5XSD
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![BU of 5xsd by Molmil](/molmil-images/mine/5xsd) | XylFII-LytSN complex mutant - D103A | Descriptor: | Periplasmic binding protein/LacI transcriptional regulator, Signal transduction histidine kinase, LytS | Authors: | Li, J.X, Wang, C.Y, Zhang, P. | Deposit date: | 2017-06-13 | Release date: | 2017-08-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism of environmental d-xylose perception by a XylFII-LytS complex in bacteria Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6KZ8
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![BU of 6kz8 by Molmil](/molmil-images/mine/6kz8) | Crystal structure of plant Phospholipase D alpha complex with phosphatidic acid | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, CALCIUM ION, Phospholipase D alpha 1 | Authors: | Li, J.X, Yu, F, Zhang, P. | Deposit date: | 2019-09-23 | Release date: | 2019-11-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.291 Å) | Cite: | Crystal structure of plant PLD alpha 1 reveals catalytic and regulatory mechanisms of eukaryotic phospholipase D. Cell Res., 30, 2020
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7BHS
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![BU of 7bhs by Molmil](/molmil-images/mine/7bhs) | Crystal structure of MAT2a with quinazoline fragment 2 bound in the allosteric site | Descriptor: | 6-chloranyl-2-methoxy-4-phenyl-quinazoline, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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7BHU
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![BU of 7bhu by Molmil](/molmil-images/mine/7bhu) | Crystal structure of MAT2a with elaborated fragment 26 bound in the allosteric site | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one, S-ADENOSYLMETHIONINE, ... | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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7BHW
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![BU of 7bhw by Molmil](/molmil-images/mine/7bhw) | Crystal structure of MAT2a bound to allosteric inhibitor (compound 29) | Descriptor: | 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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7BHR
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![BU of 7bhr by Molmil](/molmil-images/mine/7bhr) | Crystal structure of MAT2a with triazinone fragment 1 bound in the allosteric site | Descriptor: | 4-(dimethylamino)-6-ethoxy-1~{H}-1,3,5-triazin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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7BHV
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![BU of 7bhv by Molmil](/molmil-images/mine/7bhv) | Crystal structure of MAT2a bound to allosteric inhibitor and in vivo tool compound 28 | Descriptor: | 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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7BHT
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![BU of 7bht by Molmil](/molmil-images/mine/7bht) | Crystal structure of MAT2a with quinazolinone fragment 5 bound in the allosteric site | Descriptor: | 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.052 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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7BHX
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![BU of 7bhx by Molmil](/molmil-images/mine/7bhx) | Crystal structure of MAT2a bound to allosteric inhibitor (compound 31) | Descriptor: | 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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3JA6
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![BU of 3ja6 by Molmil](/molmil-images/mine/3ja6) | Cryo-electron Tomography and All-atom Molecular Dynamics Simulations Reveal a Novel Kinase Conformational Switch in Bacterial Chemotaxis Signaling | Descriptor: | Chemotaxis protein CheA, Chemotaxis protein CheW, Methyl-accepting chemotaxis protein 2 | Authors: | Cassidy, C.K, Himes, B.A, Alvarez, F.J, Ma, J, Zhao, G, Perilla, J.R, Schulten, K, Zhang, P. | Deposit date: | 2015-04-21 | Release date: | 2015-12-09 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (12.7 Å) | Cite: | CryoEM and computer simulations reveal a novel kinase conformational switch in bacterial chemotaxis signaling. Elife, 4, 2015
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6KZ9
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![BU of 6kz9 by Molmil](/molmil-images/mine/6kz9) | Crystal structure of plant Phospholipase D alpha | Descriptor: | CALCIUM ION, Phospholipase D alpha 1 | Authors: | Li, J.X, Yu, F, Zhang, P. | Deposit date: | 2019-09-23 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Crystal structure of plant PLD alpha 1 reveals catalytic and regulatory mechanisms of eukaryotic phospholipase D. Cell Res., 30, 2020
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1LQG
