4LCL
 
 | | Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD6 mutant (simh6208) | | Descriptor: | ISOPROPYL ALCOHOL, Transesterase | | Authors: | Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y. | | Deposit date: | 2013-06-21 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The role of distant mutations and allosteric regulation on LovD active site dynamics.
Nat.Chem.Biol., 10, 2014
|
|
4LCM
 | | Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD9 mutant (simh9014) | | Descriptor: | Transesterase | | Authors: | Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y. | | Deposit date: | 2013-06-21 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | The role of distant mutations and allosteric regulation on LovD active site dynamics.
Nat.Chem.Biol., 10, 2014
|
|
5YBH
 | |
6PWC
 | | A complex structure of arrestin-2 bound to neurotensin receptor 1 | | Descriptor: | Beta-arrestin-1, Fab30 heavy chain, Fab30 light chain, ... | | Authors: | Yin, W, Li, Z, Jin, M, Yin, Y.-L, de Waal, P.W, Pal, K, Gao, X, He, Y, Gao, J, Wang, X, Zhang, Y, Zhou, H, Melcher, K, Jiang, Y, Cong, Y, Zhou, X.E, Yu, X, Xu, H.E. | | Deposit date: | 2019-07-22 | | Release date: | 2019-12-04 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | A complex structure of arrestin-2 bound to a G protein-coupled receptor.
Cell Res., 29, 2019
|
|
1CX5
 | | ANTISENSE DNA/RNA HYBRID CONTAINING MODIFIED BACKBONE | | Descriptor: | 5'-D(*CP*GP*CP*GP*TP*T*(MMT)P*TP*GP*CP*GP*C), 5'-R(*GP*CP*GP*CP*AP*AP*AP*AP*CP*GP*CP*G) | | Authors: | Yang, X, Han, X, Cross, C, Sanghvi, Y, Gao, X. | | Deposit date: | 1999-08-28 | | Release date: | 1999-09-14 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | NMR structure of an antisense DNA.RNA hybrid duplex containing a 3'-CH(2)N(CH(3))-O-5' or an MMI backbone linker.
Biochemistry, 38, 1999
|
|
6DCG
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | Deposit date: | 2018-05-06 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
|
|
1AC3
 | | SOLUTION STRUCTURE OF AN RNA-DNA HYBRID DUPLEX CONTAINING A 3'-THIOFORMACETAL LINKER AND AN RNA A-TRACT, NMR, 8 STRUCTURES | | Descriptor: | ANTISENSE HYBRID DUPLEX, DNA (5'-D(*(TCP)P*TP*GP*CP*GP*C)-3') | | Authors: | Cross, C.W, Rice, J.S, Gao, X. | | Deposit date: | 1997-02-11 | | Release date: | 1997-06-16 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Solution structure of an RNA x DNA hybrid duplex containing a 3'-thioformacetal linker and an RNA A-tract.
Biochemistry, 36, 1997
|
|
1NOQ
 | | e-motif structure | | Descriptor: | 5'-D(*CP*CP*GP*CP*CP*G)-3' | | Authors: | Zheng, M, Huang, X, Smith, G.K, Yang, X, Gao, X. | | Deposit date: | 2003-01-16 | | Release date: | 2003-02-11 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Genetically unstable CXG repeats are structurally dynamic and have a high propensity for folding.
An NMR and UV spectroscopic study.
