5VLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vlp by Molmil](/molmil-images/mine/5vlp) | PCSK9 complex with LDLR antagonist peptide and Fab7G7 | Descriptor: | Fab7G7 heavy chain, Fab7G7 light chain, LDLR antagonist peptide, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2017-04-25 | Release date: | 2017-08-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists. Nat. Struct. Mol. Biol., 24, 2017
|
|
5VLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vla by Molmil](/molmil-images/mine/5vla) | Short PCSK9 delta-P' complex with Fusion2 peptide | Descriptor: | CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-MET-PRO-TRP-ASN-LEU-VAL-ARG-ILE-GLY-LEU-LEU | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2017-04-25 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists. Nat. Struct. Mol. Biol., 24, 2017
|
|
5VLH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vlh by Molmil](/molmil-images/mine/5vlh) | Short PCSK9 delta-P' complex with peptide Pep1 | Descriptor: | ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-ARG-LEU-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-PRO-CYS, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2017-04-25 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists. Nat. Struct. Mol. Biol., 24, 2017
|
|
5VLL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vll by Molmil](/molmil-images/mine/5vll) | Short PCSK9 delta-P' complex with peptide Pep3 | Descriptor: | ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-PHE-ILE-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-LEU-CYS, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2017-04-25 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists. Nat. Struct. Mol. Biol., 24, 2017
|
|
1OA8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oa8 by Molmil](/molmil-images/mine/1oa8) | |
5T18
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t18 by Molmil](/molmil-images/mine/5t18) | Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide | Descriptor: | 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, Tyrosine-protein kinase BTK | Authors: | Muckelbauer, J.K. | Deposit date: | 2016-08-18 | Release date: | 2017-03-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers. J. Med. Chem., 59, 2016
|
|
2FIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fie by Molmil](/molmil-images/mine/2fie) | |
2FHY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fhy by Molmil](/molmil-images/mine/2fhy) | |
4UFQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ufq by Molmil](/molmil-images/mine/4ufq) | Structure of a novel Hyaluronidase (Hyal_Sk) from Streptomyces koganeiensis. | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Gavira, J.A, Messina, L, Pernagallo, S, Unciti-Broceta, J.D, Conejero-Muriel, M, Diaz-Mochon, J.J, Vaccaro, S, Caruso, S, Musumeci, L, Bisicchia, S, Di Pasquale, R. | Deposit date: | 2015-03-18 | Release date: | 2016-04-13 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Identification and Characterization of a Bacterial Hyaluronidase and its Production in Recombinant Form. FEBS Lett., 590, 2016
|
|
2FIX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fix by Molmil](/molmil-images/mine/2fix) | |
6Y9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y9s by Molmil](/molmil-images/mine/6y9s) | Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16 | Descriptor: | ACETATE ION, Glycogen synthase kinase-3 beta, ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide | Authors: | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | Deposit date: | 2020-03-10 | Release date: | 2020-05-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches. Molecules, 25, 2020
|
|
6Y1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y1z by Molmil](/molmil-images/mine/6y1z) | Mouse serotonin 5HT3 receptor in complex with palonosetron | Descriptor: | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zarkadas, E, Perot, J, Nury, H. | Deposit date: | 2020-02-14 | Release date: | 2020-03-04 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | The Binding of Palonosetron and Other Antiemetic Drugs to the Serotonin 5-HT3 Receptor. Structure, 28, 2020
|
|
6Y9R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y9r by Molmil](/molmil-images/mine/6y9r) | Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2 | Descriptor: | ACETATE ION, GLYCEROL, Glycogen synthase kinase-3 beta, ... | Authors: | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | Deposit date: | 2020-03-10 | Release date: | 2020-05-20 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches. Molecules, 25, 2020
|
|
5UV6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uv6 by Molmil](/molmil-images/mine/5uv6) | Crystal structure of human Opioid Binding Protein/Cell Adhesion Molecule Like (OPCML) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Opioid-binding protein/cell adhesion molecule, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Birtley, J.R, Stern, L.J, Gabra, H, Zanini, E. | Deposit date: | 2017-02-19 | Release date: | 2018-03-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.65002 Å) | Cite: | Inactivating mutations and X-ray crystal structure of the tumor suppressor OPCML reveal cancer-associated functions. Nat Commun, 10, 2019
|
|
3F19
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f19 by Molmil](/molmil-images/mine/3f19) | |
3F16
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f16 by Molmil](/molmil-images/mine/3f16) | |
3F17
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f17 by Molmil](/molmil-images/mine/3f17) | |
3F15
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f15 by Molmil](/molmil-images/mine/3f15) | |
7C5D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c5d by Molmil](/molmil-images/mine/7c5d) | Crystal structure of TRF2 TRFH domain in complex with a MCPH1 peptide | Descriptor: | GLYCEROL, Microcephalin, Telomeric repeat-binding factor 2 | Authors: | Xiong, X, Chen, Y. | Deposit date: | 2020-05-19 | Release date: | 2020-10-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Microcephalin 1/BRIT1-TRF2 interaction promotes telomere replication and repair, linking telomere dysfunction to primary microcephaly. Nat Commun, 11, 2020
|
|
3F18
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f18 by Molmil](/molmil-images/mine/3f18) | |
6HWN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hwn by Molmil](/molmil-images/mine/6hwn) | Structure of Thermus thermophilus ClpP in complex with a tripeptide. | Descriptor: | ATP-dependent Clp protease proteolytic subunit, DI(HYDROXYETHYL)ETHER, Unknown tripeptide | Authors: | Felix, J, Schanda, P, Fraga, H, Morlot, C. | Deposit date: | 2018-10-12 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mechanism of the allosteric activation of the ClpP protease machinery by substrates and active-site inhibitors. Sci Adv, 5, 2019
|
|
6HWM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hwm by Molmil](/molmil-images/mine/6hwm) | Structure of Thermus thermophilus ClpP in complex with bortezomib | Descriptor: | ATP-dependent Clp protease proteolytic subunit, DI(HYDROXYETHYL)ETHER, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | Authors: | Felix, J, Schanda, P, Fraga, H, Morlot, C. | Deposit date: | 2018-10-12 | Release date: | 2019-09-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanism of the allosteric activation of the ClpP protease machinery by substrates and active-site inhibitors. Sci Adv, 5, 2019
|
|
3EHX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ehx by Molmil](/molmil-images/mine/3ehx) | |
3F1A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f1a by Molmil](/molmil-images/mine/3f1a) | |
3EHY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ehy by Molmil](/molmil-images/mine/3ehy) | |