8JBO
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![BU of 8jbo by Molmil](/molmil-images/mine/8jbo) | Crystal structure of TxGH116 from Thermoanaerobacterium xylanolyticum with isofagomine | Descriptor: | 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, CALCIUM ION, ... | Authors: | Pengthaisong, S, Ketudat Cairns, J.R. | Deposit date: | 2023-05-09 | Release date: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for inhibition of a GH116 beta-glucosidase and its missense mutants by GBA2 inhibitors: Crystallographic and quantum chemical study. Chem.Biol.Interact., 384, 2023
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7BZM
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![BU of 7bzm by Molmil](/molmil-images/mine/7bzm) | Crystal structure of rice Os3BGlu7 with glucoimidazole | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, GLUCOIMIDAZOLE, ... | Authors: | Pengthaisong, S, Ketudat Cairns, J.R, Tankrathok, A. | Deposit date: | 2020-04-28 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Specific Glucoimidazole and Mannoimidazole Binding by Os3BGlu7. Biomolecules, 10, 2020
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4QLK
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![BU of 4qlk by Molmil](/molmil-images/mine/4qlk) | Crystal structure of rice BGlu1 E176Q/Y341A mutant complexed with cellotetraose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | Authors: | Pengthaisong, S, Ketudat Cairns, J.R. | Deposit date: | 2014-06-12 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Effects of active site cleft residues on oligosaccharide binding, hydrolysis, and glycosynthase activities of rice BGlu1 and its mutants Protein Sci., 23, 2014
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4QLL
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![BU of 4qll by Molmil](/molmil-images/mine/4qll) | Crystal structure of rice BGlu1 E176Q/Y341A/Q187A mutant complexed with cellotetraose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | Authors: | Pengthaisong, S, Ketudat Cairns, J.R. | Deposit date: | 2014-06-12 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Effects of active site cleft residues on oligosaccharide binding, hydrolysis, and glycosynthase activities of rice BGlu1 and its mutants Protein Sci., 23, 2014
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4QLJ
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![BU of 4qlj by Molmil](/molmil-images/mine/4qlj) | Crystal structure of rice BGlu1 E386G/Y341A/Q187A mutant complexed with cellotetraose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | Authors: | Pengthaisong, S, Ketudat Cairns, J.R. | Deposit date: | 2014-06-12 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Effects of active site cleft residues on oligosaccharide binding, hydrolysis, and glycosynthase activities of rice BGlu1 and its mutants Protein Sci., 23, 2014
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3SCP
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![BU of 3scp by Molmil](/molmil-images/mine/3scp) | Crystal Structure of Rice BGlu1 E386A Mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, GLYCEROL, ... | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | Deposit date: | 2011-06-08 | Release date: | 2012-06-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases to be published
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3SCS
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![BU of 3scs by Molmil](/molmil-images/mine/3scs) | Crystal Structure of Rice BGlu1 E386S Mutant Complexed with alpha-Glucosyl Fluoride | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, GLYCEROL, ... | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | Deposit date: | 2011-06-08 | Release date: | 2012-06-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases to be published
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3SCN
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![BU of 3scn by Molmil](/molmil-images/mine/3scn) | Crystal Structure of Rice BGlu1 E386G Mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | Deposit date: | 2011-06-08 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases to be published
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3SCT
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![BU of 3sct by Molmil](/molmil-images/mine/3sct) | Crystal Structure of Rice BGlu1 E386G Mutant Complexed with Cellotetraose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | Deposit date: | 2011-06-08 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases to be published
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3SCR
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![BU of 3scr by Molmil](/molmil-images/mine/3scr) | Crystal Structure of Rice BGlu1 E386S Mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, GLYCEROL, ... | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | Deposit date: | 2011-06-08 | Release date: | 2012-06-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases to be published
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3SCU
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![BU of 3scu by Molmil](/molmil-images/mine/3scu) | Crystal Structure of Rice BGlu1 E386G Mutant Complexed with Cellopentaose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | Deposit date: | 2011-06-08 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases to be published
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3SCW
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![BU of 3scw by Molmil](/molmil-images/mine/3scw) | Crystal Structure of Rice BGlu1 E386G/Y341A Mutant Complexed with Cellotetraose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | Deposit date: | 2011-06-08 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases to be published
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3SCQ
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![BU of 3scq by Molmil](/molmil-images/mine/3scq) | Crystal Structure of Rice BGlu1 E386A Mutant Complexed with alpha-Glucosyl Fluoride | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | Deposit date: | 2011-06-08 | Release date: | 2012-06-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases to be published
