5R23
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r23 by Molmil](/molmil-images/mine/5r23) | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry F03, DMSO-free | Descriptor: | Endothiapepsin, N-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.029 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5R2F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r2f by Molmil](/molmil-images/mine/5r2f) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 02, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.119 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5R2V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r2v by Molmil](/molmil-images/mine/5r2v) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 19, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.048 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5R3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r3c by Molmil](/molmil-images/mine/5r3c) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 36, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (0.949 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5R3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r3q by Molmil](/molmil-images/mine/5r3q) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 50, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.009 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5R1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r1w by Molmil](/molmil-images/mine/5r1w) | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry C11, DMSO-free | Descriptor: | Endothiapepsin, N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.077 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5R2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r2d by Molmil](/molmil-images/mine/5r2d) | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry H11, DMSO-free | Descriptor: | 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea, Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (0.919 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5R2T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r2t by Molmil](/molmil-images/mine/5r2t) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 17, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.009 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5R3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r3b by Molmil](/molmil-images/mine/5r3b) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 35, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5R3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5r3p by Molmil](/molmil-images/mine/5r3p) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 49, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.077 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
6LXW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lxw by Molmil](/molmil-images/mine/6lxw) | Cryo-EM structure of human secretory immunoglobulin A in complex with the N-terminal domain of SpsA | Descriptor: | Immunoglobulin J chain, Interleukin-2,Immunoglobulin heavy constant alpha 1, Polymeric immunoglobulin receptor, ... | Authors: | Wang, Y, Wang, G, Li, Y, Xiao, J. | Deposit date: | 2020-02-12 | Release date: | 2020-05-27 | Last modified: | 2020-07-22 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structural insights into secretory immunoglobulin A and its interaction with a pneumococcal adhesin. Cell Res., 30, 2020
|
|
6LXK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lxk by Molmil](/molmil-images/mine/6lxk) | Crystal structure of Z2B3 D102R Fab in complex with influenza virus neuraminidase from A/Serbia/NS-601/2014 (H1N1) | Descriptor: | CALCIUM ION, Heavy chain of Z2B3-D102R Fab, Light chain of Z2B3-D102R Fab, ... | Authors: | Jiang, H, Peng, W, Qi, J, Chai, Y, Song, H, Shi, Y, Gao, G.F, Wu, Y. | Deposit date: | 2020-02-11 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.608 Å) | Cite: | Structure-Based Modification of an Anti-neuraminidase Human Antibody Restores Protection Efficacy against the Drifted Influenza Virus. Mbio, 11, 2020
|
|
6LXJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lxj by Molmil](/molmil-images/mine/6lxj) | Crystal structure of human Z2B3 Fab in complex with influenza virus neuraminidase from A/Anhui/1/2013 (H7N9) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Heavy chain of Z2B3 Fab, ... | Authors: | Jiang, H, Peng, W, Qi, J, Chai, Y, Song, H, Shi, Y, Gao, G.F, Wu, Y. | Deposit date: | 2020-02-11 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.903 Å) | Cite: | Structure-Based Modification of an Anti-neuraminidase Human Antibody Restores Protection Efficacy against the Drifted Influenza Virus. Mbio, 11, 2020
|
|
6LXI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lxi by Molmil](/molmil-images/mine/6lxi) | Crystal structure of Z2B3 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1) | Descriptor: | CALCIUM ION, Heavy chain of Z2B3 Fab, Light chain of Z2B3 Fab, ... | Authors: | Jiang, H, Peng, W, Qi, J, Chai, Y, Song, H, Shi, Y, Gao, G.F, Wu, Y. | Deposit date: | 2020-02-11 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Modification of an Anti-neuraminidase Human Antibody Restores Protection Efficacy against the Drifted Influenza Virus. Mbio, 11, 2020
