6OOK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ook by Molmil](/molmil-images/mine/6ook) | CTX-M-14 Beta Lactamase with Compound 3 | Descriptor: | 3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase, PHOSPHATE ION | Authors: | Kemp, M, Chen, Y. | Deposit date: | 2019-04-23 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase. Org Chem Front, 6, 2019
|
|
6LHD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lhd by Molmil](/molmil-images/mine/6lhd) | Crystal structure of p53/BCL-xL fusion complex | Descriptor: | ZINC ION, fusion protein of Bcl-2-like protein 1 and Isoform 6 of Cellular tumor antigen p53 | Authors: | Wei, H, Chen, Y. | Deposit date: | 2019-12-07 | Release date: | 2021-03-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Structural insight into the molecular mechanism of p53-mediated mitochondrial apoptosis. Nat Commun, 12, 2021
|
|
4ERI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4eri by Molmil](/molmil-images/mine/4eri) | Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase | Descriptor: | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, MAGNESIUM ION, ZINC ION | Authors: | Huo, L, Fielding, A.J, Chen, Y, Li, T, Iwaki, H, Hosler, J.P, Chen, L, Hasegawa, Y, Que Jr, L, Liu, A. | Deposit date: | 2012-04-20 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.0006 Å) | Cite: | Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase Biochemistry, 51, 2012
|
|
6O5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o5t by Molmil](/molmil-images/mine/6o5t) | Crystal Structure of VIM-2 with Compound 16 | Descriptor: | ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ... | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2019-03-04 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
|
|
6OOJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ooj by Molmil](/molmil-images/mine/6ooj) | CTX-M-14 Beta Lactamase with Compound 14 | Descriptor: | 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase | Authors: | Kemp, M, Chen, Y. | Deposit date: | 2019-04-23 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase. Org Chem Front, 6, 2019
|
|
8F93
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f93 by Molmil](/molmil-images/mine/8f93) | WDR5 covalently modified at Y228 by (R)-2-SF | Descriptor: | 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride, CHLORIDE ION, GLYCEROL, ... | Authors: | Taunton, J, Craven, G.B, Chen, Y. | Deposit date: | 2022-11-23 | Release date: | 2023-05-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Direct mapping of ligandable tyrosines and lysines in cells with chiral sulfonyl fluoride probes. Nat.Chem., 15, 2023
|
|
1VBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vbs by Molmil](/molmil-images/mine/1vbs) | STRUCTURE OF CYCLOPHILIN COMPLEXED WITH (D)ALA CONTAINING TETRAPEPTIDE | Descriptor: | CYCLOPHILIN A, TETRAPEPTIDE | Authors: | Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H. | Deposit date: | 1998-06-16 | Release date: | 1999-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mapping the stereospecificity of peptidyl prolyl cis/trans isomerases. FEBS Lett., 432, 1998
|
|
6PK0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pk0 by Molmil](/molmil-images/mine/6pk0) | Crystal Structure of OXA-48 with Hydrolyzed Imipenem | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2019-06-28 | Release date: | 2020-01-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase. Acs Infect Dis., 6, 2020
|
|
3GX8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gx8 by Molmil](/molmil-images/mine/3gx8) | Structural and biochemical characterization of yeast monothiol glutaredoxin Grx5 | Descriptor: | Monothiol glutaredoxin-5, mitochondrial, SULFATE ION | Authors: | Wang, Y, He, Y.X, Yu, J, Xiong, Y, Chen, Y, Zhou, C.Z. | Deposit date: | 2009-04-01 | Release date: | 2010-04-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.673 Å) | Cite: | Structural and biochemical characterization of yeast monothiol glutaredoxin Grx5 To be Published
|
|
4ERG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4erg by Molmil](/molmil-images/mine/4erg) | Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase | Descriptor: | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, FE (III) ION | Authors: | Huo, L, Fielding, A.J, Chen, Y, Li, T, Iwaki, H, Hosler, J.P, Chen, L, Hasegawa, Y, Que Jr, L, Liu, A. | Deposit date: | 2012-04-20 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.789 Å) | Cite: | Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase Biochemistry, 51, 2012
|
|
8FTL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ftl by Molmil](/molmil-images/mine/8ftl) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1 | Descriptor: | 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide | Authors: | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2023-01-12 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1 To Be Published
|
|
3FDF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fdf by Molmil](/molmil-images/mine/3fdf) | Crystal structure of the serine phosphatase of RNA polymerase II CTD (SSU72 superfamily) from Drosophila melanogaster. Orthorhombic crystal form. Northeast Structural Genomics Consortium target FR253. | Descriptor: | FR253 | Authors: | Kuzin, A.P, Chen, Y, Seetharaman, J, Forouhar, F, Chinag, Y, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-11-25 | Release date: | 2009-01-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Orthorombic crystal structure of serine phosphatase of rna polymerase ii ctd from fly drosofila melanogaster. northeast structural genomics consortium target fr253. To be Published
|
|
