4AXM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4axm by Molmil](/molmil-images/mine/4axm) | TRIAZINE CATHEPSIN INHIBITOR COMPLEX | Descriptor: | 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide, CATHEPSIN L1, GLYCEROL | Authors: | Ehmke, V, Diederich, F, Banner, D.W, Benz, J. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Optimization of Triazine Nitriles as Rhodesain Inhibitors: Structure-Activity Relationships, Bioisosteric Imidazopyridine Nitriles, and X-Ray Crystal Structure Analysis with Human Cathepsin L Chemmedchem, 8, 2013
|
|
6V7G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v7g by Molmil](/molmil-images/mine/6v7g) | |
1I7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i7a by Molmil](/molmil-images/mine/1i7a) | EVH1 DOMAIN FROM MURINE HOMER 2B/VESL 2 | Descriptor: | CITRATE ANION, HOMER 2B, PHE-ALA-PHE, ... | Authors: | Barzik, M, Carl, U.D, Schubert, W.-D, Wehland, J, Heinz, D.W. | Deposit date: | 2001-03-08 | Release date: | 2001-08-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | The N-terminal domain of Homer/Vesl is a new class II EVH1 domain. J.Mol.Biol., 309, 2001
|
|
2MAS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mas by Molmil](/molmil-images/mine/2mas) | PURINE NUCLEOSIDE HYDROLASE WITH A TRANSITION STATE INHIBITOR | Descriptor: | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL, CALCIUM ION, INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE | Authors: | Degano, M, Schramm, V.L, Sacchettini, J.C. | Deposit date: | 1996-10-17 | Release date: | 1997-08-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Trypanosomal nucleoside hydrolase. A novel mechanism from the structure with a transition-state inhibitor. Biochemistry, 37, 1998
|
|
4OMK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4omk by Molmil](/molmil-images/mine/4omk) | Crystal structure of SPF bound to squalene | Descriptor: | (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene, CHLORIDE ION, ISOPROPYL ALCOHOL, ... | Authors: | Christen, M, Marcaida, M.J, Lamprakis, C, Cascella, M, Stocker, A. | Deposit date: | 2014-01-27 | Release date: | 2015-04-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights on cholesterol endosynthesis: Binding of squalene and 2,3-oxidosqualene to supernatant protein factor. J.Struct.Biol., 190, 2015
|
|
4LTW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ltw by Molmil](/molmil-images/mine/4ltw) | Ancestral Ketosteroid Receptor-Progesterone-Mifepristone Complex | Descriptor: | 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, Ancestral Steroid Receptor 2, GLYCEROL, ... | Authors: | Ortlund, E.A, Colucci, J.K. | Deposit date: | 2013-07-24 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.045 Å) | Cite: | X-ray crystal structure of the ancestral 3-ketosteroid receptor-progesterone-mifepristone complex shows mifepristone bound at the coactivator binding interface. Plos One, 8, 2013
|
|
6V5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v5t by Molmil](/molmil-images/mine/6v5t) | |
6V64
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v64 by Molmil](/molmil-images/mine/6v64) | Crystal structure of human thrombin bound to ppack with tryptophans replaced by 5-F-tryptophan | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, Thrombin heavy chain, ... | Authors: | Ruben, E.A, Chen, Z, Di Cera, E. | Deposit date: | 2019-12-04 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | 19F NMR reveals the conformational properties of free thrombin and its zymogen precursor prethrombin-2. J.Biol.Chem., 295, 2020
|
|
2UZ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2uz6 by Molmil](/molmil-images/mine/2uz6) | AChBP-targeted a-conotoxin correlates distinct binding orientations with nAChR subtype selectivity. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-CONOTOXIN TXIA(A10L), GLYCEROL, ... | Authors: | Ulens, C, Dutertre, S, Buttner, R, Fish, A, van Elk, R, Kendel, Y, Hopping, G, Alewood, P.F, Schroeder, C, Nicke, A, Smit, A.B, Sixma, T.K, Lewis, R.J. | Deposit date: | 2007-04-25 | Release date: | 2007-08-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Achbp-Targeted Alpha-Conotoxin Correlates Distinct Binding Orientations with Nachr Subtype Selectivity Embo J., 26, 2007
