7JR8
 
 | | H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLUTATHIONE, ... | | Authors: | Nolte, R.T, Somers, D.O, Gampe, R.T. | | Deposit date: | 2020-08-11 | | Release date: | 2021-05-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47, 2021
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7JR6
 | | H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors | | Descriptor: | 1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ... | | Authors: | Nolte, R.T, Somers, D.O, Gampe, R.T. | | Deposit date: | 2020-08-11 | | Release date: | 2021-05-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47, 2021
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4DS6
 | | Crystal structure of a group II intron in the pre-catalytic state | | Descriptor: | MAGNESIUM ION, Mutant Group IIC Intron | | Authors: | Chan, R.T, Robart, A.R, Rajashankar, K.R, Pyle, A.M, Toor, N. | | Deposit date: | 2012-02-17 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.644 Å) | | Cite: | Crystal structure of a group II intron in the pre-catalytic state.
Nat.Struct.Mol.Biol., 19, 2012
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7SJY
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3O1F
 | | P1 crystal form of E. coli ClpS at 1.4 A resolution | | Descriptor: | ATP-dependent Clp protease adapter protein clpS | | Authors: | Roman-Hernandez, G, Hou, J.Y, Grant, R.A, Sauer, R.T, Baker, T.A. | | Deposit date: | 2010-07-21 | | Release date: | 2011-07-27 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The ClpS Adaptor Mediates Staged Delivery of N-End Rule Substrates to the AAA+ ClpAP Protease.
Mol.Cell, 43, 2011
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4LVX
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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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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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5AY7
 | | A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase | | Descriptor: | xylanase | | Authors: | Zheng, Y, Li, Y, Liu, W, Guo, R.T. | | Deposit date: | 2015-08-10 | | Release date: | 2016-02-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase.
J.Struct.Biol., 193, 2016
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4M7I
 | | Crystal Structure of GSK6157 Bound to PERK (R587-R1092, delete A660-T867) at 2.34A Resolution | | Descriptor: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3 | | Authors: | Gampe, R.T, Axten, J.M. | | Deposit date: | 2013-08-12 | | Release date: | 2014-09-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Discovery of 5-{4-fluoro-1-[(6-methyl-2-pyridinyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2656157), a Potent and Selective PERK Inhibitor Selected for Preclinical Development
To be Published
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830C
 | | COLLAGENASE-3 (MMP-13) COMPLEXED TO A SULPHONE-BASED HYDROXAMIC ACID | | Descriptor: | 4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, MMP-13, ... | | Authors: | Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F. | | Deposit date: | 1998-08-06 | | Release date: | 1999-08-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
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7QPB
 | | Catalytic C-lobe of the HECT-type ubiquitin ligase E6AP in complex with a hybrid foldamer-peptide macrocycle | | Descriptor: | Isoform I of Ubiquitin-protein ligase E3A, hybrid foldamer-peptide macrocycle | | Authors: | Dengler, S, Howard, R.T, Morozov, V, Tsiamantas, C, Douat, C, Suga, H, Huc, I. | | Deposit date: | 2022-01-03 | | Release date: | 2023-09-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.342 Å) | | Cite: | Display Selection of a Hybrid Foldamer-Peptide Macrocycle.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8P1I
 | | Single particle cryo-EM co-structure of Klebsiella pneumoniae AcrB with the BDM91288 efflux pump inhibitor at 2.97 Angstrom resolution | | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), 3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline, Efflux pump membrane transporter, ... | | Authors: | Boernsen, C, Mueller, R.T, Pos, K.M, Frangakis, A.S. | | Deposit date: | 2023-05-12 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Pyridylpiperazine efflux pump inhibitor boosts in vivo antibiotic efficacy against K. pneumoniae.
