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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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1TNT
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1TNS
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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
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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
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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
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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
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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
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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
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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
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6UBU
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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
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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
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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
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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
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5CUW
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