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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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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8JQK
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![BU of 8jqk by Molmil](/molmil-images/mine/8jqk) | Crystal structure of a carbonyl reductase SSCR mutant from Sporobolomyces Salmonicolor | Descriptor: | Aldehyde reductase 2 | Authors: | Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2023-06-14 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer Acs Catalysis, 13, 2023
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8JQJ
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![BU of 8jqj by Molmil](/molmil-images/mine/8jqj) | Crystal structure of carbonyl reductase SSCR mutant 1 from Sporobolomyces Salmonicolor | Descriptor: | Aldehyde reductase 2 | Authors: | Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2023-06-14 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer Acs Catalysis, 13, 2023
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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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4WOZ
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![BU of 4woz by Molmil](/molmil-images/mine/4woz) | Crystal Structures of CdNal from Clostridium difficile in complex with mannosamine | Descriptor: | 2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE, N-acetylneuraminate lyase | Authors: | Liu, W.D, Guo, R.T, Cui, Y.F, Chen, X, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2014-10-17 | Release date: | 2015-10-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal Structures of CdNal from Clostridium difficile in complex with mannosamine to be published
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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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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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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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7BPC
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![BU of 7bpc by Molmil](/molmil-images/mine/7bpc) | Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum in complex with 2,5-DHBA | Descriptor: | 2,3-dihydroxybenzoate decarboxylase, 2,5-dihydroxybenzoic acid, ZINC ION | Authors: | Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2020-03-22 | Release date: | 2020-07-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | 2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism. Chembiochem, 21, 2020
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7BP1
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![BU of 7bp1 by Molmil](/molmil-images/mine/7bp1) | Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum in complex with Catechol | Descriptor: | 2,3-dihydroxybenzoate decarboxylase, CATECHOL, ZINC ION | Authors: | Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2020-03-21 | Release date: | 2020-07-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | 2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism. Chembiochem, 21, 2020
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8H8Y
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![BU of 8h8y by Molmil](/molmil-images/mine/8h8y) | Crystal structure of AbHheG from Acidimicrobiia bacterium | Descriptor: | GLYCEROL, alpha/beta hydrolase | Authors: | Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H. | Deposit date: | 2022-10-24 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides Acs Catalysis, 13, 2023
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8HQP
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![BU of 8hqp by Molmil](/molmil-images/mine/8hqp) | Crystal structure of AbHheG mutant from Acidimicrobiia bacterium | Descriptor: | AbHheG_m | Authors: | Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H. | Deposit date: | 2022-12-13 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides Acs Catalysis, 13, 2023
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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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8XMM
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![BU of 8xmm by Molmil](/molmil-images/mine/8xmm) | Voltage-gated sodium channel Nav1.7 variant M9 | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Yan, N, Li, Z, Wu, Q, Huang, G. | Deposit date: | 2023-12-27 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Dissection of the structure-function relationship of Na v channels. Proc.Natl.Acad.Sci.USA, 121, 2024
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8XMN
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![BU of 8xmn by Molmil](/molmil-images/mine/8xmn) | Voltage-gated sodium channel Nav1.7 variant M2 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Li, Z, Wu, Q, Huang, G. | Deposit date: | 2023-12-27 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Dissection of the structure-function relationship of Na v channels. Proc.Natl.Acad.Sci.USA, 121, 2024
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8XMO
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![BU of 8xmo by Molmil](/molmil-images/mine/8xmo) | Voltage-gated sodium channel Nav1.7 variant M4 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Li, Z, Wu, Q, Huang, G. | Deposit date: | 2023-12-27 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Dissection of the structure-function relationship of Na v channels. Proc.Natl.Acad.Sci.USA, 121, 2024
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2MNC
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![BU of 2mnc by Molmil](/molmil-images/mine/2mnc) | |
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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6J1Q
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![BU of 6j1q by Molmil](/molmil-images/mine/6j1q) | Crystal structure of Candida Antarctica Lipase B mutant - RS | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 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 (1.6 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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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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