_1_89; Northeast Structural Genomics Consortium Target VT74.
分子名称: hypothetical protein tm1112
著者Xia, Y, Yee, A, Semesi, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
登録日2002-04-25
公開日2003-06-24
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution Structure of Hypothetical Protein tm1112
to be published
5GNV
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BU of 5gnv by Molmil
Structure of PSD-95/MAP1A complex reveals unique target recognition mode of MAGUK GK domain
分子名称: Disks large homolog 4, Microtubule-associated protein 1A, SULFATE ION
著者Shang, Y, Xia, Y, Zhu, R, Zhu, J.
登録日2016-07-25
公開日2017-08-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Structure of the PSD-95/MAP1A complex reveals a unique target recognition mode of the MAGUK GK domain
Biochem. J., 474, 2017
4N1Z
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BU of 4n1z by Molmil
Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1222
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
著者Liu, Y.L, Xia, Y, Zhang, Y, Verma, I, Oldfield, E.
登録日2013-10-04
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A combination therapy for KRAS-driven lung adenocarcinomas using lipophilic bisphosphonates and rapamycin.
Sci Transl Med, 6, 2014
8GV3
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BU of 8gv3 by Molmil
The cryo-EM structure of GSNOR with NYY001
分子名称: (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, ...
著者Xia, Y, Zhang, Q, Yao, D, Zhao, S, Xie, L, Ji, Y, Cao, Y.
登録日2022-09-14
公開日2023-09-20
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献The cryo-EM structure of GSNOR with NYY001
To Be Published
7JUA
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BU of 7jua by Molmil
Crystal structure of the second heterocyclization domain of yersiniabactin synthetase at 2.35 A resolution
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Irp2 protein, SODIUM ION
著者Xia, Y, Soule, J, Dowling, D.P.
登録日2020-08-19
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献High-resolution structures of a siderophore-producing cyclization domain from Yersinia pestis offer a refined proposal of substrate binding.
J.Biol.Chem., 2022
7JTJ
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BU of 7jtj by Molmil
Crystal structure of the second heterocyclization domain of yersiniabactin synthetase
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Irp2 protein, SODIUM ION
著者Xia, Y, Gnann, A.D, Dowling, D.P.
登録日2020-08-17
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献High-resolution structures of a siderophore-producing cyclization domain from Yersinia pestis offer a refined proposal of substrate binding.
J.Biol.Chem., 298, 2022
4LQT
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BU of 4lqt by Molmil
1.10A resolution crystal structure of a superfolder green fluorescent protein (W57A) mutant
分子名称: 1,2-ETHANEDIOL, Green fluorescent protein
著者Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J.
登録日2013-07-19
公開日2013-12-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.
J.Am.Chem.Soc., 135, 2013
4LQU
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BU of 4lqu by Molmil
1.60A resolution crystal structure of a superfolder green fluorescent protein (W57G) mutant
分子名称: Green fluorescent protein
著者Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J.
登録日2013-07-19
公開日2013-12-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.
J.Am.Chem.Soc., 135, 2013
7YFK
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BU of 7yfk by Molmil
The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin
分子名称: Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1
著者Xia, Y, Yao, D, Huang, C, Cao, Y.
登録日2022-07-08
公開日2023-06-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions.
Nat Commun, 14, 2023
5KSI
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BU of 5ksi by Molmil
Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate
分子名称: (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ...
著者Ahmed, M.H, Safo, M.K, Xia, Y.
登録日2016-07-08
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
5SXY
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BU of 5sxy by Molmil
The solution NMR structure for the PqqD truncation of Methylobacterium extorquens PqqCD representing a functional and stand-alone ribosomally synthesized and post-translational modified (RiPP) recognition element (RRE)
分子名称: Bifunctional coenzyme PQQ synthesis protein C/D
著者Evans, R.L, Xia, Y, Wilmot, C.M.
登録日2016-08-10
公開日2017-05-24
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Nuclear Magnetic Resonance Structure and Binding Studies of PqqD, a Chaperone Required in the Biosynthesis of the Bacterial Dehydrogenase Cofactor Pyrroloquinoline Quinone.