3FMV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fmv by Molmil](/molmil-images/mine/3fmv) | Crystal structure of the serine phosphatase of RNA polymerase II CTD (SSU72 superfamily) from Drosophila melanogaster. Monoclinic crystal form. Northeast Structural Genomics Consortium target FR253. | Descriptor: | Serine phosphatase of RNA polymerase II CTD | Authors: | Kuzin, A.P, Chen, Y, Seetharaman, J, Forouhar, F, Chinag, Y, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-12-22 | Release date: | 2009-01-06 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Crystal structure of the serine phosphatase of RNA polymerase II CTD (SSU72 superfamily) from Drosophila melanogaster. Monoclinic crystal form. Northeast Structural Genomics Consortium target FR253. To be Published
|
|
3HIA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hia by Molmil](/molmil-images/mine/3hia) | Crystal structure of the choline binding domain of Spr1274 in Streptococcus pneumoniae | Descriptor: | Choline binding protein, PHOSPHOCHOLINE, SULFATE ION | Authors: | Zhang, Z.-Y, Li, W.-Z, Jiang, Y.-L, Bao, R, Zhou, C.-Z, Chen, Y.-X. | Deposit date: | 2009-05-19 | Release date: | 2009-08-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal structure of the choline binding domain of Spr1274 in Streptococcus pneumoniae To be Published
|
|
8HN6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hn6 by Molmil](/molmil-images/mine/8hn6) | Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD | Descriptor: | Heavy chain of monoclonal antibody 3G10, Light chain of monoclonal antibody 3G10, Spike protein S1 | Authors: | Qi, J, Chen, Y. | Deposit date: | 2022-12-07 | Release date: | 2023-05-17 | Last modified: | 2023-06-07 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents. Front Immunol, 14, 2023
|
|
8KGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8kgt by Molmil](/molmil-images/mine/8kgt) | |
6LBI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lbi by Molmil](/molmil-images/mine/6lbi) | |
8I5D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i5d by Molmil](/molmil-images/mine/8i5d) | Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) | Descriptor: | Beta-2-microglobulin, MHC class I antigen (Fragment), TCR alpha chain, ... | Authors: | Lu, D, Chen, Y, Jiang, M, Tan, S.G, Chai, Y, Gao, G.F. | Deposit date: | 2023-01-25 | Release date: | 2023-08-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Nat Commun, 2023
|
|
3IBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ibh by Molmil](/molmil-images/mine/3ibh) | Crystal structure of Saccharomyces cerevisiae Gtt2 in complex with glutathione | Descriptor: | GLUTATHIONE, Saccharomyces cerevisiae Gtt2 | Authors: | Ma, X.X, Jiang, Y.L, He, Y.X, Bao, R, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2009-07-15 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of yeast glutathione-S-transferase Gtt2 reveal a new catalytic type of GST family. Embo Rep., 10, 2009
|
|
7YP1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yp1 by Molmil](/molmil-images/mine/7yp1) | Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement) | Descriptor: | 10E4 heavy chain, 10E4 light chain, EBV gH, ... | Authors: | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | Deposit date: | 2022-08-02 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection. Cell Rep Med, 4, 2023
|
|
7YOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yoy by Molmil](/molmil-images/mine/7yoy) | Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement) | Descriptor: | 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ... | Authors: | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | Deposit date: | 2022-08-02 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection. Cell Rep Med, 4, 2023
|
|
7YP2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yp2 by Molmil](/molmil-images/mine/7yp2) | Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement) | Descriptor: | 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H | Authors: | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | Deposit date: | 2022-08-02 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection. Cell Rep Med, 4, 2023
|
|
3F1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f1x by Molmil](/molmil-images/mine/3f1x) | Three dimensional structure of the serine acetyltransferase from Bacteroides vulgatus, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET BVR62. | Descriptor: | Serine acetyltransferase | Authors: | Kuzin, A.P, Chen, Y, Seetharaman, J, Sahdev, S, Wang, D, Mao, L, Cunningham, K, Maglaqui, M, Xiao, R, Liu, J, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-10-28 | Release date: | 2008-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three dimensional structure of the serine acetyltransferase from Bacteroides vulgatus, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET BVR62. To be Published
|
|
6JBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jbh by Molmil](/molmil-images/mine/6jbh) | Cryo-EM structure and transport mechanism of a wall teichoic acid ABC transporter | Descriptor: | TarG, TarH | Authors: | Chen, L, Hou, W.T, Fan, T, Li, Y.H, Liu, B.H, Jiang, Y.L, Sun, L.F, Chen, Y, Zhou, C.Z. | Deposit date: | 2019-01-25 | Release date: | 2020-03-04 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.94 Å) | Cite: | Cryo-electron Microscopy Structure and Transport Mechanism of a Wall Teichoic Acid ABC Transporter. Mbio, 11, 2020
|
|
3FKB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fkb by Molmil](/molmil-images/mine/3fkb) | Structure of NDPK H122G and tenofovir-diphosphate | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Morera, S, Chen, Y.X. | Deposit date: | 2008-12-16 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Nucleoside diphosphate kinase and the activation of antiviral phosphonate analogs of nucleotides: binding mode and phosphorylation of tenofovir derivatives Nucleosides Nucleotides Nucleic Acids, 28, 2009
|
|