5DHD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dhd by Molmil](/molmil-images/mine/5dhd) | Crystal structure of ChBD2 from Thermococcus kodakarensis KOD1 | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Chitinase, SULFATE ION | Authors: | Hibi, M, Niwa, S, Takeda, K, Miki, K. | Deposit date: | 2015-08-30 | Release date: | 2016-02-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Crystal structures of chitin binding domains of chitinase from Thermococcus kodakarensis KOD1 Febs Lett., 590, 2016
|
|
8RTB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rtb by Molmil](/molmil-images/mine/8rtb) | |
5DHI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dhi by Molmil](/molmil-images/mine/5dhi) | |
2XDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xdv by Molmil](/molmil-images/mine/2xdv) | Crystal Structure of the Catalytic Domain of FLJ14393 | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, MANGANESE (II) ION, ... | Authors: | Krojer, T, Muniz, J.R.C, Ng, S.S, Pilka, E, Guo, K, Pike, A.C.W, Filippakopoulos, P, Knapp, S, Kavanagh, K.L, Gileadi, O, Bunkoczi, G, Yue, W.W, Niesen, F, Sobott, F, Fedorov, O, Savitsky, P, Kochan, G, Daniel, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U. | Deposit date: | 2010-05-07 | Release date: | 2010-05-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
|
|
8RBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rbq by Molmil](/molmil-images/mine/8rbq) | |
5DHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dhq by Molmil](/molmil-images/mine/5dhq) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | Descriptor: | 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | Deposit date: | 2015-08-31 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode. Eur.J.Med.Chem., 124, 2016
|
|
2XDX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xdx by Molmil](/molmil-images/mine/2xdx) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, O'Brien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-05-10 | Release date: | 2010-09-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. J.Med.Chem., 53, 2010
|
|
2G01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g01 by Molmil](/molmil-images/mine/2g01) | Pyrazoloquinolones as Novel, Selective JNK1 inhibitors | Descriptor: | 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE, C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2006-02-10 | Release date: | 2006-04-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Synthesis and SAR of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as novel, selective c-Jun N-terminal kinase inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
|
|
8RF3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rf3 by Molmil](/molmil-images/mine/8rf3) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7G3 refined against the anomalous diffraction data | Descriptor: | 2-(1-benzothiophen-3-yl)ethanoic acid, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | Deposit date: | 2023-12-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
|
|
8RRY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rry by Molmil](/molmil-images/mine/8rry) | Crystal structure of copper-loaded SmAA10 | Descriptor: | CBP21, CITRIC ACID, COPPER (II) ION, ... | Authors: | Munzone, A, Pujol, M, Reglier, M, Royant, A, Simaan, A.J, Decroos, C. | Deposit date: | 2024-01-24 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.45561326 Å) | Cite: | Integrated Experimental and Theoretical Investigation of Copper Active Site Properties of a Lytic Polysaccharide Monooxygenase from Serratia marcescens. Inorg.Chem., 63, 2024
|
|
2XRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xrh by Molmil](/molmil-images/mine/2xrh) | Crystal structure of the truncated form of HP0721 | Descriptor: | NICOTINIC ACID, PROTEIN HP0721 | Authors: | Cioci, G, Terradot, L, Dian, C, Muller-Dieckmann, C, Leonard, G. | Deposit date: | 2010-09-15 | Release date: | 2011-09-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Hp0721, a Novel Secreted Protein from Helicobacter Pylori. Proteins, 79, 2011
|
|
