5LC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lc0 by Molmil](/molmil-images/mine/5lc0) | Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor | Descriptor: | N-((S)-3-(4-(aminomethyl)phenyl)-1-(((R)-4-guanidino-1-(5-hydroxy-1,3,2-dioxaborinan-2-yl)butyl)amino)-1-oxopropan-2-yl)benzamide, NS2B-NS3 protease,NS2B-NS3 protease | Authors: | Lei, J, Hansen, G, Zhang, L.L, Hilgenfeld, R. | Deposit date: | 2016-06-18 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor. Science, 353, 2016
|
|
4WUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wur by Molmil](/molmil-images/mine/4wur) | |
6YXJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yxj by Molmil](/molmil-images/mine/6yxj) | |
5HOL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hol by Molmil](/molmil-images/mine/5hol) | |
5HIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hih by Molmil](/molmil-images/mine/5hih) | |
3BJV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bjv by Molmil](/molmil-images/mine/3bjv) | |
4P16
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p16 by Molmil](/molmil-images/mine/4p16) | Crystal structure of the papain-like protease of Middle-East Respiratory Syndrome coronavirus | Descriptor: | ORF1a, ZINC ION | Authors: | Lei, J, Mesters, J.R, Ma, Q, Hilgenfeld, R. | Deposit date: | 2014-02-25 | Release date: | 2014-05-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features. Antiviral Res., 109C, 2014
|
|
3CZC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3czc by Molmil](/molmil-images/mine/3czc) | |
3RK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rk6 by Molmil](/molmil-images/mine/3rk6) | |
3L8R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l8r by Molmil](/molmil-images/mine/3l8r) | The crystal structure of PtcA from S. mutans | Descriptor: | Putative PTS system, cellobiose-specific IIA component | Authors: | Lei, J, Liu, X, Li, L. | Deposit date: | 2010-01-03 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of PtcA from Streptococcus mutans To be Published
|
|
5NGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ngn by Molmil](/molmil-images/mine/5ngn) | Lybatide 2, a cystine-rich peptide from Lycium barbarum | Descriptor: | ACETONITRILE, GLYCEROL, TETRAETHYLENE GLYCOL, ... | Authors: | Lei, J, Tan, W.L, Sakai, N, Hilgenfeld, R. | Deposit date: | 2017-03-18 | Release date: | 2017-07-26 | Last modified: | 2018-04-11 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Lybatides from Lycium barbarum Contain An Unusual Cystine-stapled Helical Peptide Scaffold. Sci Rep, 7, 2017
|
|
3F7J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f7j by Molmil](/molmil-images/mine/3f7j) | B.subtilis YvgN | Descriptor: | NITRATE ION, POTASSIUM ION, YvgN protein | Authors: | Zhou, Y.F, Lei, J, Liang, Y.H, Su, X.-D. | Deposit date: | 2008-11-09 | Release date: | 2008-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical analyses of YvgN and YtbE from Bacillus subtilis Protein Sci., 18, 2009
|
|
3D3F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d3f by Molmil](/molmil-images/mine/3d3f) | |
5VKG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vkg by Molmil](/molmil-images/mine/5vkg) | Solution-state NMR structural ensemble of human Tsg101 UEV in complex with tenatoprazole | Descriptor: | 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium, Tumor susceptibility gene 101 protein | Authors: | Strickland, M, Ehrlich, L.S, Watanabe, S, Khan, M, Strub, M.-P, Luan, C.H, Powell, M.D, Leis, J, Tjandra, N, Carter, C. | Deposit date: | 2017-04-21 | Release date: | 2017-11-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Tsg101 chaperone function revealed by HIV-1 assembly inhibitors. Nat Commun, 8, 2017
|
|
1A94
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a94 by Molmil](/molmil-images/mine/1a94) | STRUCTURAL BASIS FOR SPECIFICITY OF RETROVIRAL PROTEASES | Descriptor: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE | Authors: | Wu, J, Adomat, J.M, Ridky, T.W, Louis, J.M, Leis, J, Harrison, R.W, Weber, I.T. | Deposit date: | 1998-04-16 | Release date: | 1999-01-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for specificity of retroviral proteases. Biochemistry, 37, 1998
|
|
1BAI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bai by Molmil](/molmil-images/mine/1bai) | Crystal structure of Rous sarcoma virus protease in complex with inhibitor | Descriptor: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE | Authors: | Wu, J, Adomat, J.M, Ridky, T.W, Louis, J.M, Leis, J, Harrison, R.W, Weber, I.T. | Deposit date: | 1998-04-17 | Release date: | 1999-01-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for specificity of retroviral proteases. Biochemistry, 37, 1998
|
|
4V6L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v6l by Molmil](/molmil-images/mine/4v6l) | Structural insights into cognate vs. near-cognate discrimination during decoding. | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Agirrezabala, X, Schreiner, E, Trabuco, L.G, Lei, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J. | Deposit date: | 2011-01-07 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (13.2 Å) | Cite: | Structural insights into cognate versus near-cognate discrimination during decoding. Embo J., 30, 2011
|
|
4V6K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v6k by Molmil](/molmil-images/mine/4v6k) | Structural insights into cognate vs. near-cognate discrimination during decoding. | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Agirrezabala, X, Schreiner, E, Trabuco, L.G, Lei, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J. | Deposit date: | 2011-01-07 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (8.25 Å) | Cite: | Structural insights into cognate versus near-cognate discrimination during decoding. Embo J., 30, 2011
|
|
8ILC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ilc by Molmil](/molmil-images/mine/8ilc) | |
8I30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i30 by Molmil](/molmil-images/mine/8i30) | Crystal structure of the SARS-CoV-2 main protease in complex with 32j | Descriptor: | (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2023-01-16 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease. Eur.J.Med.Chem., 259, 2023
|
|
8HFI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hfi by Molmil](/molmil-images/mine/8hfi) | Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant desipramine in an inward-open state at resolution of 2.5 angstrom. | Descriptor: | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, CHLORIDE ION, Sodium-dependent noradrenaline transporter | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-11-10 | Release date: | 2024-05-15 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition. Nature, 632, 2024
|
|
8HFG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hfg by Molmil](/molmil-images/mine/8hfg) | Cryo-EM structure of human norepinephrine transporter NET in the presence of dopamine in an inward-open state at resolution of 3.0 angstrom. | Descriptor: | CHLORIDE ION, L-DOPAMINE, Sodium-dependent noradrenaline transporter | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-11-10 | Release date: | 2024-05-15 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition. Nature, 632, 2024
|
|
8WTI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wti by Molmil](/molmil-images/mine/8wti) | Crystal structure of the SARS-CoV-2 main protease in complex with 20j | Descriptor: | 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Zeng, R, Zhao, X, Yang, S.Y, Lei, J. | Deposit date: | 2023-10-18 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of alpha-Ketoamide inhibitors of SARS-CoV-2 main protease derived from quaternized P1 groups. Bioorg.Chem., 143, 2024
|
|
8WGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wgr by Molmil](/molmil-images/mine/8wgr) | Cryo-EM structure of inward-open state human norepinephrine transporter NET bound with antidepressant desipramine in KCl condition. | Descriptor: | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2023-09-22 | Release date: | 2024-07-31 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition. Nature, 632, 2024
|
|
8WGX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wgx by Molmil](/molmil-images/mine/8wgx) | Cryo-EM structure of inward-open state human norepinephrine transporter NET bound with norepinephrine in nanodisc. | Descriptor: | L-NOREPINEPHRINE, Sodium-dependent noradrenaline transporter | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2023-09-22 | Release date: | 2024-07-31 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition. Nature, 632, 2024
|
|