3SJ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sj9 by Molmil](/molmil-images/mine/3sj9) | crystal structure of the C147A mutant 3C of CVA16 in complex with FAGLRQAVTQ peptide | Descriptor: | 3C protease, FAGLRQAVTQ peptide | Authors: | Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F. | Deposit date: | 2011-06-21 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design. J.Virol., 85, 2011
|
|
3SJK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sjk by Molmil](/molmil-images/mine/3sjk) | Crystal structure of the C147A mutant 3C from enterovirus 71 | Descriptor: | 3C protease, KPVLRTATVQGPSLDF peptide | Authors: | Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F. | Deposit date: | 2011-06-21 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design. J.Virol., 85, 2011
|
|
3TI8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ti8 by Molmil](/molmil-images/mine/3ti8) | Crystal structure of influenza A virus neuraminidase N5 complexed with laninamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
|
|
3TI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ti3 by Molmil](/molmil-images/mine/3ti3) | Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with laninamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
|
|
3TI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ti4 by Molmil](/molmil-images/mine/3ti4) | Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with laninamivir octanoate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid, ACETATE ION, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
|
|
3TIC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tic by Molmil](/molmil-images/mine/3tic) | Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with zanamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
|
|
3TIA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tia by Molmil](/molmil-images/mine/3tia) | Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
|
|
3B8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3b8w by Molmil](/molmil-images/mine/3b8w) | Crystal structure of Escherichia coli alaine racemase mutant E221P | Descriptor: | Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X. | Deposit date: | 2007-11-02 | Release date: | 2008-07-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis Protein Sci., 17, 2008
|
|
3B8V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3b8v by Molmil](/molmil-images/mine/3b8v) | Crystal structure of Escherichia coli alaine racemase mutant E221K | Descriptor: | Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X. | Deposit date: | 2007-11-02 | Release date: | 2008-07-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis Protein Sci., 17, 2008
|
|
3B8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3b8t by Molmil](/molmil-images/mine/3b8t) | Crystal structure of Escherichia coli alaine racemase mutant P219A | Descriptor: | Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X. | Deposit date: | 2007-11-02 | Release date: | 2008-07-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis Protein Sci., 17, 2008
|
|
3B8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3b8u by Molmil](/molmil-images/mine/3b8u) | Crystal structure of Escherichia coli alaine racemase mutant E221A | Descriptor: | Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X. | Deposit date: | 2007-11-02 | Release date: | 2008-07-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis Protein Sci., 17, 2008
|
|
3C5Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3c5q by Molmil](/molmil-images/mine/3c5q) | Crystal structure of diaminopimelate decarboxylase (I148L mutant) from Helicobacter pylori complexed with L-lysine | Descriptor: | Diaminopimelate decarboxylase, GLYCEROL, LYSINE, ... | Authors: | Hu, T, Wu, D, Jiang, H, Shen, X. | Deposit date: | 2008-02-01 | Release date: | 2008-05-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of diaminopimelate decarboxylase from Helicobacter pylori To be Published
|
|
3CVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cva by Molmil](/molmil-images/mine/3cva) | Human Bcl-xL containing a Trp to Ala mutation at position 137 | Descriptor: | Apoptosis regulator Bcl-X | Authors: | Feng, Y, Zhang, L, Hu, T, Shen, X, Chen, K, Jiang, H, Liu, D. | Deposit date: | 2008-04-18 | Release date: | 2009-03-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A conserved hydrophobic core at Bcl-x(L) mediates its structural stability and binding affinity with BH3-domain peptide of pro-apoptotic protein Arch.Biochem.Biophys., 484, 2009
|
|
5H9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h9g by Molmil](/molmil-images/mine/5h9g) | |
5H9H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h9h by Molmil](/molmil-images/mine/5h9h) | |
5XF1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xf1 by Molmil](/molmil-images/mine/5xf1) | Structure of the Full-length glucagon class B G protein-coupled receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B. | Deposit date: | 2017-04-06 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structure of the full-length glucagon class B G-protein-coupled receptor. Nature, 546, 2017