Embo Mol Med, 16, 2024
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7B1O
 | | Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22 | | Descriptor: | 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide, Indoleamine 2,3-dioxygenase 1 | | Authors: | Lammens, A, Krapp, S, Lewis, R.T, Hamilton, M.M. | | Deposit date: | 2020-11-25 | | Release date: | 2021-09-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
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6LAA
 | | Crystal structure of full-length CYP116B46 from Tepidiphilus thermophilus | | Descriptor: | 1,2-ETHANEDIOL, CARBONATE ION, Cytochrome P450, ... | | Authors: | Zhang, L.L, Ko, T.P, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2019-11-12 | | Release date: | 2020-06-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
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6KQX
 | | Crystal structure of Yijc from B. subtilis in complex with UDP | | Descriptor: | URIDINE-5'-DIPHOSPHATE, Uncharacterized UDP-glucosyltransferase YjiC | | Authors: | Hu, Y.M, Dai, L.H, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2019-08-20 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Structural dissection of unnatural ginsenoside-biosynthetic UDP-glycosyltransferase Bs-YjiC from Bacillus subtilis for substrate promiscuity.
Biochem.Biophys.Res.Commun., 534, 2021
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6KQW
 | | Crystal structure of Yijc from B. subtilis | | Descriptor: | CITRIC ACID, Uncharacterized UDP-glucosyltransferase YjiC | | Authors: | Hu, Y.M, Dai, L.H, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2019-08-20 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural dissection of unnatural ginsenoside-biosynthetic UDP-glycosyltransferase Bs-YjiC from Bacillus subtilis for substrate promiscuity.
Biochem.Biophys.Res.Commun., 534, 2021
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6LDL
 | | Crystal structure of CYP116B46-N(20-445) from Tepidiphilus thermophilus in complex with HEME | | Descriptor: | BICINE, Cytochrome P450, GLYCEROL, ... | | Authors: | Zhang, L.L, Xie, Z.Z, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2019-11-21 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
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2DTN
 | | Crystal structure of Helicobacter pylori undecaprenyl pyrophosphate synthase complexed with pyrophosphate | | Descriptor: | DIPHOSPHATE, undecaprenyl pyrophosphate synthase | | Authors: | Guo, R.T, Kuo, C.J, Chen, C.L, Ko, T.P, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2006-07-13 | | Release date: | 2007-06-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Biochemical characterization, crystal structure, and inhibitors of Helicobacter pylori undecaprenyl pyrophosphate synthase
To be Published
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2EEW
 | | Guanine Riboswitch U47C mutant bound to hypoxanthine | | Descriptor: | ACETATE ION, COBALT HEXAMMINE(III), Guanine riboswitch, ... | | Authors: | Gilbert, S.D, Love, C.E, Batey, R.T. | | Deposit date: | 2007-02-19 | | Release date: | 2007-11-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Mutational analysis of the purine riboswitch aptamer domain
Biochemistry, 46, 2007
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1VWQ
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1WL2
 | | Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima R90A mutant | | Descriptor: | SULFATE ION, octoprenyl-diphosphate synthase | | Authors: | Guo, R.T, Kuo, C.J, Cheng, Y.S, Cheng, Y.L, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2004-06-18 | | Release date: | 2005-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Biochemical and Structural Basis for Octaprenyl Pyrophosphate Synthase
To be Published
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1WL1
 | | Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima H74A mutant | | Descriptor: | octoprenyl-diphosphate synthase | | Authors: | Guo, R.T, Kuo, C.J, Cheng, Y.S, Cheng, Y.L, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2004-06-18 | | Release date: | 2005-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Biochemical and Structural Basis for Octaprenyl Pyrophosphate Synthase
To be Published
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1WL0
 | | Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima R44A mutant | | Descriptor: | SULFATE ION, octoprenyl-diphosphate synthase | | Authors: | Guo, R.T, Kuo, C.J, Cheng, Y.S, Cheng, Y.L, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2004-06-18 | | Release date: | 2005-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Biochemical and Structural Basis for Octaprenyl Pyrophosphate Synthase
To be Published
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1WL3
 | | Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima R91A mutant | | Descriptor: | octoprenyl-diphosphate synthase | | Authors: | Guo, R.T, Kuo, C.J, Cheng, Y.S, Cheng, Y.L, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2004-06-18 | | Release date: | 2005-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Biochemical and Structural Basis for Octaprenyl Pyrophosphate Synthase
To be Published
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