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![BU of 1lqg by Molmil](/molmil-images/mine/1lqg) | ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE COMPLEX WITH URACIL-DNA GLYCOSYLASE INHIBITOR PROTEIN | Descriptor: | URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR | Authors: | Saikrishnan, K, Sagar, M.B, Ravishankar, R, Roy, S, Purnapatre, K, Handa, P, Varshney, U, Vijayan, M. | Deposit date: | 2002-05-10 | Release date: | 2002-11-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Domain closure and action of uracil DNA glycosylase (UDG): structures of new crystal forms containing the Escherichia coli enzyme and a comparative study of the known structures involving UDG. Acta Crystallogr.,Sect.D, 58, 2002
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3J4F
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![BU of 3j4f by Molmil](/molmil-images/mine/3j4f) | Structure of HIV-1 capsid protein by cryo-EM | Descriptor: | capsid protein | Authors: | Zhao, G, Perilla, J.R, Meng, X, Schulten, K, Zhang, P. | Deposit date: | 2013-07-11 | Release date: | 2013-07-24 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (8.6 Å) | Cite: | Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics. Nature, 497, 2013
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3J34
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![BU of 3j34 by Molmil](/molmil-images/mine/3j34) | Structure of HIV-1 Capsid Protein by Cryo-EM | Descriptor: | capsid protein | Authors: | Zhao, G, Perilla, J.R, Yufenyuy, E, Meng, X, Chen, B, Ning, J, Ahn, J, Gronenborn, A.M, Schulten, K, Aiken, C, Zhang, P. | Deposit date: | 2013-02-23 | Release date: | 2013-05-29 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (8.6 Å) | Cite: | Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics. Nature, 497, 2013
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6LZ3
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![BU of 6lz3 by Molmil](/molmil-images/mine/6lz3) | |
6LZ7
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![BU of 6lz7 by Molmil](/molmil-images/mine/6lz7) | |
5XSS
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![BU of 5xss by Molmil](/molmil-images/mine/5xss) | XylFII molecule | Descriptor: | Periplasmic binding protein/LacI transcriptional regulator, beta-D-xylopyranose | Authors: | Li, J.X, Wang, C.Y, Zhang, P. | Deposit date: | 2017-06-15 | Release date: | 2017-08-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | Molecular mechanism of environmental d-xylose perception by a XylFII-LytS complex in bacteria Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3IWP
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![BU of 3iwp by Molmil](/molmil-images/mine/3iwp) | |
3J3Y
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![BU of 3j3y by Molmil](/molmil-images/mine/3j3y) | |
5Z6P
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![BU of 5z6p by Molmil](/molmil-images/mine/5z6p) | The crystal structure of an agarase, AgWH50C | Descriptor: | B-agarase | Authors: | Mao, X, Zhou, J, Zhang, P, Zhang, L, Zhang, J, Li, Y. | Deposit date: | 2018-01-24 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.061 Å) | Cite: | Structure-based design of agarase AgWH50C from Agarivorans gilvus WH0801 to enhance thermostability. Appl. Microbiol. Biotechnol., 103, 2019
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3HFN
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![BU of 3hfn by Molmil](/molmil-images/mine/3hfn) | |
6K9L
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![BU of 6k9l by Molmil](/molmil-images/mine/6k9l) | 4.27 Angstrom resolution cryo-EM structure of human dimeric ATM kinase | Descriptor: | Serine-protein kinase ATM | Authors: | Xiao, J, Liu, M, Qi, Y, Chaban, Y, Gao, C, Tian, Y, Yu, Z, Li, J, Zhang, P, Xu, Y. | Deposit date: | 2019-06-16 | Release date: | 2019-12-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.27 Å) | Cite: | Structural insights into the activation of ATM kinase. Cell Res., 29, 2019
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6QLZ
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![BU of 6qlz by Molmil](/molmil-images/mine/6qlz) | IDOL F3ab subdomain | Descriptor: | E3 ubiquitin-protein ligase MYLIP | Authors: | Martinelli, L, Johansson, P, Wan, P.T, Gunnarsson, J, Guo, H, Boyd, H. | Deposit date: | 2019-02-01 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.343 Å) | Cite: | Structural analysis of the LDL receptor-interacting FERM domain in the E3 ubiquitin ligase IDOL reveals an obscured substrate-binding site. J.Biol.Chem., 295, 2020
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6KVL
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![BU of 6kvl by Molmil](/molmil-images/mine/6kvl) | Crystal structure of UDP-RebB-SrUGT76G1 | Descriptor: | (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE | Authors: | Li, J.X, Liu, Z.F, Wang, Y, Zhang, P. | Deposit date: | 2019-09-04 | Release date: | 2019-11-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1. Plant Commun., 1, 2020
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6KVI
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![BU of 6kvi by Molmil](/molmil-images/mine/6kvi) | Crystal structure of UDP-SrUGT76G1 | Descriptor: | UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE | Authors: | Li, J.X, Liu, Z.F, Wang, Y, Zhang, P. | Deposit date: | 2019-09-04 | Release date: | 2019-11-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1. Plant Commun., 1, 2020
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