2AN5
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![BU of 2an5 by Molmil](/molmil-images/mine/2an5) | Structure of human PNMT complexed with S-adenosyl-homocysteine and an inhibitor, trans-(1S,2S)-2-amino-1-tetralol | Descriptor: | PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Gee, C.L, Tyndall, J.D.A, Grunewald, G.L, Wu, Q, McLeish, M.J, Martin, J.L. | Deposit date: | 2005-08-11 | Release date: | 2006-03-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis Biochemistry, 44, 2005
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2AN4
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![BU of 2an4 by Molmil](/molmil-images/mine/2an4) | Structure of PNMT complexed with S-adenosyl-L-homocysteine and the acceptor substrate octopamine | Descriptor: | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, PHOSPHATE ION, Phenylethanolamine N-methyltransferase, ... | Authors: | Gee, C.L, Tyndall, J.D.A, Grunewald, G.L, Wu, Q, McLeish, M.J, Martin, J.L. | Deposit date: | 2005-08-11 | Release date: | 2006-03-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis Biochemistry, 44, 2005
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2F9S
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![BU of 2f9s by Molmil](/molmil-images/mine/2f9s) | 2nd Crystal Structure Of A Soluble Domain Of ResA In The Oxidised Form | Descriptor: | Thiol-disulfide oxidoreductase resA | Authors: | Colbert, C.L, Wu, Q, Erbel, P.J.A, Gardner, K.H, Deisenhofer, J. | Deposit date: | 2005-12-06 | Release date: | 2006-04-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Mechanism of substrate specificity in Bacillus subtilis ResA, a thioredoxin-like protein involved in cytochrome c maturation Proc.Natl.Acad.Sci.USA, 103, 2006
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4JGV
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![BU of 4jgv by Molmil](/molmil-images/mine/4jgv) | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN | Descriptor: | 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | Deposit date: | 2013-03-04 | Release date: | 2013-12-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway. Nat.Chem.Biol., 10, 2014
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4RZF
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![BU of 4rzf by Molmil](/molmil-images/mine/4rzf) | Crystal Structure Analysis of the NUR77 Ligand Binding Domain, S441W mutant | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T. | Deposit date: | 2014-12-21 | Release date: | 2015-03-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation. Nat.Chem.Biol., 11, 2015
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4RZG
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![BU of 4rzg by Molmil](/molmil-images/mine/4rzg) | Crystal Structure Analysis of the DNPA-bounded NUR77 Ligand binding Domain | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate | Authors: | Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T. | Deposit date: | 2014-12-21 | Release date: | 2015-03-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation. Nat.Chem.Biol., 11, 2015
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4KZI
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![BU of 4kzi by Molmil](/molmil-images/mine/4kzi) | Crystal Structure of TR3 LBD in complex with DPDO | Descriptor: | 1-(3,5-dimethoxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | Deposit date: | 2013-05-30 | Release date: | 2013-12-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway. Nat.Chem.Biol., 10, 2014
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1K88
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![BU of 1k88 by Molmil](/molmil-images/mine/1k88) | Crystal structure of procaspase-7 | Descriptor: | procaspase-7 | Authors: | Chai, J, Wu, Q, Shiozaki, E, Srinivasa, S.M, Alnemri, E.S, Shi, Y. | Deposit date: | 2001-10-23 | Release date: | 2001-11-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a procaspase-7 zymogen: mechanisms of activation and substrate binding Cell(Cambridge,Mass.), 107, 2001
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1K86
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![BU of 1k86 by Molmil](/molmil-images/mine/1k86) | Crystal structure of caspase-7 | Descriptor: | caspase-7 | Authors: | Chai, J, Wu, Q, Shiozaki, E, Srinivasa, S.M, Alnemri, E.S, Shi, Y. | Deposit date: | 2001-10-23 | Release date: | 2001-11-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of a procaspase-7 zymogen: mechanisms of activation and substrate binding Cell(Cambridge,Mass.), 107, 2001
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3V3E
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![BU of 3v3e by Molmil](/molmil-images/mine/3v3e) | Crystal Structure of the Human Nur77 Ligand-binding Domain | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | Deposit date: | 2011-12-13 | Release date: | 2012-09-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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3V3Q
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![BU of 3v3q by Molmil](/molmil-images/mine/3v3q) | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ... | Authors: | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | Deposit date: | 2011-12-14 | Release date: | 2012-09-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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7MK3
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![BU of 7mk3 by Molmil](/molmil-images/mine/7mk3) | Crystal structure of NPR1 | Descriptor: | CHLORIDE ION, GLYCEROL, Regulatory protein NPR1, ... | Authors: | Cheng, J, Wu, Q, Zhou, P. | Deposit date: | 2021-04-21 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Structural basis of NPR1 in activating plant immunity. Nature, 605, 2022
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3P4K
