5OEM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oem by Molmil](/molmil-images/mine/5oem) | |
5OEN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oen by Molmil](/molmil-images/mine/5oen) | Crystal Structure of STAT2 in complex with IRF9 | Descriptor: | Interferon regulatory factor 9, Signal transducer and activator of transcription | Authors: | Rengachari, S, Panne, D. | Deposit date: | 2017-07-09 | Release date: | 2018-01-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.919 Å) | Cite: | Structural basis of STAT2 recognition by IRF9 reveals molecular insights into ISGF3 function. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
5QKB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qkb by Molmil](/molmil-images/mine/5qkb) | Ground-state model of NUDT5 and corresponding apo datasets for PanDDA analysis | Descriptor: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | Deposit date: | 2018-12-07 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
|
|
3CQU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cqu by Molmil](/molmil-images/mine/3cqu) | Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor | Descriptor: | Glycogen synthase kinase-3 beta, N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, RAC-alpha serine/threonine-protein kinase | Authors: | Pandit, J. | Deposit date: | 2008-04-03 | Release date: | 2008-05-27 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis and structure based optimization of novel Akt inhibitors Bioorg.Med.Chem.Lett., 18, 2008
|
|
7SN0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sn0 by Molmil](/molmil-images/mine/7sn0) | Crystal structure of spike protein receptor binding domain of escape mutant SARS-CoV-2 from immunocompromised patient (d146*) in complex with human receptor ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-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, ... | Authors: | Pan, J, Abraham, J, Clark, S. | Deposit date: | 2021-10-27 | Release date: | 2021-12-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain. Science, 375, 2022
|
|
7SN1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sn1 by Molmil](/molmil-images/mine/7sn1) | |
7SN3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sn3 by Molmil](/molmil-images/mine/7sn3) | Structure of human SARS-CoV-2 spike glycoprotein trimer bound by neutralizing antibody C1C-A3 Fab (variable region) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pan, J, Abraham, J, Shankar, S. | Deposit date: | 2021-10-27 | Release date: | 2021-12-08 | Last modified: | 2022-02-02 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain. Science, 375, 2022
|
|
7SN2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sn2 by Molmil](/molmil-images/mine/7sn2) | Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pan, J, Abraham, J, Yang, P, Shankar, S. | Deposit date: | 2021-10-27 | Release date: | 2021-12-08 | Last modified: | 2022-02-02 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain. Science, 375, 2022
|
|
8Y66
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y66 by Molmil](/molmil-images/mine/8y66) | Cryo-EM structure of human urate transporter GLUT9 bound to inhibitor apigenin | Descriptor: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Solute carrier family 2, facilitated glucose transporter member 9 | Authors: | Pan, X.J, Shen, Z.L, Xu, L, Huang, G.X.Y. | Deposit date: | 2024-02-01 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structural basis for urate recognition and apigenin inhibition of human GLUT9. Nat Commun, 15, 2024
|
|
8Y65
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y65 by Molmil](/molmil-images/mine/8y65) | Cryo-EM structure of human urate transporter GLUT9 bound to substrate urate | Descriptor: | Solute carrier family 2, facilitated glucose transporter member 9, URIC ACID | Authors: | Pan, X.J, Shen, Z.L, Xu, L, Huang, G.X.Y. | Deposit date: | 2024-02-01 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.51 Å) | Cite: | Structural basis for urate recognition and apigenin inhibition of human GLUT9. Nat Commun, 15, 2024
|
|
2L7T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2l7t by Molmil](/molmil-images/mine/2l7t) | |
2LSR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lsr by Molmil](/molmil-images/mine/2lsr) | Solution structure of harmonin N terminal domain in complex with a exon68 encoded peptide of cadherin23 | Descriptor: | Harmonin, peptide from Cadherin-23 | Authors: | Pan, L, Wu, L, Zhang, C, Zhang, M. | Deposit date: | 2012-05-04 | Release date: | 2012-08-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Large protein assemblies formed by multivalent interactions between cadherin23 and harmonin suggest a stable anchorage structure at the tip link of stereocilia. J.Biol.Chem., 287, 2012
|
|
3TOE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3toe by Molmil](/molmil-images/mine/3toe) | Structure of Mth10b | Descriptor: | DNA/RNA-binding protein Alba | Authors: | Pan, X.M, Zhang, N, Liu, Y.F, Liu, X. | Deposit date: | 2011-09-05 | Release date: | 2012-04-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Molecular mechanism underlying the interaction of typical Sac10b family proteins with DNA. Plos One, 7, 2012
|
|
7WJS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wjs by Molmil](/molmil-images/mine/7wjs) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157 | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-07 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
|
|
7WKY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wky by Molmil](/molmil-images/mine/7wky) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153 | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-12 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
|
|
6VU2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vu2 by Molmil](/molmil-images/mine/6vu2) | M1214_N1 Fab structure | Descriptor: | M1214 N1 Fab heavy chain, M1214 N1 Fab light chain | Authors: | Pan, R, Kong, X. | Deposit date: | 2020-02-14 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | VSV-Displayed HIV-1 Envelope Identifies Broadly Neutralizing Antibodies Class-Switched to IgG and IgA. Cell Host Microbe, 27, 2020
|
|
4I6H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i6h by Molmil](/molmil-images/mine/4i6h) | |
4I6B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i6b by Molmil](/molmil-images/mine/4i6b) | |
4I6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i6f by Molmil](/molmil-images/mine/4i6f) | |
7WLN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wln by Molmil](/molmil-images/mine/7wln) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153 | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-13 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
|
|
7WMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wmq by Molmil](/molmil-images/mine/7wmq) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-16 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
|
|
7KFX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kfx by Molmil](/molmil-images/mine/7kfx) | Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-C2 Fab) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, heavy chain of human antibody C1A-C2 Fab, ... | Authors: | Pan, J, Abraham, J, Clark, L, Clark, S. | Deposit date: | 2020-10-15 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. Biorxiv, 2020
|
|
2LHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lhp by Molmil](/molmil-images/mine/2lhp) | |
4MNQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mnq by Molmil](/molmil-images/mine/4mnq) | TCR-peptide specificity overrides affinity enhancing TCR-MHC interactions | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Sewell, A.K, Jakobsen, B.K. | Deposit date: | 2013-09-11 | Release date: | 2013-11-13 | Last modified: | 2017-08-02 | Method: | X-RAY DIFFRACTION (2.742 Å) | Cite: | T-cell receptor (TCR)-peptide specificity overrides affinity-enhancing TCR-major histocompatibility complex interactions. J.Biol.Chem., 289, 2014
|
|
3IVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ivh by Molmil](/molmil-images/mine/3ivh) | |