4XAH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xah by Molmil](/molmil-images/mine/4xah) | |
7AON
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aon by Molmil](/molmil-images/mine/7aon) | Crystal structure of CI2 double mutant L49I,I57V | Descriptor: | GLYCEROL, SULFATE ION, Subtilisin-chymotrypsin inhibitor-2A | Authors: | Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V. | Deposit date: | 2020-10-14 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli. Commun Biol, 4, 2021
|
|
6XIB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xib by Molmil](/molmil-images/mine/6xib) | PCSK9(deltaCRD) in complex with cyclic peptide 30 | Descriptor: | GLYCEROL, Peptide 30, Proprotein convertase subtilisin/kexin type 9 | Authors: | Orth, P. | Deposit date: | 2020-06-19 | Release date: | 2020-11-18 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.546 Å) | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design. J.Med.Chem., 63, 2020
|
|
6XIC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xic by Molmil](/molmil-images/mine/6xic) | PCSK9(deltaCRD) in complex with cyclic peptide 40 | Descriptor: | GLYCEROL, Peptide 40, Proprotein convertase subtilisin/kexin type 9 | Authors: | Orth, P. | Deposit date: | 2020-06-19 | Release date: | 2020-11-18 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.377 Å) | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design. J.Med.Chem., 63, 2020
|
|
7AOK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aok by Molmil](/molmil-images/mine/7aok) | Crystal structure of CI2 mutant L49I | Descriptor: | SULFATE ION, Subtilisin-chymotrypsin inhibitor-2A | Authors: | Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V. | Deposit date: | 2020-10-14 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli. Commun Biol, 4, 2021
|
|
6Y5M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y5m by Molmil](/molmil-images/mine/6y5m) | Crystal structure of mouse Autotaxin in complex with compound 1a | Descriptor: | (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Faller, M, Zink, F. | Deposit date: | 2020-02-25 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Development of autotaxin inhibitors: A series of tetrazole cinnamides. Bioorg.Med.Chem.Lett., 31, 2021
|
|
6XIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xie by Molmil](/molmil-images/mine/6xie) | PCSK9(deltaCRD) in complex with cyclic peptide 77 | Descriptor: | GLYCEROL, Peptide 77, Proprotein convertase subtilisin/kexin type 9 | Authors: | Orth, P. | Deposit date: | 2020-06-19 | Release date: | 2020-11-18 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design. J.Med.Chem., 63, 2020
|
|
7PSZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7psz by Molmil](/molmil-images/mine/7psz) | Crystal structure of CaM in complex with CDZ (form 1) | Descriptor: | 1-[bis(4-chlorophenyl)methyl]-3-[(2~{R})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole, CALCIUM ION, Calmodulin-1, ... | Authors: | Mechaly, A.E, Leger, C, Haouz, A, Chenal, A. | Deposit date: | 2021-09-24 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Dynamics and structural changes of calmodulin upon interaction with the antagonist calmidazolium. Bmc Biol., 20, 2022
|
|
7PU9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pu9 by Molmil](/molmil-images/mine/7pu9) | Crystal structure of CaM in complex with CDZ (form 2) | Descriptor: | 1-[bis(4-chlorophenyl)methyl]-3-[(2~{R})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole, CALCIUM ION, Calmodulin-1 | Authors: | Mechaly, A.E, Leger, C, Haouz, A, Chenal, A. | Deposit date: | 2021-09-28 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.279 Å) | Cite: | Dynamics and structural changes of calmodulin upon interaction with the antagonist calmidazolium. Bmc Biol., 20, 2022
|
|
6YNU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ynu by Molmil](/molmil-images/mine/6ynu) | CaM-P458 complex (crystal form 1) | Descriptor: | Bifunctional adenylate cyclase toxin/hemolysin CyaA, CALCIUM ION, Calmodulin-1 | Authors: | Mechaly, A.E, Voegele, A, Haouz, A, Chenal, A. | Deposit date: | 2020-04-14 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | A High-Affinity Calmodulin-Binding Site in the CyaA Toxin Translocation Domain is Essential for Invasion of Eukaryotic Cells. Adv Sci, 8, 2021
|
|
6YNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yns by Molmil](/molmil-images/mine/6yns) | CaM-P458 complex (crystal form 2) | Descriptor: | Bifunctional adenylate cyclase toxin/hemolysin CyaA, CALCIUM ION, Calmodulin-1 | Authors: | Mechaly, A.E, Voegele, A, Haouz, A, Chenal, A. | Deposit date: | 2020-04-14 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.94 Å) | Cite: | A High-Affinity Calmodulin-Binding Site in the CyaA Toxin Translocation Domain is Essential for Invasion of Eukaryotic Cells. Adv Sci, 8, 2021
|
|
4WXA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wxa by Molmil](/molmil-images/mine/4wxa) | Crystal structure of binary complex Gon7-Pcc1 | Descriptor: | ACETATE ION, EKC/KEOPS complex subunit GON7, EKC/KEOPS complex subunit PCC1, ... | Authors: | Zhang, W, van Tilbeurgh, H. | Deposit date: | 2014-11-13 | Release date: | 2015-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex. Nucleic Acids Res., 43, 2015
|
|
