3PDN
| Crystal structure of SmyD3 in complex with methyltransferase inhibitor sinefungin | Descriptor: | GLYCEROL, MAGNESIUM ION, SET and MYND domain-containing protein 3, ... | Authors: | Sirinupong, N, Brunzelle, J, Yang, Z. | Deposit date: | 2010-10-23 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Insights into the Autoinhibition and Posttranslational Activation of Histone Methyltransferase SmyD3. J.Mol.Biol., 406, 2011
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3N71
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4PQW
| Crystal Structure of Phospholipase C beta 3 in Complex with PDZ1 of NHERF1 | Descriptor: | CHLORIDE ION, NICKEL (II) ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Jiang, Y, Wang, S, Holcomb, J, Trescott, L, Guan, X, Hou, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2014-03-04 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystallographic analysis of NHERF1-PLC beta 3 interaction provides structural basis for CXCR2 signaling in pancreatic cancer. Biochem.Biophys.Res.Commun., 446, 2014
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1PJ2
| Crystal structure of human mitochondrial NAD(P)+-dependent malic enzyme in a pentary complex with natural substrate malate, cofactor NADH, Mn++, and allosteric activator fumarate | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FUMARIC ACID, ... | Authors: | Tao, X, Yang, Z, Tong, L. | Deposit date: | 2003-05-30 | Release date: | 2003-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of substrate complexes of malic enzyme and insights into the catalytic mechanism. Structure, 11, 2003
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1PJ4
| Crystal structure of human mitochondrial NAD(P)+-dependent malic enzyme in a pentary complex with natural substrate malate, ATP, Mn++, and allosteric activator fumarate. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-MALATE, FUMARIC ACID, ... | Authors: | Tao, X, Yang, Z, Tong, L. | Deposit date: | 2003-05-31 | Release date: | 2003-09-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of substrate complexes of malic enzyme and insights into the catalytic mechanism. Structure, 11, 2003
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3QWW
| Crystal structure of histone lysine methyltransferase SmyD2 in complex with the methyltransferase inhibitor sinefungin | Descriptor: | SET and MYND domain-containing protein 2, SINEFUNGIN, ZINC ION | Authors: | Jiang, Y, Sirinupong, N, Brunzelle, J, Yang, Z. | Deposit date: | 2011-02-28 | Release date: | 2011-07-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of histone and p53 methyltransferase SmyD2 reveal a conformational flexibility of the autoinhibitory C-terminal domain. Plos One, 6, 2011
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3QWV
| Crystal structure of histone lysine methyltransferase SmyD2 in complex with the cofactor product AdoHcy | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SET and MYND domain-containing protein 2, ZINC ION | Authors: | Jiang, Y, Sirinupong, N, Brunzelle, J, Yang, Z. | Deposit date: | 2011-02-28 | Release date: | 2011-07-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal structures of histone and p53 methyltransferase SmyD2 reveal a conformational flexibility of the autoinhibitory C-terminal domain. Plos One, 6, 2011
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8TH1
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8TH7
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1PJ3
| Crystal structure of human mitochondrial NAD(P)+-dependent malic enzyme in a pentary complex with natural substrate pyruvate, cofactor NAD+, Mn++, and allosteric activator fumarate. | Descriptor: | FUMARIC ACID, MANGANESE (II) ION, NAD-dependent malic enzyme, ... | Authors: | Tao, X, Yang, Z, Tong, L. | Deposit date: | 2003-05-30 | Release date: | 2003-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of substrate complexes of malic enzyme and insights into the catalytic mechanism. Structure, 11, 2003
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6B6I
| 2.4A resolution structure of human Norovirus GII.4 protease | Descriptor: | 3C-like protease | Authors: | Muzzarelli, K.M, Kuiper, B.D, Spellmon, N.S, Hackett, J, Brunzelle, J.S, Kovari, I.A, Amblard, F, Yang, Z, Schinazi, R.F, Kovari, L.C. | Deposit date: | 2017-10-02 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural and Antiviral Studies of the Human Norovirus GII.4 Protease. Biochemistry, 58, 2019
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5C7W
| 5'-monophosphate Z:P Guanine Riboswitch bound to hypoxanthine. | Descriptor: | 5'-monophosphate Z:P guanine riboswitch, COBALT HEXAMMINE(III), HYPOXANTHINE | Authors: | Hernandez, A.R, Shao, Y, Hoshika, S, Yang, Z, Shelke, S.A, Herrou, J, Kim, H.-J, Kim, M.-J, Piccirilli, J.A, Benner, S.A. | Deposit date: | 2015-06-25 | Release date: | 2015-08-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | A Crystal Structure of a Functional RNA Molecule Containing an Artificial Nucleobase Pair. Angew.Chem.Int.Ed.Engl., 54, 2015
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8TXH
| Crystal structure of KRAS G12D in complex with GDP and compound 14 | Descriptor: | (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Chen, P, Irimia, A, Yang, Z. | Deposit date: | 2023-08-23 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors. Acs Med.Chem.Lett., 14, 2023
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8TXG
| Crystal structure of KRAS G12D in complex with GDP and compound 8 | Descriptor: | (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Chen, P, Irimia, A, Yang, Z. | Deposit date: | 2023-08-23 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors. Acs Med.Chem.Lett., 14, 2023
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8TXE
