2FMX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fmx by Molmil](/molmil-images/mine/2fmx) | An open conformation of switch I revealed by Sar1-GDP crystal structure at low Mg(2+) | Descriptor: | GTP-binding protein SAR1b, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Rao, Y, Bian, C, Yuan, C, Li, Y, Huang, M. | Deposit date: | 2006-01-10 | Release date: | 2006-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | An open conformation of switch I revealed by Sar1-GDP crystal structure at low Mg(2+) Biochem.Biophys.Res.Commun., 348, 2006
|
|
2FA9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fa9 by Molmil](/molmil-images/mine/2fa9) | The crystal structure of Sar1[H79G]-GDP provides insight into the coat-controlled GTP hydrolysis in the disassembly of COP II | Descriptor: | GTP-binding protein SAR1b, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Rao, Y, Huang, M, Yuan, C, Bian, C, Hou, X. | Deposit date: | 2005-12-07 | Release date: | 2006-09-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Sar1[H79G]-GDP Which Provides Insight into the Coat-controlled GTP Hydrolysis in the Disassembly of COP II Chin.J.Struct.Chem., 25, 2006
|
|
3VW6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vw6 by Molmil](/molmil-images/mine/3vw6) | Crystal structure of human apoptosis signal-regulating kinase 1 (ASK1) with imidazopyridine inhibitor | Descriptor: | 4-tert-butyl-N-[6-(1H-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]benzamide, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Terao, Y, Suzuki, H, Yoshikawa, M, Yashiro, H, Takekawa, S, Fujitani, Y, Okada, K, Inoue, Y, Yamamoto, Y, Nakagawa, H, Yao, S, Kawamoto, T, Uchikawa, O. | Deposit date: | 2012-08-06 | Release date: | 2012-10-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and biological evaluation of imidazo[1,2-a]pyridines as novel and potent ASK1 inhibitors. Bioorg. Med. Chem. Lett., 22, 2012
|
|
5JWA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jwa by Molmil](/molmil-images/mine/5jwa) | the structure of malaria PfNDH2 | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ... | Authors: | Yu, Y, Yang, Y.Q, Li, X.L, Yu, J, Ge, J.P, Li, J, Rao, Y, Yang, M.J. | Deposit date: | 2016-05-11 | Release date: | 2017-03-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.162 Å) | Cite: | Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria J. Med. Chem., 60, 2017
|
|
7YB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yb1 by Molmil](/molmil-images/mine/7yb1) | Crystal Structure of anthrol reductase (CbAR) in complex with NADP+ | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase | Authors: | Hou, X.D, Rao, Y.J. | Deposit date: | 2022-06-28 | Release date: | 2023-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins. Nat Commun, 14, 2023
|
|
7YB2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yb2 by Molmil](/molmil-images/mine/7yb2) | Crystal Structure of anthrol reductase (CbAR) in complex with NADP+ and emodin | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Hou, X.D, Rao, Y.J. | Deposit date: | 2022-06-28 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins. Nat Commun, 14, 2023
|
|
7Y3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y3y by Molmil](/molmil-images/mine/7y3y) | Crystal structure of BTG13 mutant (T299V) | Descriptor: | FE (III) ION, GLYCEROL, questin oxidase BTG13 | Authors: | Hou, X.D, Fu, K, Rao, Y.J. | Deposit date: | 2022-06-13 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of the Biosynthetic Pathway of Beticolin 1 Reveals a Novel Non-Heme Iron-Dependent Oxygenase for Anthraquinone Ring Cleavage. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7Y3X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y3x by Molmil](/molmil-images/mine/7y3x) | Crystal structure of BTG13 mutant (H58F) | Descriptor: | FE (III) ION, GLYCEROL, Questin oxidase | Authors: | Hou, X.D, Rao, Y.J. | Deposit date: | 2022-06-13 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Discovery of the Biosynthetic Pathway of Beticolin 1 Reveals a Novel Non-Heme Iron-Dependent Oxygenase for Anthraquinone Ring Cleavage. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7Y3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y3w by Molmil](/molmil-images/mine/7y3w) | |