2XXP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xxp by Molmil](/molmil-images/mine/2xxp) | A widespread family of bacterial cell wall assembly proteins | Descriptor: | CPS2A, DI(HYDROXYETHYL)ETHER, MONO-TRANS, ... | Authors: | Marles-Wright, J, Kawai, Y, Emmins, R, Ishikawa, S, Kuwano, M, Heinz, N, Cleverley, R.M, Bui, N.K, Ogasawara, N, Lewis, R.J, Vollmer, W, Daniel, R.A, Errington, J. | Deposit date: | 2010-11-11 | Release date: | 2011-10-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.692 Å) | Cite: | A Widespread Family of Bacterial Cell Wall Assembly Proteins. Embo J., 30, 2011
|
|
2Y3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y3b by Molmil](/molmil-images/mine/2y3b) | Co-bound form of Cupriavidus metallidurans CH34 CnrXs | Descriptor: | COBALT (II) ION, GLYCEROL, NICKEL AND COBALT RESISTANCE PROTEIN CNRR | Authors: | Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J. | Deposit date: | 2010-12-20 | Release date: | 2011-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.554 Å) | Cite: | Structural Basis for Metal Sensing by Cnrx. J.Mol.Biol., 408, 2011
|
|
8RB8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rb8 by Molmil](/molmil-images/mine/8rb8) | |
2XUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xue by Molmil](/molmil-images/mine/2xue) | CRYSTAL STRUCTURE OF JMJD3 | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | Authors: | Chung, C, Rowland, P, Mosley, J, Thomas, P.J. | Deposit date: | 2010-10-19 | Release date: | 2011-12-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response Nature, 488, 2012
|
|
2Y5P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y5p by Molmil](/molmil-images/mine/2y5p) | |
2XTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xtx by Molmil](/molmil-images/mine/2xtx) | Structure of QnrB1 (M102R-Trypsin Treated), a plasmid-mediated fluoroquinolone resistance protein | Descriptor: | QNRB1, SULFATE ION | Authors: | Vetting, M.W, Hegde, S.S, Park, C.H, Jacoby, G.A, Hooper, D.C, Blanchard, J.S. | Deposit date: | 2010-10-12 | Release date: | 2010-10-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Qnrb1, a Plasmid-Mediated Fluoroquinolone Resistance Factor. J.Biol.Chem., 286, 2011
|
|
8RT6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rt6 by Molmil](/molmil-images/mine/8rt6) | |
2XJX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xjx by Molmil](/molmil-images/mine/2xjx) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, Onalespib | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-07-06 | Release date: | 2010-08-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
|
|
8RQ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rq6 by Molmil](/molmil-images/mine/8rq6) | |
5DGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dgy by Molmil](/molmil-images/mine/5dgy) | Crystal structure of rhodopsin bound to visual arrestin | Descriptor: | Endolysin,Rhodopsin,S-arrestin | Authors: | Zhou, X.E, Gao, X, Kang, Y, He, Y, de Waal, P.W, Suino-Powell, K.M, Wang, M, Melcher, K, Xu, H.E. | Deposit date: | 2015-08-28 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (7.7 Å) | Cite: | X-ray laser diffraction for structure determination of the rhodopsin-arrestin complex. Sci Data, 3, 2016
|
|
2Y4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y4w by Molmil](/molmil-images/mine/2y4w) | Solution structure of human ubiquitin conjugating enzyme Rad6b | Descriptor: | UBIQUITIN-CONJUGATING ENZYME E2 B | Authors: | Huang, A, Hibbert, R.G, deJong, R.N, Das, D, Sixma, T.K, Boelens, R. | Deposit date: | 2011-01-11 | Release date: | 2011-05-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Symmetry and Asymmetry of the Ring-Ring Dimer of Rad18 J.Mol.Biol., 410, 2011
|
|
2XNF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xnf by Molmil](/molmil-images/mine/2xnf) | The Mediator Med25 activator interaction domain: Structure and cooperative binding of VP16 subdomains | Descriptor: | MEDIATOR OF RNA POLYMERASE II TRANSCRIPTION SUBUNIT 25 | Authors: | Vojnic, E, Mourao, A, Seizl, M, Simon, B, Wenzeck, L, Lariviere, L, Baumli, S, Meisterernst, M, Sattler, M, Cramer, P. | Deposit date: | 2010-08-02 | Release date: | 2011-03-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and Vp16 Binding of the Mediator Med25 Activator Interaction Domain. Nat.Struct.Mol.Biol., 18, 2011
|
|
5DHK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dhk by Molmil](/molmil-images/mine/5dhk) | |
2Y9K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y9k by Molmil](/molmil-images/mine/2y9k) | |