Biochemistry, 56, 2017
1IAY
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BU of 1iay by Molmil
CRYSTAL STRUCTURE OF ACC SYNTHASE COMPLEXED WITH COFACTOR PLP AND INHIBITOR AVG
分子名称: 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE 2, 2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Huai, Q, Xia, Y, Chen, Y, Callahan, B, Li, N, Ke, H.
登録日2001-03-24
公開日2001-04-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
6X5J
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BU of 6x5j by Molmil
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
分子名称: 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, Coagulation factor IX, ...
著者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.
登録日2020-05-26
公開日2020-06-24
実験手法X-RAY DIFFRACTION (2.513 Å)
主引用文献Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6X5L
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BU of 6x5l by Molmil
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
分子名称: 4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ...
著者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.
登録日2020-05-26
公開日2020-06-24
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6X5P
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BU of 6x5p by Molmil
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
分子名称: 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ...
著者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.
登録日2020-05-26
公開日2020-06-24
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
5KSJ
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BU of 5ksj by Molmil
Crystal structure of deoxygenated hemoglobin in complex with Sphingosine phosphate
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Ahmed, M.H, Safo, M.K, Xia, Y.
登録日2016-07-08
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
2N9B
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BU of 2n9b by Molmil
Solution NMR Structure of Antiparallel Myosin-10:GCN4 Tandem Coiled-Coil
分子名称: Unconventional myosin-X, General control protein GCN4 fusion
著者Vavra, K.C, Xia, Y, Rock, R.S.
登録日2015-11-12
公開日2016-06-15
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Competition between Coiled-Coil Structures and the Impact on Myosin-10 Bundle Selection
Biophys.J., 110, 2016
8JFQ
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BU of 8jfq by Molmil
Structure of the Major G-Quadruplex in the Human EGFR Oncogene Promoter Adopts a Unique Folding Topology with a Distinctive Snap-back Loop
分子名称: 26mer-DNA
著者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.
登録日2023-05-18
公開日2023-08-02
最終更新日2023-08-09
実験手法SOLUTION NMR
主引用文献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
7F3X
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BU of 7f3x by Molmil
Lysophospholipid acyltransferase LPCAT3 in complex with lysophosphatidylcholine
分子名称: LPCAT3, [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM
著者Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Shen, Y, Cao, Y.
登録日2021-06-17
公開日2021-12-01
最終更新日2022-02-23
実験手法ELECTRON MICROSCOPY (3.57 Å)
主引用文献The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3.
Nat Commun, 12, 2021
7F40
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Lysophospholipid acyltransferase LPCAT3 in a complex with Arachidonoyl-CoA
分子名称: 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
著者Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Shen, Y, Cao, Y.
登録日2021-06-17
公開日2021-12-01
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3.
Nat Commun, 12, 2021
7EQ4
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Crystal Structure of the N-terminus of Nonstructural protein 1 from SARS-CoV-2
分子名称: Host translation inhibitor nsp1
著者Liu, Y, Ke, Z, Hu, H, Zhao, K, Xiao, J, Xia, Y, Li, Y.
登録日2021-04-29
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural Basis and Function of the N Terminus of SARS-CoV-2 Nonstructural Protein 1.
Microbiol Spectr, 9, 2021
7EWT
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BU of 7ewt by Molmil
The crystal structure of Lysophospholipid acyltransferase LPCAT3 (MOBAT5) in its monomeric and apo form
分子名称: Lysophospholipid acyltransferase 5
著者Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Cao, Y.
登録日2021-05-26
公開日2021-12-01
最終更新日2021-12-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3.
Nat Commun, 12, 2021
2MZ0
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BU of 2mz0 by Molmil
Solution NMR Structure of PDFL2.1 from Arabidopsis thaliana
分子名称: Defensin-like protein 32
著者Omidvar, R, Bohlmann, H, Xia, Y, Veglia, G.
登録日2015-02-05
公開日2016-02-17
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of PDFL2.1 from Arabidopsis thaliana
To be Published

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