|
|
5XEZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xez by Molmil](/molmil-images/mine/5xez) | Structure of the Full-length glucagon class B G protein-coupled receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, ... | Authors: | Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B. | Deposit date: | 2017-04-06 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the full-length glucagon class B G-protein-coupled receptor. Nature, 546, 2017
|
|
2JR8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jr8 by Molmil](/molmil-images/mine/2jr8) | Solution structure of Manduca sexta moricin | Descriptor: | Antimicrobial peptide moricin | Authors: | Gong, Y, Dai, H, Rayaprolu, S, Huang, R, Prakash, O, Jiang, H. | Deposit date: | 2007-06-21 | Release date: | 2008-03-25 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution structure, antibacterial activity, and expression profile of Manduca sexta moricin. J.Pept.Sci., 14, 2008
|
|
5YQZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yqz by Molmil](/molmil-images/mine/5yqz) | Structure of the glucagon receptor in complex with a glucagon analogue | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucagon analogue, ... | Authors: | Zhang, H, Qiao, A, Yang, L, VAN EPS, N, Frederiksen, K, Yang, D, Dai, A, Cai, X, Zhang, H, Yi, C, Can, C, He, L, Yang, H, Lau, J, Ernst, O, Hanson, M, Stevens, R, Wang, M, Seedtz-Runge, S, Jiang, H, Zhao, Q, Wu, B. | Deposit date: | 2017-11-08 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the glucagon receptor in complex with a glucagon analogue. Nature, 553, 2018
|
|
4I3K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i3k by Molmil](/molmil-images/mine/4i3k) | Crystal structure of a metabolic reductase with 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one | Descriptor: | 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | Deposit date: | 2012-11-26 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3056 Å) | Cite: | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase. ACS Med Chem Lett, 4, 2013
|
|
4GXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gxo by Molmil](/molmil-images/mine/4gxo) | Crystal structure of Staphylococcus aureus protein SarZ mutant C13E | Descriptor: | GLYCEROL, MarR family regulatory protein | Authors: | Sun, F, Ding, Y, Ji, Q, Liang, Z, Deng, X, Wong, C.C, Yi, C, Zhang, L, Xie, S, Alvarez, S, Hicks, L.M, Luo, C, Jiang, H, Lan, L, He, C. | Deposit date: | 2012-09-04 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Protein cysteine phosphorylation of SarA/MgrA family transcriptional regulators mediates bacterial virulence and antibiotic resistance. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
6LN2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ln2 by Molmil](/molmil-images/mine/6ln2) | Crystal structure of full length human GLP1 receptor in complex with Fab fragment (Fab7F38) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab7F38_heavy chain, Fab7F38_light chain, ... | Authors: | Wu, F, Yang, L, Hang, K, Laursen, M, Wu, L, Han, G.W, Ren, Q, Roed, N.K, Lin, G, Hanson, M, Jiang, H, Wang, M, Reedtz-Runge, S, Song, G, Stevens, R.C. | Deposit date: | 2019-12-28 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Full-length human GLP-1 receptor structure without orthosteric ligands. Nat Commun, 11, 2020
|
|
4I3L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i3l by Molmil](/molmil-images/mine/4i3l) | Crystal structure of a metabolic reductase with 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one | Descriptor: | 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | Deposit date: | 2012-11-26 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.292 Å) | Cite: | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase. ACS Med Chem Lett, 4, 2013
|
|
5BTR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5btr by Molmil](/molmil-images/mine/5btr) | Crystal structure of SIRT1 in complex with resveratrol and an AMC-containing peptide | Descriptor: | AMC-containing peptide, NAD-dependent protein deacetylase sirtuin-1, RESVERATROL, ... | Authors: | Cao, D, Wang, M, Qiu, X, Liu, D, Jiang, H, Yang, N, Xu, R.M. | Deposit date: | 2015-06-03 | Release date: | 2015-07-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for allosteric, substrate-dependent stimulation of SIRT1 activity by resveratrol Genes Dev., 29, 2015
|
|
4ZJB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zjb by Molmil](/molmil-images/mine/4zjb) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) in complex with holo-ACP from Helicobacter pylori | Descriptor: | 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ, 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, ... | Authors: | Zhang, L, Zhang, L, Shen, X, Jiang, H. | Deposit date: | 2015-04-29 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of FabZ-ACP complex reveals a dynamic seesaw-like catalytic mechanism of dehydratase in fatty acid biosynthesis. Cell Res., 26, 2016
|
|