|
|
5N1Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n1q by Molmil](/molmil-images/mine/5n1q) | METHYL-COENZYME M REDUCTASE III FROM METHANOTHERMOCOCCUS THERMOLITHOTROPHICUS AT 1.9 A RESOLUTION | Descriptor: | 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ... | Authors: | Wagner, T, Wegner, C.E, Ermler, U, Shima, S. | Deposit date: | 2017-02-06 | Release date: | 2017-06-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales. J.Bacteriol., 199, 2017
|
|
2UYD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2uyd by Molmil](/molmil-images/mine/2uyd) | Crystal structure of the SmHasA mutant H83A | Descriptor: | ACETATE ION, HEMOPHORE HASA, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Czjzek, M, Caillet-Saguy, C, Fournelle, A, Guigliarelli, B, Izadi-Pruneyre, N, Lecroisey, A. | Deposit date: | 2007-04-04 | Release date: | 2007-12-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Deciphering the Structural Role of Histidine 83 for Heme Binding in Hemophore Hasa. J.Biol.Chem., 283, 2008
|
|
3KPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kpz by Molmil](/molmil-images/mine/3kpz) | Crystal structure of a novel vitamin D3 analogue, ZK203278 showing dissociated profile | Descriptor: | (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,5S)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol, Vitamin D3 receptor | Authors: | Rochel, N, Moras, D. | Deposit date: | 2009-11-17 | Release date: | 2011-10-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a vitamin D3 analog, ZK203278, showing dissociated profile. Anticancer Res., 32, 2012
|
|
8TFL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tfl by Molmil](/molmil-images/mine/8tfl) | Ricin in complex with Fab SylH3 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, NONAETHYLENE GLYCOL, ... | Authors: | Rudolph, M.J, Mantis, N. | Deposit date: | 2023-07-11 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structural Basis of Antibody-Mediated Inhibition of Ricin Toxin Attachment to Host Cells. Biochemistry, 62, 2023
|
|
3MP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mp3 by Molmil](/molmil-images/mine/3mp3) | Crystal Structure of Human Lyase in complex with inhibitor HG-CoA | Descriptor: | (3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide, 3-HYDROXYPENTANEDIOIC ACID, Hydroxymethylglutaryl-CoA lyase, ... | Authors: | Fu, Z, Runquist, J.A, Montgomery, C, Miziorko, H.M, Kim, J.-J.P. | Deposit date: | 2010-04-24 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Functional insights into human HMG-CoA lyase from structures of Acyl-CoA-containing ternary complexes. J.Biol.Chem., 285, 2010
|
|
8TFH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tfh by Molmil](/molmil-images/mine/8tfh) | Ricin in complex with Fab JB4 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, JB4 monoclonal antibody heavy chain, ... | Authors: | Rudolph, M.J, Mantis, N. | Deposit date: | 2023-07-11 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Structural Basis of Antibody-Mediated Inhibition of Ricin Toxin Attachment to Host Cells. Biochemistry, 62, 2023
|
|
2XZ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xz6 by Molmil](/molmil-images/mine/2xz6) | MTSET-modified Y53C mutant of Aplysia AChBP | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Brams, M, Gay, E.A, Colon Saez, J, Guskov, A, Van Elk, R, Van Der Schors, R.C, Peigneur, S, Tytgat, J, Strelkov, S.V, Smit, A.B, Yakel, J.L, Ulens, C. | Deposit date: | 2010-11-23 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.137 Å) | Cite: | Crystal Structures of a Cysteine-Modified Mutant in Loop D of Acetylcholine Binding Protein J.Biol.Chem., 286, 2011
|
|
3V6B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v6b by Molmil](/molmil-images/mine/3v6b) | VEGFR-2/VEGF-E complex structure | Descriptor: | VEGF-E, Vascular endothelial growth factor receptor 2 | Authors: | Brozzo, M.S, Leppanen, V.-M, Winkler, F.K, Kisko, K, Ballmer-Hofer, K. | Deposit date: | 2011-12-19 | Release date: | 2012-01-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.205 Å) | Cite: | Thermodynamic and structural description of allosterically regulated VEGFR-2 dimerization. Blood, 119, 2012