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3SCO
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![BU of 3sco by Molmil](/molmil-images/mine/3sco) | Crystal Structure of Rice BGlu1 E386G Mutant Complexed with alpha-Glucosyl Fluoride | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, GLYCEROL, ... | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | Deposit date: | 2011-06-08 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases to be published
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3SCV
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![BU of 3scv by Molmil](/molmil-images/mine/3scv) | Crystal Structure of Rice BGlu1 E386G/S334A Mutant Complexed with Cellotetraose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | Deposit date: | 2011-06-08 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases to be published
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1HY7
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![BU of 1hy7 by Molmil](/molmil-images/mine/1hy7) | A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 | Descriptor: | CALCIUM ION, R-2-{[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-SULFONYL}-AMINO-6-METHOXY-HEX-4-YNOIC ACID, STROMELYSIN-1, ... | Authors: | Natchus, M.G, Bookland, R.G, Laufersweiler, M.J, Pikul, S, Almstead, N.G, De, B, Janusz, M.J, Hsieh, L.C, Gu, F, Pokross, M.E, Patel, V.S, Garver, S.M, Peng, S.X, Branch, T.M, King, S.L, Baker, T.R, Foltz, D.J, Mieling, G.E. | Deposit date: | 2001-01-18 | Release date: | 2002-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Development of new carboxylic acid-based MMP inhibitors derived from functionalized propargylglycines. J.Med.Chem., 44, 2001
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6AK4
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![BU of 6ak4 by Molmil](/molmil-images/mine/6ak4) | Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-30 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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6WIG
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![BU of 6wig by Molmil](/molmil-images/mine/6wig) | Structure of STENOFOLIA Protein HD domain bound with DNA | Descriptor: | DNA (5'-D(P*CP*TP*TP*GP*AP*AP*TP*AP*AP*AP*TP*CP*AP*TP*TP*AP*AP*TP*TP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*AP*AP*TP*TP*AP*AP*TP*GP*AP*TP*TP*TP*AP*TP*TP*CP*AP*AP*G)-3'), STENOFOLIA | Authors: | Deng, J, Peng, S, Pathak, P. | Deposit date: | 2020-04-09 | Release date: | 2021-08-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the unique tetrameric STENOFOLIA homeodomain bound with target promoter DNA. Acta Crystallogr D Struct Biol, 77, 2021
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6BR9
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![BU of 6br9 by Molmil](/molmil-images/mine/6br9) | Structure of A6 reveals a novel lipid transporter | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Protein A6 homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | Authors: | Deng, J, Peng, S, Pathak, P. | Deposit date: | 2017-11-30 | Release date: | 2018-06-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7LSZ
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![BU of 7lsz by Molmil](/molmil-images/mine/7lsz) | Hsp90a N-terminal inhibitor | Descriptor: | Heat shock protein HSP 90-alpha, {3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2H-isoindol-2-yl)methanone | Authors: | Balch, M, Peng, S, Deng, J, Matts, R. | Deposit date: | 2021-02-18 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Selective Inhibition of the Hsp90 alpha Isoform. Angew.Chem.Int.Ed.Engl., 60, 2021
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6BR8
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![BU of 6br8 by Molmil](/molmil-images/mine/6br8) | Structure of A6 reveals a novel lipid transporter | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Protein A6 homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | Authors: | Deng, J, Peng, S, Pathak, P. | Deposit date: | 2017-11-30 | Release date: | 2018-06-20 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7U8W
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![BU of 7u8w by Molmil](/molmil-images/mine/7u8w) | hTRAP1 with inhibitors | Descriptor: | Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone | Authors: | Deng, J, Matts, R, Peng, S. | Deposit date: | 2022-03-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.706 Å) | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes. Eur.J.Med.Chem., 258, 2023
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7U8X
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![BU of 7u8x by Molmil](/molmil-images/mine/7u8x) | hTRAP1 with inhibitors | Descriptor: | Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone | Authors: | Deng, J, Matts, R, Peng, S. | Deposit date: | 2022-03-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes. Eur.J.Med.Chem., 258, 2023
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7U8V
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![BU of 7u8v by Molmil](/molmil-images/mine/7u8v) | hTRAP1 with inhibitors | Descriptor: | (4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone], Heat shock protein 75 kDa, mitochondrial | Authors: | Deng, J, Matts, R, Peng, S. | Deposit date: | 2022-03-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.448 Å) | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes. Eur.J.Med.Chem., 258, 2023
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7U8U
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![BU of 7u8u by Molmil](/molmil-images/mine/7u8u) | hTRAP1 with inhibitors | Descriptor: | Heat shock protein 75 kDa, mitochondrial, [2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone | Authors: | Deng, J, Matts, R, Peng, S. | Deposit date: | 2022-03-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.065 Å) | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes. Eur.J.Med.Chem., 258, 2023
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