7A1H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a1h by Molmil](/molmil-images/mine/7a1h) | Crystal structure of wild-type CI2 | Descriptor: | SULFATE ION, Subtilisin-chymotrypsin inhibitor-2A | Authors: | Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V. | Deposit date: | 2020-08-13 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli. Commun Biol, 4, 2021
|
|
7A3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a3m by Molmil](/molmil-images/mine/7a3m) | |
6XID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xid by Molmil](/molmil-images/mine/6xid) | PCSK9(deltaCRD) in complex with cyclic peptide 51 | Descriptor: | GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9 | Authors: | Orth, P. | Deposit date: | 2020-06-19 | Release date: | 2020-11-18 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.482 Å) | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design. J.Med.Chem., 63, 2020
|
|
4WW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ww7 by Molmil](/molmil-images/mine/4ww7) | |
4WX8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wx8 by Molmil](/molmil-images/mine/4wx8) | Crystal structure of binary complex Gon7-Pcc1 | Descriptor: | ACETATE ION, EKC/KEOPS complex subunit GON7, EKC/KEOPS complex subunit PCC1 | Authors: | Zhang, W, Van Tilbeurgh, H. | Deposit date: | 2014-11-13 | Release date: | 2015-03-18 | Last modified: | 2015-04-15 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex. Nucleic Acids Res., 43, 2015
|
|
4WWA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wwa by Molmil](/molmil-images/mine/4wwa) | Crystal structure of binary complex Bud32-Cgi121 | Descriptor: | EKC/KEOPS complex subunit BUD32, EKC/KEOPS complex subunit CGI121, SULFATE ION | Authors: | Zhang, W, van Tilbeurgh, H. | Deposit date: | 2014-11-10 | Release date: | 2015-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.953 Å) | Cite: | Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex. Nucleic Acids Res., 43, 2015
|
|
6XIF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xif by Molmil](/molmil-images/mine/6xif) | PCSK9(deltaCRD) in complex with cyclic peptide 83 | Descriptor: | GLYCEROL, Peptide 83, Proprotein convertase subtilisin/kexin type 9 | Authors: | Orth, P. | Deposit date: | 2020-06-19 | Release date: | 2020-11-18 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.774 Å) | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design. J.Med.Chem., 63, 2020
|
|
5O7N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o7n by Molmil](/molmil-images/mine/5o7n) | Beta-lactamase VIM-2 in complex with (2R)-1-(2-Benzyl-3-mercaptopropanoyl)piperidine-2-carboxylic acid | Descriptor: | (2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase VIM-2, ... | Authors: | Buettner, D, Kramer, J.S, Pogoryelov, D, Proschak, E. | Deposit date: | 2017-06-09 | Release date: | 2018-06-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Challenges in the Development of a Thiol-Based Broad-Spectrum Inhibitor for Metallo-beta-Lactamases. Acs Infect Dis., 4, 2018
|
|
4ZV6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zv6 by Molmil](/molmil-images/mine/4zv6) | Crystal structure of the artificial alpharep-7 octarellinV.1 complex | Descriptor: | AlphaRep-7, Octarellin V.1 | Authors: | Figueroa, M, Sleutel, M, Urvoas, A, Valerio-Lepiniec, M, Minard, P, Martial, J.A, van de Weerdt, C. | Deposit date: | 2015-05-18 | Release date: | 2016-05-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools. J.Struct.Biol., 195, 2016
|
|
3KR3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kr3 by Molmil](/molmil-images/mine/3kr3) | Crystal structure of IGF-II antibody complex | Descriptor: | 1,2-ETHANEDIOL, Insulin-like growth factor II, antibody-Fab (heavy chain), ... | Authors: | Peat, T.S, Newman, J, Adams, T.E. | Deposit date: | 2009-11-17 | Release date: | 2010-06-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A human monoclonal antibody against insulin-like growth factor-II blocks the growth of human hepatocellular carcinoma cell lines in vitro and in vivo. Mol.Cancer Ther., 9, 2010
|
|
5LOH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5loh by Molmil](/molmil-images/mine/5loh) | Kinase domain of human Greatwall | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, STAUROSPORINE, ... | Authors: | Rajasekaran, M.B, Pearl, L.H, Oliver, A.W. | Deposit date: | 2016-08-09 | Release date: | 2016-09-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A first generation inhibitor of human Greatwall kinase, enabled by structural and functional characterisation of a minimal kinase domain construct. Oncotarget, 7, 2016
|
|
2LPR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lpr by Molmil](/molmil-images/mine/2lpr) | |
2MIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2miq by Molmil](/molmil-images/mine/2miq) | Solution NMR Structure of PHD Type 1 Zinc Finger Domain 1 of Lysine-specific Demethylase Lid from Drosophila melanogaster, Northeast Structural Genomics Consortium (NESG) Target FR824J | Descriptor: | Lysine-specific demethylase lid, ZINC ION | Authors: | Xu, X, Eletsky, A, Shastry, R, Maglaqui, M, Janjua, H, Xiao, R, Everett, J.K, Sukumaran, D.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG), Chaperone-Enabled Studies of Epigenetic Regulation Enzymes (CEBS) | Deposit date: | 2013-12-17 | Release date: | 2014-01-29 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of PHD Type 1 Zinc Finger Domain 1 from Lysine-specific Demethylase Lid from Drosophila melanogaster, Northeast Structural Genomics Consortium (NESG) Target FR824J To be Published
|
|