| Crystal structure of KRAS G12D in complex with GDP and compound 5 | Descriptor: | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Chen, P, Irimia, A, Yang, Z. | Deposit date: | 2023-08-23 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors. Acs Med.Chem.Lett., 14, 2023
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4N6X
| Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1 | Descriptor: | CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1/Chemokine Receptor CXCR2 fusion protein | Authors: | Lu, G, Wu, Y, Jiang, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2013-10-14 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.051 Å) | Cite: | New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping. Plos One, 8, 2013
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4HBK
| Structure of the Aldose Reductase from Schistosoma japonicum | Descriptor: | Aldo-keto reductase family 1, member B4 (Aldose reductase) | Authors: | Liu, J, Cheng, J, Zhang, X, Yang, Z, Hu, W, Xu, Y. | Deposit date: | 2012-09-28 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Aldose reductase from Schistosoma japonicum: crystallization and structure-based inhibitor screening for discovering antischistosomal lead compounds. Parasit Vectors, 6, 2013
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8TH6
| Crystal Structure of the G3BP1 NTF2-like domain bound to USP10 peptide | Descriptor: | 1,2-ETHANEDIOL, Ras GTPase-activating protein-binding protein 1, Ubiquitin carboxyl-terminal hydrolase 10 | Authors: | Hughes, M.P, Taylor, J.P, Yang, Z. | Deposit date: | 2023-07-14 | Release date: | 2024-03-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Interaction between host G3BP and viral nucleocapsid protein regulates SARS-CoV-2 replication and pathogenicity. Cell Rep, 43, 2024
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7D77
| Cryo-EM structure of the cortisol-bound adhesion receptor GPR97-Go complex | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, Adhesion G protein-coupled receptor G3; GPR97, CHOLESTEROL, ... | Authors: | Ping, Y, Mao, C, Xiao, P, Zhao, R, Jiang, Y, Yang, Z, An, W, Shen, D, Yang, F, Zhang, H, Qu, C, Shen, Q, Tian, C, Li, Z, Li, S, Wang, G, Tao, X, Wen, X, Zhong, Y, Yang, J, Yi, F, Yu, X, Xu, E, Zhang, Y, Sun, J. | Deposit date: | 2020-10-03 | Release date: | 2021-02-03 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structures of the glucocorticoid-bound adhesion receptor GPR97-G o complex. Nature, 589, 2021
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4LMM
| Crystal structure of NHERF1 PDZ1 domain complexed with the CXCR2 C-terminal tail in P21 space group | Descriptor: | ACETIC ACID, CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Jiang, Y, Lu, G, Wu, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2013-07-10 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping. Plos One, 8, 2013
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7D76
| Cryo-EM structure of the beclomethasone-bound adhesion receptor GPR97-Go complex | Descriptor: | (8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, Adhesion G protein-coupled receptor G3; GPR97, CHOLESTEROL, ... | Authors: | Ping, Y, Mao, C, Xiao, P, Zhao, R, Jiang, Y, Yang, Z, An, W, Shen, D, Yang, F, Zhang, H, Qu, C, Shen, Q, Tian, C, Li, Z, Li, S, Wang, G, Tao, X, Wen, X, Zhong, Y, Yang, J, Yi, F, Yu, X, Xu, E, Zhang, Y, Sun, J. | Deposit date: | 2020-10-03 | Release date: | 2021-02-03 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structures of the glucocorticoid-bound adhesion receptor GPR97-G o complex. Nature, 589, 2021
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6BY7
| Folding DNA into a lipid-conjugated nano-barrel for controlled reconstitution of membrane proteins | Descriptor: | DNA (26-MER), DNA (27-MER), DNA (29-MER), ... | Authors: | Dong, Y, Chen, S, Zhang, S, Sodroski, J, Yang, Z, Liu, D, Mao, Y. | Deposit date: | 2017-12-20 | Release date: | 2018-02-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Folding DNA into a Lipid-Conjugated Nanobarrel for Controlled Reconstitution of Membrane Proteins. Angew. Chem. Int. Ed. Engl., 57, 2018
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4MPA
| Crystal structure of NHERF1-CXCR2 signaling complex in P21 space group | Descriptor: | ACETIC ACID, CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1, ... | Authors: | Jiang, Y, Lu, G, Wu, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2013-09-12 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.097 Å) | Cite: | New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping. Plos One, 8, 2013
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4O6F
| Structural Basis of Estrogen Receptor Alpha Methylation Mediated by Histone Methyltransferase SmyD2 | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Estrogen receptor, N-lysine methyltransferase SMYD2, ... | Authors: | Jiang, Y, Trescott, L, Holcomb, J, Brunzelle, J, Sirinupong, N, Shi, X, Yang, Z. | Deposit date: | 2013-12-20 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.822 Å) | Cite: | Structural Insights into Estrogen Receptor alpha Methylation by Histone Methyltransferase SMYD2, a Cellular Event Implicated in Estrogen Signaling Regulation. J.Mol.Biol., 426, 2014
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4JL7
| Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1 | Descriptor: | CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Lu, G, Wu, Y, Jiang, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2013-03-12 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structural Insights into Neutrophilic Migration Revealed by the Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1. Plos One, 8, 2013
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