4LE3
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![BU of 4le3 by Molmil](/molmil-images/mine/4le3) | Crystal structure of a GH131 beta-glucanase catalytic domain from Podospora anserina | Descriptor: | Beta-glucanase | Authors: | Jiang, T, Chan, H.C, Huang, C.H, Ko, T.P, Huang, T.Y, Liu, J.R, Guo, R.T. | Deposit date: | 2013-06-25 | Release date: | 2013-09-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of a GH131 beta-Glucanase Catalytic Domain from Podospora anserina in Complex with Cellotriose To be Published
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3J8F
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![BU of 3j8f by Molmil](/molmil-images/mine/3j8f) | Cryo-EM reconstruction of poliovirus-receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein VP1, ... | Authors: | Strauss, M, Filman, D.J, Belnap, D.M, Cheng, N, Noel, R.T, Hogle, J.M. | Deposit date: | 2014-10-20 | Release date: | 2015-02-11 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Nectin-Like Interactions between Poliovirus and Its Receptor Trigger Conformational Changes Associated with Cell Entry. J.Virol., 89, 2015
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4L81
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![BU of 4l81 by Molmil](/molmil-images/mine/4l81) | Structure of the SAM-I/IV riboswitch (env87(deltaU92, deltaG93)) | Descriptor: | COBALT HEXAMMINE(III), MAGNESIUM ION, S-ADENOSYLMETHIONINE, ... | Authors: | Trausch, J.J, Reyes, F.E, Edwards, A.L, Batey, R.T. | Deposit date: | 2013-06-15 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis for diversity in the SAM clan of riboswitches. Proc.Natl.Acad.Sci.USA, 111, 2014
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6TL1
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![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
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4M7I
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![BU of 4m7i by Molmil](/molmil-images/mine/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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3MMP
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![BU of 3mmp by Molmil](/molmil-images/mine/3mmp) | Structure of the Qb replicase, an RNA-dependent RNA polymerase consisting of viral and host proteins | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, Elongation factor Tu 2, Elongation factor Ts, ... | Authors: | Kidmose, R.T, Vasiliev, N.N, Chetverin, A.B, Knudsen, C.R, Andersen, G.R. | Deposit date: | 2010-04-20 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Qbeta replicase, an RNA-dependent RNA polymerase consisting of viral and host proteins. Proc.Natl.Acad.Sci.USA, 107, 2010
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4KPE
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![BU of 4kpe by Molmil](/molmil-images/mine/4kpe) | Novel fluoroquinolones in complex with topoisomerase IV from S. pneumoniae and E-site G-gate | Descriptor: | (7aR,8R)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid, DNA topoisomerase 4 subunit A, DNA topoisomerase 4 subunit B, ... | Authors: | Laponogov, I, Pan, X.-S, Vesekov, D.A, Cirz, R.T, Wagman, A.S, Moser, H.E, Fisher, L.M, Sanderson, M.R. | Deposit date: | 2013-05-13 | Release date: | 2014-11-26 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (3.43 Å) | Cite: | Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones. Open Biol, 6, 2016
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4KTD
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![BU of 4ktd by Molmil](/molmil-images/mine/4ktd) | Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE136, from non-human primate | Descriptor: | GE136 Heavy Chain Fab, GE136 Light Chain Fab, GLYCEROL, ... | Authors: | Poulsen, C, Tran, K, Standfield, R, Wyatt, R.T. | Deposit date: | 2013-05-20 | Release date: | 2014-02-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign. Proc.Natl.Acad.Sci.USA, 111, 2014
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3LGV
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![BU of 3lgv by Molmil](/molmil-images/mine/3lgv) | H198P mutant of the DegS-deltaPDZ protease | Descriptor: | Protease degS | Authors: | Sohn, J, Grant, R.A, Sauer, R.T. | Deposit date: | 2010-01-21 | Release date: | 2010-08-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.734 Å) | Cite: | Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution. J.Biol.Chem., 285, 2010
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3LGW
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![BU of 3lgw by Molmil](/molmil-images/mine/3lgw) | |
4KTE
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![BU of 4kte by Molmil](/molmil-images/mine/4kte) | Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE148, from non-human primate | Descriptor: | GE148 Heavy Chain Fab, GE148 Light Chain Fab, GLYCEROL, ... | Authors: | Poulsen, C, Tran, K, Stanfield, R, Wyatt, R.T. | Deposit date: | 2013-05-20 | Release date: | 2014-02-05 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign. Proc.Natl.Acad.Sci.USA, 111, 2014
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5AY7
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![BU of 5ay7 by Molmil](/molmil-images/mine/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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5CUX
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![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
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5DBG