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![BU of 3p4k by Molmil](/molmil-images/mine/3p4k) | The third conformation of p38a MAP kinase observed in phosphorylated p38a and in solution | Descriptor: | MAP kinase 14, Mitogen-activated protein kinase 14 | Authors: | Akella, R, Min, X, Wu, Q, Gardner, K.H, Goldsmith, E.J. | Deposit date: | 2010-10-06 | Release date: | 2011-01-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | The third conformation of p38a MAP kinase observed in phosphorylated p38a and in solution Structure, 18, 2010
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6KZ5
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![BU of 6kz5 by Molmil](/molmil-images/mine/6kz5) | Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain | Descriptor: | Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | Authors: | Hong, W, Chen, H, Wu, Q, Lin, T. | Deposit date: | 2019-09-23 | Release date: | 2020-10-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (4.45 Å) | Cite: | Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression. Proc.Natl.Acad.Sci.USA, 117, 2020
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4WHF
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![BU of 4whf by Molmil](/molmil-images/mine/4whf) | Crystal Structure of TR3 LBD in complex with 1-(3,4,5-trihydroxyphenyl)decan-1-one | Descriptor: | 1-(3,4,5-trihydroxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. | Deposit date: | 2014-09-22 | Release date: | 2015-09-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
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4RE8
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![BU of 4re8 by Molmil](/molmil-images/mine/4re8) | Crystal Structure of TR3 LBD in complex with Molecule 5 | Descriptor: | 1-(3,4,5-trihydroxyphenyl)dodecan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Weijia, W, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | Deposit date: | 2014-09-22 | Release date: | 2015-09-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
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4REE
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![BU of 4ree by Molmil](/molmil-images/mine/4ree) | Crystal Structure of TR3 LBD in complex with Molecule 6 | Descriptor: | 1-(2,3,4-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | Deposit date: | 2014-09-22 | Release date: | 2015-09-09 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
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4REF
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![BU of 4ref by Molmil](/molmil-images/mine/4ref) | Crystal Structure of TR3 LBD_L449W in complex with Molecule 2 | Descriptor: | 1-(3,4,5-trihydroxyphenyl)hexan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | Deposit date: | 2014-09-22 | Release date: | 2015-09-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
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2MNC
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![BU of 2mnc by Molmil](/molmil-images/mine/2mnc) | |
5GGM
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![BU of 5ggm by Molmil](/molmil-images/mine/5ggm) | The NMR structure of calmodulin in CTAB reverse micelles | Descriptor: | CALCIUM ION, Calmodulin, TERBIUM(III) ION | Authors: | Xu, G, Cheng, K, Wu, Q, Liu, M, Li, C. | Deposit date: | 2016-06-16 | Release date: | 2016-09-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The NMR structure of calmodulin in CTAB reverse micelles To Be Published
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4LA1
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![BU of 4la1 by Molmil](/molmil-images/mine/4la1) | Crystal structure of SjTGR (thioredoxin glutathione reductase from Schistosoma japonicumi)complex with FAD | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Peng, Y, Wu, Q, Huang, F, Chen, J, Li, X, Zhou, X, Fan, X. | Deposit date: | 2013-06-18 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.348 Å) | Cite: | Crystal structure of SjTGR complex with FAD To be Published
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6J1S
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![BU of 6j1s by Molmil](/molmil-images/mine/6j1s) | Crystal structure of Candida Antarctica Lipase B mutant - SS | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Lipase B, ... | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | Deposit date: | 2018-12-29 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters. J.Am.Chem.Soc., 141, 2019
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6J1T
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![BU of 6j1t by Molmil](/molmil-images/mine/6j1t) | Crystal structure of Candida Antarctica Lipase B mutant SR with product analogue | Descriptor: | (2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | Deposit date: | 2018-12-29 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.783 Å) | Cite: | Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters. J.Am.Chem.Soc., 141, 2019
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6J1P
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![BU of 6j1p by Molmil](/molmil-images/mine/6j1p) | Crystal structure of Candida Antarctica Lipase B mutant - SR | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | Deposit date: | 2018-12-29 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.759 Å) | Cite: | Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters. J.Am.Chem.Soc., 141, 2019
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6J1R
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![BU of 6j1r by Molmil](/molmil-images/mine/6j1r) | Crystal structure of Candida Antarctica Lipase B mutant - RR | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Lipase B, ... | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | Deposit date: | 2018-12-29 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters. J.Am.Chem.Soc., 141, 2019
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