|
|
6LXD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lxd by Molmil](/molmil-images/mine/6lxd) | Pri-miRNA bound DROSHA-DGCR8 complex | Descriptor: | Microprocessor complex subunit DGCR8, RNA (102-mer), Ribonuclease 3, ... | Authors: | Jin, W, Wang, J, Liu, C.P, Wang, H.W, Xu, R.M. | Deposit date: | 2020-02-10 | Release date: | 2020-04-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural Basis for pri-miRNA Recognition by Drosha. Mol.Cell, 78, 2020
|
|
6LX3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lx3 by Molmil](/molmil-images/mine/6lx3) | Cryo-EM structure of human secretory immunoglobulin A | Descriptor: | Immunoglobulin J chain, Interleukin-2,Immunoglobulin heavy constant alpha 1, Polymeric immunoglobulin receptor | Authors: | Wang, Y, Wang, G, Li, Y, Xiao, J. | Deposit date: | 2020-02-10 | Release date: | 2020-05-27 | Last modified: | 2020-07-22 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Structural insights into secretory immunoglobulin A and its interaction with a pneumococcal adhesin. Cell Res., 30, 2020
|
|
6LXE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lxe by Molmil](/molmil-images/mine/6lxe) | DROSHA-DGCR8 complex | Descriptor: | Microprocessor complex subunit DGCR8, Ribonuclease 3, ZINC ION | Authors: | Jin, W, Wang, J, Liu, C.P, Wang, H.W, Xu, R.M. | Deposit date: | 2020-02-10 | Release date: | 2020-04-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural Basis for pri-miRNA Recognition by Drosha. Mol.Cell, 78, 2020
|
|
6Y11
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y11 by Molmil](/molmil-images/mine/6y11) | Respiratory complex I from Thermus thermophilus | Descriptor: | DUF3197 domain-containing protein, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. | Deposit date: | 2020-02-10 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.109 Å) | Cite: | Key role of quinone in the mechanism of respiratory complex I. Nat Commun, 11, 2020
|
|
6VRU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vru by Molmil](/molmil-images/mine/6vru) | PIM-inhibitor complex 1 | Descriptor: | 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, ACETATE ION, IMIDAZOLE, ... | Authors: | Barberis, C.E, Batchelor, J.D, Mechin, I, Liu, J. | Deposit date: | 2020-02-10 | Release date: | 2020-11-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model. Bioorg.Med.Chem.Lett., 30, 2020
|
|
6VS4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vs4 by Molmil](/molmil-images/mine/6vs4) | |
6VRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vrv by Molmil](/molmil-images/mine/6vrv) | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model | Descriptor: | 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1 | Authors: | Barberis, C.E, Batchelor, J.D, Liu, J. | Deposit date: | 2020-02-10 | Release date: | 2020-11-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model. Bioorg.Med.Chem.Lett., 30, 2020
|
|
6Y0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y0l by Molmil](/molmil-images/mine/6y0l) | Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N, R253G, S254G mutant | Descriptor: | GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor membrane-bound form, SULFATE ION | Authors: | Ilkow, V.F, Davies, A.M, Sutton, B.J, McDonnell, J.M. | Deposit date: | 2020-02-09 | Release date: | 2021-06-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Reviving lost binding sites: Exploring calcium-binding site transitions between human and murine CD23. Febs Open Bio, 11, 2021
|
|
6Y0M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y0m by Molmil](/molmil-images/mine/6y0m) | Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N mutant | Descriptor: | Low affinity immunoglobulin epsilon Fc receptor membrane-bound form | Authors: | Ilkow, V.F, Davies, A.M, Sutton, B.J, McDonnell, J.M. | Deposit date: | 2020-02-09 | Release date: | 2021-06-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Reviving lost binding sites: Exploring calcium-binding site transitions between human and murine CD23. Febs Open Bio, 11, 2021
|
|
6LW5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lw5 by Molmil](/molmil-images/mine/6lw5) | Crystal structure of the human formyl peptide receptor 2 in complex with WKYMVm | Descriptor: | CHOLESTEROL, Soluble cytochrome b562,N-formyl peptide receptor 2, TRP-LYS-TYR-MET-VAL-QXV | Authors: | Chen, T, Zong, X, Zhang, H, Wang, M, Zhao, Q, Wu, B. | Deposit date: | 2020-02-07 | Release date: | 2020-03-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of ligand binding modes at the human formyl peptide receptor 2. Nat Commun, 11, 2020
|
|
6Y09
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y09 by Molmil](/molmil-images/mine/6y09) | |