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![BU of 5dbg by Molmil](/molmil-images/mine/5dbg) | Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NAD+ | Descriptor: | Iridoid synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Liu, W.D, Hu, Y.M, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T. | Deposit date: | 2015-08-21 | Release date: | 2015-11-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms Angew.Chem.Int.Ed.Engl., 54, 2015
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5CUV
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![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
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7Y8M
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![BU of 7y8m by Molmil](/molmil-images/mine/7y8m) | Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole | Descriptor: | 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, reductase | Authors: | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | Deposit date: | 2022-06-24 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture Acs Catalysis, 12, 2022
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7Y8O
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![BU of 7y8o by Molmil](/molmil-images/mine/7y8o) | Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole | Descriptor: | 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SciR | Authors: | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | Deposit date: | 2022-06-24 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole to be published
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5XFY
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![BU of 5xfy by Molmil](/molmil-images/mine/5xfy) | Crystal structure of a novel PET hydrolase S131A mutant from Ideonella sakaiensis 201-F6 | Descriptor: | GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2017-04-11 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural insight into catalytic mechanism of PET hydrolase Nat Commun, 8, 2017
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5XG0
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![BU of 5xg0 by Molmil](/molmil-images/mine/5xg0) | Crystal structure of a novel PET hydrolase from Ideonella sakaiensis 201-F6 | Descriptor: | Poly(ethylene terephthalate) hydrolase | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2017-04-11 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural insight into catalytic mechanism of PET hydrolase Nat Commun, 8, 2017
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5XK6
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![BU of 5xk6 by Molmil](/molmil-images/mine/5xk6) | Structure of a prenyltransferase soaked with IPP | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE 2-, SULFATE ION, ... | Authors: | Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J. | Deposit date: | 2017-05-05 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | "Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase. Angew. Chem. Int. Ed. Engl., 57, 2018
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5XFZ
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![BU of 5xfz by Molmil](/molmil-images/mine/5xfz) | Crystal structure of a novel PET hydrolase R103G/S131A mutant from Ideonella sakaiensis 201-F6 | Descriptor: | GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2017-04-11 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insight into catalytic mechanism of PET hydrolase Nat Commun, 8, 2017
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5XH2
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![BU of 5xh2 by Molmil](/molmil-images/mine/5xh2) | Crystal structure of a novel PET hydrolase R103G/S131A mutant in complex with pNP from Ideonella sakaiensis 201-F6 | Descriptor: | P-NITROPHENOL, Poly(ethylene terephthalate) hydrolase, SULFATE ION | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2017-04-19 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural insight into catalytic mechanism of PET hydrolase Nat Commun, 8, 2017
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5XK3
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![BU of 5xk3 by Molmil](/molmil-images/mine/5xk3) | Crystal structure of apo form Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 | Descriptor: | SULFATE ION, Undecaprenyl diphosphate synthase | Authors: | Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J. | Deposit date: | 2017-05-05 | Release date: | 2018-01-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | "Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase. Angew. Chem. Int. Ed. Engl., 57, 2018
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5XO8
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![BU of 5xo8 by Molmil](/molmil-images/mine/5xo8) | Crystal structure of a novel ZEN lactonase mutant with ligand Z | Descriptor: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Lactonase for protein | Authors: | Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2017-05-27 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity Acs Catalysis, 8, 2018
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5XH3
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![BU of 5xh3 by Molmil](/molmil-images/mine/5xh3) | Crystal structure of a novel PET hydrolase R103G/S131A mutant in complex with HEMT from Ideonella sakaiensis 201-F6 | Descriptor: | GLYCEROL, O 4-(2-hydroxyethyl) O 1-methyl benzene-1,4-dicarboxylate, Poly(ethylene terephthalate) hydrolase, ... | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2017-04-19 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural insight into catalytic mechanism of PET hydrolase Nat Commun, 8, 2017
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