5ZED
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zed by Molmil](/molmil-images/mine/5zed) | Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (E214V/T215S) | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein ADH | Authors: | Wang, Y, Zhou, J.Y, Hou, X.D, Xu, G.C, Wu, L, Rao, Y.J, ZHou, J.H, Ni, Y. | Deposit date: | 2018-02-27 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones. J. Am. Chem. Soc., 140, 2018
|
|
5Z2X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z2x by Molmil](/molmil-images/mine/5z2x) | Structure of Alcohol dehydrogenase from Kluyveromyces polyspora(KpADH) | Descriptor: | 1,2-ETHANEDIOL, Alcohol dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, Y, Zhou, J.Y, Hou, X.D, Xu, G.C, Wu, L, Rao, Y.J, ZHou, J.H, Ni, Y. | Deposit date: | 2018-01-04 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones. J. Am. Chem. Soc., 140, 2018
|
|
7VM0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vm0 by Molmil](/molmil-images/mine/7vm0) | Crystal structure of YojK from B.subtilis in complex with UDP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Glycosyl transferase family 1, ... | Authors: | Hou, X.D, Guo, B.D, Rao, Y.J. | Deposit date: | 2021-10-06 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Highly efficient production of rebaudioside D enabled by structure-guided engineering of bacterial glycosyltransferase YojK. Front Bioeng Biotechnol, 10, 2022
|
|
7W8L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w8l by Molmil](/molmil-images/mine/7w8l) | Crystal Structure of Co-type nitrile hydratase mutant from Pseudonocardia thermophila - M46R | Descriptor: | COBALT (II) ION, Cobalt-containing nitrile hydratase subunit beta, Nitrile hydratase | Authors: | Ma, D, Cheng, Z.Y, Hou, X.D, Peplowski, L, Lai, Q.P, Fu, K, Yin, D.J, Rao, Y.J, Zhou, Z.M. | Deposit date: | 2021-12-08 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Insight into the broadened substrate scope of nitrile hydratase by static and dynamic structure analysis. Chem Sci, 13, 2022
|
|
7W8M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w8m by Molmil](/molmil-images/mine/7w8m) | Crystal structure of Co-type nitrile hydratase mutant from Pseudomonas thermophila - A129R | Descriptor: | COBALT (II) ION, Cobalt-containing nitrile hydratase subunit beta, Nitrile hydratase | Authors: | Ma, D, Cheng, Z.Y, Hou, X.D, Peplowski, L, Lai, Q.P, Fu, K, Yin, D.J, Rao, Y.J, Zhou, Z.M. | Deposit date: | 2021-12-08 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insight into the broadened substrate scope of nitrile hydratase by static and dynamic structure analysis. Chem Sci, 13, 2022
|
|
7W5L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w5l by Molmil](/molmil-images/mine/7w5l) | The crystal structure of the oxidized form of Gluconobacter oxydans WSH-004 SNDH | Descriptor: | L-sorbosone dehydrogenase, NAD(P) dependent | Authors: | Li, D, Hou, X.D, Rao, Y.J, Zhou, J.W, Chen, J. | Deposit date: | 2021-11-30 | Release date: | 2023-01-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insight into the Catalytic Mechanisms of an L-Sorbosone Dehydrogenase. Adv Sci, 10, 2023
|
|
7W5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w5n by Molmil](/molmil-images/mine/7w5n) | The crystal structure of the reduced form of Gluconobacter oxydans WSH-004 SNDH | Descriptor: | L-sorbosone dehydrogenase, NAD(P) dependent, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, D, Hou, X.D, Rao, Y.J, Yin, D.J, Zhou, J.W, Chen, J. | Deposit date: | 2021-11-30 | Release date: | 2023-03-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.988 Å) | Cite: | Structural Insight into the Catalytic Mechanisms of an L-Sorbosone Dehydrogenase. Adv Sci, 10, 2023
|
|
7W5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w5k by Molmil](/molmil-images/mine/7w5k) | The C296A mutant of L-sorbosone dehydrogenase (SNDH) from Gluconobacter Oxydans WSH-004 | Descriptor: | L-sorbosone dehydrogenase, NAD(P) dependent, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, D, Hou, X.D, Rao, Y.J, Zhou, J.W, Chen, J. | Deposit date: | 2021-11-30 | Release date: | 2023-03-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural Insight into the Catalytic Mechanisms of an L-Sorbosone Dehydrogenase. Adv Sci, 10, 2023
