3L0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l0e by Molmil](/molmil-images/mine/3l0e) | X-ray crystal structure of a Potent Liver X Receptor Modulator | Descriptor: | N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide, Nuclear receptor coactivator 2, Oxysterols receptor LXR-beta | Authors: | Gampe Jr, R.T. | Deposit date: | 2009-12-09 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of tertiary sulfonamides as potent liver X receptor antagonists. J.Med.Chem., 53, 2010
|
|
5KPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kpy by Molmil](/molmil-images/mine/5kpy) | Structure of a 5-hydroxytryptophan aptamer | Descriptor: | 5-hydroxy-L-tryptophan, 5-hydroxytryptophan RNA aptamer, IRIDIUM HEXAMMINE ION, ... | Authors: | Batey, R.T, Porter, E, Merck, M. | Deposit date: | 2016-07-05 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recurrent RNA motifs as scaffolds for genetically encodable small-molecule biosensors. Nat. Chem. Biol., 13, 2017
|
|
5JI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ji3 by Molmil](/molmil-images/mine/5ji3) | HslUV complex | Descriptor: | 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV | Authors: | Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V. | Deposit date: | 2016-04-21 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A Structurally Dynamic Region of the HslU Intermediate Domain Controls Protein Degradation and ATP Hydrolysis. Structure, 24, 2016
|
|
5JI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ji2 by Molmil](/molmil-images/mine/5ji2) | HslU L199Q in HslUV complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV, ... | Authors: | Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V. | Deposit date: | 2016-04-21 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.307 Å) | Cite: | A Structurally Dynamic Region of the HslU Intermediate Domain Controls Protein Degradation and ATP Hydrolysis. Structure, 24, 2016
|
|
5JQH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jqh by Molmil](/molmil-images/mine/5jqh) | Structure of beta2 adrenoceptor bound to carazolol and inactive-state stabilizing nanobody, Nb60 | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, CHOLESTEROL, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Staus, D.P, Strachan, R.T, Manglik, A, Pani, B, Kahsai, A.W, Kim, T.H, Wingler, L.M, Ahn, S, Chatterjee, A, Masoudi, A, Kruse, A.C, Pardon, E, Steyaert, J, Weis, W.I, Prosser, R.S, Kobilka, B.K, Costa, T, Lefkowitz, R.J. | Deposit date: | 2016-05-05 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation. Nature, 535, 2016
|
|
5IYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5iys by Molmil](/molmil-images/mine/5iys) | Crystal structure of a dehydrosqualene synthase in complex with ligand | Descriptor: | MAGNESIUM ION, Phytoene synthase, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ... | Authors: | Liu, G.Z, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2016-03-24 | Release date: | 2017-03-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of a dehydrosqualene synthase in complex with ligand to be published
|
|
2HDD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hdd by Molmil](/molmil-images/mine/2hdd) | ENGRAILED HOMEODOMAIN Q50K VARIANT DNA COMPLEX | Descriptor: | DNA (5'-D(*AP*TP*CP*CP*GP*GP*GP*GP*AP*TP*TP*AP*CP*AP*TP*GP*G P*CP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*TP*GP*CP*CP*AP*TP*GP*TP*AP*AP*TP*CP*CP*C P*CP*GP*GP*A)-3'), PROTEIN (ENGRAILED HOMEODOMAIN Q50K) | Authors: | Tucker-Kellogg, L, Rould, M.A, Chambers, K.A, Ades, S.E, Sauer, R.T, Pabo, C.O. | Deposit date: | 1998-02-10 | Release date: | 1998-05-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Engrailed (Gln50-->Lys) homeodomain-DNA complex at 1.9 A resolution: structural basis for enhanced affinity and altered specificity. Structure, 5, 1997
|
|
1U26