|
|
7P2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p2d by Molmil](/molmil-images/mine/7p2d) | Structure of alphaMbeta2/Cd11bCD18 headpiece in complex with a nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Jensen, R.K, Andersen, G.R. | Deposit date: | 2021-07-05 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into the function-modulating effects of nanobody binding to the integrin receptor alpha M beta 2. J.Biol.Chem., 298, 2022
|
|
8FFW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ffw by Molmil](/molmil-images/mine/8ffw) | Cryo-EM structure of the GR-Hsp90-FKBP51 complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ... | Authors: | Noddings, C.M, Agard, D.A. | Deposit date: | 2022-12-10 | Release date: | 2023-11-01 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Cryo-EM reveals how Hsp90 and FKBP immunophilins co-regulate the glucocorticoid receptor. Nat.Struct.Mol.Biol., 30, 2023
|
|
8U57
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u57 by Molmil](/molmil-images/mine/8u57) | PPARg LBD in complex with perfluorooctanoic acid (PFOA) | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peroxisome proliferator-activated receptor gamma, pentadecafluorooctanoic acid | Authors: | Pederick, J.L, Frkic, R.L, McDougal, D.P, Bruning, J.B. | Deposit date: | 2023-09-12 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A structural basis for the activation of peroxisome proliferator-activated receptor gamma (PPAR gamma ) by perfluorooctanoic acid (PFOA). Chemosphere, 354, 2024
|
|
6FFF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fff by Molmil](/molmil-images/mine/6fff) | Human BRD2 C-terminal bromodomain with (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide | Descriptor: | (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Chung, C. | Deposit date: | 2018-01-07 | Release date: | 2019-01-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain. J.Med.Chem., 61, 2018
|
|
8FFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ffv by Molmil](/molmil-images/mine/8ffv) | Cryo-EM structure of the GR-Hsp90-FKBP52 complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ... | Authors: | Noddings, C.M, Agard, D.A. | Deposit date: | 2022-12-10 | Release date: | 2023-11-01 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Cryo-EM reveals how Hsp90 and FKBP immunophilins co-regulate the glucocorticoid receptor. Nat.Struct.Mol.Biol., 30, 2023
|
|
2IA8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ia8 by Molmil](/molmil-images/mine/2ia8) | Kinetic and Crystallographic Studies of a Redesigned Manganese-Binding Site in Cytochrome c Peroxidase | Descriptor: | Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pfister, T, Mirarefi, A.Y, Gengenbach, A.J, Zhao, X, Conaster, C.D.N, Gao, Y.G, Robinson, H, Zukoski, C.F, Wang, A.H.J, Lu, Y. | Deposit date: | 2006-09-07 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Kinetic and crystallographic studies of a redesigned manganese-binding site in cytochrome c peroxidase J.Biol.Inorg.Chem., 12, 2007
|
|
8QOI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qoi by Molmil](/molmil-images/mine/8qoi) | Structure of the human 80S ribosome at 1.9 A resolution - the molecular role of chemical modifications and ions in RNA | Descriptor: | 18S rRNA (1740-MER), 28S rRNA (3773-MER), 40S ribosomal protein S10, ... | Authors: | Holvec, S, Barchet, C, Frechin, L, Hazemann, I, von Loeffelholz, O, Klaholz, B.P. | Deposit date: | 2023-09-29 | Release date: | 2024-06-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | The structure of the human 80S ribosome at 1.9 angstrom resolution reveals the molecular role of chemical modifications and ions in RNA. Nat.Struct.Mol.Biol., 2024
|
|
3MP4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mp4 by Molmil](/molmil-images/mine/3mp4) | Crystal structure of Human lyase R41M mutant | Descriptor: | Hydroxymethylglutaryl-CoA lyase | Authors: | Fu, Z, Runquist, J.A, Montgomery, C, Miziorko, H.M, Kim, J.-J.P. | Deposit date: | 2010-04-24 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Functional insights into human HMG-CoA lyase from structures of Acyl-CoA-containing ternary complexes. J.Biol.Chem., 285, 2010
|
|