|
|
4NCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ncb by Molmil](/molmil-images/mine/4ncb) | Structure of Thermus thermophilus Argonaute bound to guide DNA and 19-mer target DNA with Mg2+ | Descriptor: | 5'-D(*TP*AP*TP*AP*CP*AP*AP*CP*C)-3', 5'-D(*TP*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', ... | Authors: | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | Deposit date: | 2013-10-24 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.189 Å) | Cite: | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4N47
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n47 by Molmil](/molmil-images/mine/4n47) | Structure of Thermus thermophilus Argonaute bound to guide DNA and 12-mer target DNA | Descriptor: | 5'-D(*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3', Argonaute, ... | Authors: | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | Deposit date: | 2013-10-08 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.823 Å) | Cite: | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4NCA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nca by Molmil](/molmil-images/mine/4nca) | Structure of Thermus thermophilus Argonaute bound to guide DNA 19-mer and target DNA in the presence of Mg2+ | Descriptor: | 5'-D(*AP*CP*AP*AP*CP*C)-3', 5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3', ... | Authors: | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | Deposit date: | 2013-10-24 | Release date: | 2014-01-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.489 Å) | Cite: | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4N41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n41 by Molmil](/molmil-images/mine/4n41) | Structure of Thermus thermophilus Argonaute bound to guide DNA and 15-mer target DNA | Descriptor: | 5'-D(*AP*AP*CP*CP*TP*AP*CP*TP*GP*CP*CP*TP*CP*G)-3', 5'-D(P*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*T*GP*TP*AP*TP*AP*GP*T)-3', ... | Authors: | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | Deposit date: | 2013-10-08 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4N76
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n76 by Molmil](/molmil-images/mine/4n76) | Structure of Thermus thermophilus Argonaute bound to guide DNA and cleaved target DNA with Mn2+ | Descriptor: | 5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3', Argonaute, ... | Authors: | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | Deposit date: | 2013-10-15 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
6IX2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ix2 by Molmil](/molmil-images/mine/6ix2) | Structure of the A214C/A250I mutant of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.48 Angstroms resolution | Descriptor: | GLYCEROL, Microsomal epoxide hyddrolase | Authors: | Hu, D, Hu, B.C, Hou, X.D, Rao, Y.J, Wu, M.C. | Deposit date: | 2018-12-09 | Release date: | 2019-12-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.478 Å) | Cite: | Structure-Guided Regulation in the Enantioselectivity of an Epoxide Hydrolase to Produce Enantiomeric Monosubstituted Epoxides and Vicinal Diols via Kinetic Resolution. Org.Lett., 24, 2022
|
|
4KPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kpy by Molmil](/molmil-images/mine/4kpy) | DNA binding protein and DNA complex structure | Descriptor: | DNA (5'-D(*TP*AP*TP*AP*CP*AP*AP*CP*C)-3'), DNA (5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3'), ... | Authors: | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | Deposit date: | 2013-05-14 | Release date: | 2014-01-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
5ZEC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zec by Molmil](/molmil-images/mine/5zec) | Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (Q136N/F161V/S196G/E214G/S237C) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOL, ... | Authors: | Wang, Y, ZHou, J.Y, Hou, X.D, Xu, G.C, Rao, Y.J, Wu, L, Zhou, J.H, Ni, Y. | Deposit date: | 2018-02-27 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.779 Å) | Cite: | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones. J. Am. Chem. Soc., 140, 2018
|
|