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1u26 by Molmil](/molmil-images/mine/1u26) | Crystal structure of Selenomonas ruminantium phytase complexed with persulfated phytate | Descriptor: | D-MYO-INOSITOL-HEXASULPHATE, myo-inositol hexaphosphate phosphohydrolase | Authors: | Chu, H.M, Guo, R.T, Lin, T.W, Chou, C.C, Shr, H.L, Lai, H.L, Tang, T.Y, Cheng, K.J, Selinger, B.L, Wang, A.H.-J. | Deposit date: | 2004-07-16 | Release date: | 2004-11-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of Selenomonas ruminantium Phytase in Complex with Persulfated Phytate; DSP Phytase Fold and Mechanism for Sequential Substrate Hydrolysis STRUCTURE, 12, 2004
|
|
1TWB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1twb by Molmil](/molmil-images/mine/1twb) | SspB disulfide crosslinked to an ssrA degradation tag | Descriptor: | Stringent starvation protein B homolog, ssrA peptide | Authors: | Bolon, D.N, Grant, R.A, Baker, T.A, Sauer, R.T. | Deposit date: | 2004-06-30 | Release date: | 2004-11-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Nucleotide-Dependent Substrate Handoff from the SspB Adaptor to the AAA+ ClpXP Protease. Mol.Cell, 16, 2004
|
|
1U9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1u9p by Molmil](/molmil-images/mine/1u9p) | Permuted single-chain Arc | Descriptor: | pArc | Authors: | Tabtiang, R.K, Cezairliyan, B.O, Grant, R.A, Cochrane, J.C, Sauer, R.T. | Deposit date: | 2004-08-10 | Release date: | 2005-02-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Consolidating critical binding determinants by noncyclic rearrangement of protein secondary structure Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
1TNT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tnt by Molmil](/molmil-images/mine/1tnt) | |
1TNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tns by Molmil](/molmil-images/mine/1tns) | |
3QZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qz0 by Molmil](/molmil-images/mine/3qz0) | Structure of Treponema denticola Factor H Binding protein (FhbB), selenomethionine derivative | Descriptor: | Factor H binding protein, GLYCEROL, THIOCYANATE ION | Authors: | Miller, D.P, McDowell, J.V, Heroux, A, Bell, J.K, Marconi, R.T, Conrad, D.H, Burgner, J.W. | Deposit date: | 2011-03-04 | Release date: | 2012-03-07 | Last modified: | 2012-06-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structure of factor H-binding protein B (FhbB) of the periopathogen, Treponema denticola: insights into progression of periodontal disease. J.Biol.Chem., 287, 2012
|
|
3R15
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r15 by Molmil](/molmil-images/mine/3r15) | Structure Treponema Denticola Factor H Binding Protein | Descriptor: | Factor H binding protein, THIOCYANATE ION | Authors: | Miller, D.P, McDowell, J.V, Burgner, J, Heroux, A, Bell, J.K, Marconi, R.T. | Deposit date: | 2011-03-09 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Structure Treponema Denticola Factor H Binding Protein To be Published
|
|
6LNH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lnh by Molmil](/molmil-images/mine/6lnh) | Crystal structure of IDO from Bacillus thuringiensis | Descriptor: | FE (III) ION, L-isoleucine-4-hydroxylase, MERCURY (II) ION | Authors: | Feng, Y, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2019-12-30 | Release date: | 2021-01-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structure of IDO from Bacillus thuringiensis to be published
|
|
6NCJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ncj by Molmil](/molmil-images/mine/6ncj) | Structure of HIV-1 Integrase with potent 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives Allosteric Site Inhibitors | Descriptor: | (2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, Integrase, ... | Authors: | Nolte, R.T. | Deposit date: | 2018-12-11 | Release date: | 2019-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives as Potent HIV-1-Integrase-Allosteric-Site Inhibitors. J. Med. Chem., 62, 2019
|
|