J.Mol.Biol., 264, 1996
|
|
4ZWJ
 | | Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser | | Descriptor: | Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin | | Authors: | Kang, Y, Zhou, X.E, Gao, X, He, Y, Liu, W, Ishchenko, A, Barty, A, White, T.A, Yefanov, O, Han, G.W, Xu, Q, de Waal, P.W, Ke, J, Tan, M.H.E, Zhang, C, Moeller, A, West, G.M, Pascal, B, Eps, N.V, Caro, L.N, Vishnivetskiy, S.A, Lee, R.J, Suino-Powell, K.M, Gu, X, Pal, K, Ma, J, Zhi, X, Boutet, S, Williams, G.J, Messerschmidt, M, Gati, C, Zatsepin, N.A, Wang, D, James, D, Basu, S, Roy-Chowdhury, S, Conrad, C, Coe, J, Liu, H, Lisova, S, Kupitz, C, Grotjohann, I, Fromme, R, Jiang, Y, Tan, M, Yang, H, Li, J, Wang, M, Zheng, Z, Li, D, Howe, N, Zhao, Y, Standfuss, J, Diederichs, K, Dong, Y, Potter, C.S, Carragher, B, Caffrey, M, Jiang, H, Chapman, H.N, Spence, J.C.H, Fromme, P, Weierstall, U, Ernst, O.P, Katritch, V, Gurevich, V.V, Griffin, P.R, Hubbell, W.L, Stevens, R.C, Cherezov, V, Melcher, K, Xu, H.E, GPCR Network (GPCR) | | Deposit date: | 2015-05-19 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.302 Å) | | Cite: | Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Nature, 523, 2015
|
|
1NP5
 | | (GAC)3 parallel duplex | | Descriptor: | 5'-D(*GP*AP*CP*GP*AP*CP*GP*AP*C)-3' | | Authors: | Zheng, M, Han, X, Gao, X. | | Deposit date: | 2003-01-17 | | Release date: | 2003-02-11 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Strand polarity of trinucleotide repeat sequences:
NMR studies of parallel/anti-pararell duplex,{d(GAC)3}2
To be Published
|
|
1Q3H
 | | mouse CFTR NBD1 with AMP.PNP | | Descriptor: | ACETIC ACID, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ... | | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | | Deposit date: | 2003-07-29 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
|
|
1R0Z
 | | Phosphorylated Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP | | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | | Deposit date: | 2003-09-23 | | Release date: | 2003-12-09 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
|
|
1R10
 | | Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP, I4122 space group | | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | | Deposit date: | 2003-09-23 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
|
|
1R0Y
 | | Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ADP | | Descriptor: | ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator | | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | | Deposit date: | 2003-09-23 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
|
|
1R0X
 | | Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP | | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | | Deposit date: | 2003-09-23 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
|
|
1R0W
 | | Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) apo | | Descriptor: | ACETIC ACID, Cystic fibrosis transmembrane conductance regulator | | Authors: | Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A. | | Deposit date: | 2003-09-23 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
|
|
1K5I
 | |
1MP7
 | | A Third Complex of Post-Activated Neocarzinostatin Chromophore with DNA. Bulge DNA Binding from the Minor Groove | | Descriptor: | 5'-D(*GP*CP*CP*AP*GP*AP*GP*AP*GP*C)-3', [(R)-4-((1,3-DIOXOLANE-2-OXY)-4-(S)-YL)-4-HYDROXY]-(R)-10-(2-METHYLAMINO-5-METHYL-2,6-DIDEOXYGALACTOPYRANOSYL-OXY)-(R)-11-(2-HYDROXY-5-METHYL-7-METHOXY-1-NAPHTHOYL-OXY)-(R)-12-S-GLUTATHIONYL-4,10,11,12-TETRAHYDROINDACENE | | Authors: | Kwon, Y, Xi, Z, Kappen, L.S, Goldberg, I.H, Gao, X. | | Deposit date: | 2002-09-11 | | Release date: | 2003-02-18 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | New Complex of Post-Activated Neocarzinostatin Chromophore with DNA: Bulge DNA Binding from the Minor Groove
Biochemistry, 42, 2003
|
|
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
|
|
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
|
|
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
|
|
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
|
|
3W95
 | |
2NEO
 | | SOLUTION NMR STRUCTURE OF A TWO-BASE DNA BULGE COMPLEXED WITH AN ENEDIYNE CLEAVING ANALOG, 11 STRUCTURES | | Descriptor: | DNA (5'-D(*CP*CP*CP*GP*AP*TP*GP*CP*PGE*GP*CP*AP*AP*TP*TP*CP*GP*GP*G)-3'), SPIRO[[7-METHOXY-5-METHYL-1,2-DIHYDRO-NAPHTHALENE]-3,1'-[5-HYDROXY-9-[2-METHYLAMINO-2,6-DIDEOXYGALACTOPYRANOSYL-OXY]-5-(2-OXO-[1,3]DIOXOLAN-4-YL)-3A,5,9,9A-TETRAHYDRO-3H-1-OXA-CYCLOPENTA[A]-S-INDACEN-2-ONE]] | | Authors: | Stassinopoulos, A, Ji, J, Gao, X, Goldberg, I.H. | | Deposit date: | 1997-06-19 | | Release date: | 1998-01-28 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a two-base DNA bulge complexed with an enediyne cleaving analog.
Science, 272, 1996
|
|
1XBA
 | | Crystal structure of apo syk tyrosine kinase domain | | Descriptor: | Tyrosine-protein kinase SYK | | Authors: | Atwell, S, Adams, J.M, Badger, J, Buchanan, M.D, Feil, I.K, Froning, K.J, Gao, X, Hendle, J, Keegan, K, Leon, B.C, Muller-Deickmann, H.J, Nienaber, V.L, Noland, B.W, Post, K, Rajashankar, K.R, Ramos, A, Russell, M, Burley, S.K, Buchanan, S.G. | | Deposit date: | 2004-08-30 | | Release date: | 2004-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase.
J.Biol.Chem., 279, 2004
|
|