6UC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uc8 by Molmil](/molmil-images/mine/6uc8) | Guanine riboswitch bound to 8-aminoguanine | Descriptor: | 8-AMINOGUANINE, ACETATE ION, COBALT HEXAMMINE(III), ... | Authors: | Matyjasik, M.M, Hall, S.D, Batey, R.T. | Deposit date: | 2019-09-15 | Release date: | 2020-07-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | High Affinity Binding of N2-Modified Guanine Derivatives Significantly Disrupts the Ligand Binding Pocket of the Guanine Riboswitch. Molecules, 25, 2020
|
|
6UC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uc9 by Molmil](/molmil-images/mine/6uc9) | Guanine riboswitch bound to O6-cyclohexylmethyl guanine | Descriptor: | 6-O-CYCLOHEXYLMETHYL GUANINE, ACETATE ION, COBALT HEXAMMINE(III), ... | Authors: | Matyjasik, M.M, Batey, R.T. | Deposit date: | 2019-09-15 | Release date: | 2020-07-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.941 Å) | Cite: | High Affinity Binding of N2-Modified Guanine Derivatives Significantly Disrupts the Ligand Binding Pocket of the Guanine Riboswitch. Molecules, 25, 2020
|
|
6TL1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tl1 by Molmil](/molmil-images/mine/6tl1) | Crystal structure of the TASOR pseudo-PARP domain | Descriptor: | GLYCEROL, Protein TASOR | Authors: | Douse, C.H, Timms, R.T, Freund, S.M.V, Modis, Y. | Deposit date: | 2019-11-29 | Release date: | 2020-09-16 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | TASOR is a pseudo-PARP that directs HUSH complex assembly and epigenetic transposon control. Nat Commun, 11, 2020
|
|
6UBU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ubu by Molmil](/molmil-images/mine/6ubu) | |
6U0Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u0q by Molmil](/molmil-images/mine/6u0q) | Transthyretin in complex with (E)-5,5'-(ethene-1,2-diyl)bis(1,1-dihydroxy-3-oxo-1,3-dihydrobenzo[c][1,2]oxaborol-1-uide) | Descriptor: | 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, Transthyretin | Authors: | Windsor, I.W, Graham, B.J, Raines, R.T. | Deposit date: | 2019-08-14 | Release date: | 2021-01-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Boronic acid with high oxidative stability and utility in biological contexts. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6UC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uc7 by Molmil](/molmil-images/mine/6uc7) | Structure of guanine riboswitch bound to N2-acetyl guanine | Descriptor: | COBALT HEXAMMINE(III), N-(6-oxo-6,9-dihydro-3H-purin-2-yl)acetamide, guanine riboswitch | Authors: | Matyjasik, M.M, Batey, R.T. | Deposit date: | 2019-09-15 | Release date: | 2020-07-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | High Affinity Binding of N2-Modified Guanine Derivatives Significantly Disrupts the Ligand Binding Pocket of the Guanine Riboswitch. Molecules, 25, 2020
|
|
5CUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cux by Molmil](/molmil-images/mine/5cux) | Crystal structure of N-terminal domain truncated Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in complex with PPi | Descriptor: | Acidocalcisomal pyrophosphatase, PHOSPHATE ION, PYROPHOSPHATE 2- | Authors: | Liu, W.D, Yang, Y.Y, Ko, T.P, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2015-07-25 | Release date: | 2016-03-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of Trypanosoma cruzi protein in complex with ligand Acs Chem.Biol., 2016
|
|
5CUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cuv by Molmil](/molmil-images/mine/5cuv) | Crystal structure of Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in apo form | Descriptor: | Acidocalcisomal pyrophosphatase, D-MALATE, MAGNESIUM ION | Authors: | Ko, T.P, Yang, Y.Y, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2015-07-25 | Release date: | 2016-03-02 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Crystal structure of Trypanosoma cruzi protein in complex with ligand Acs Chem.Biol., 2016
|
|
5CUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cuw by Molmil](/molmil-images/mine/5cuw) | |