6IH6
 
 | | Phosphite Dehydrogenase mutant I151R/P176R/M207A from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine dinucleotide | | Descriptor: | Phosphite dehydrogenase, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Song, X, Feng, Y, Liu, Y, Zhao, Z. | | Deposit date: | 2018-09-28 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.491 Å) | | Cite: | Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
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8IJC
 | | NMR solution structure of the 1:1 complex of a platinum(II) ligand L1-transpt covalently bound to a G-quadruplex MYT1L | | Descriptor: | G-quadruplex DNA MYT1L, Pt(NH3)2(2-(pyridin-4-ylmethyl)benzo-[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) | | Authors: | Liu, L.-Y, Mao, Z.-W. | | Deposit date: | 2023-02-27 | | Release date: | 2023-06-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Organic-Platinum Hybrids for Covalent Binding of G-Quadruplexes: Structural Basis and Application to Cancer Immunotherapy.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7W66
 | | Crystal structure of a PSH1 mutant in complex with ligand | | Descriptor: | PSH1, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate | | Authors: | Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D. | | Deposit date: | 2021-12-01 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
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7W6C
 | | Crystal structure of a PSH1 in complex with ligand J1K | | Descriptor: | 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1 | | Authors: | Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D. | | Deposit date: | 2021-12-01 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
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7W69
 | | Crystal structure of a PSH1 mutant in complex with EDO | | Descriptor: | 1,2-ETHANEDIOL, PSH1 | | Authors: | Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D. | | Deposit date: | 2021-12-01 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
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7W6O
 | | Crystal structure of a PSH1 in complex with J1K | | Descriptor: | 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1 | | Authors: | Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D. | | Deposit date: | 2021-12-02 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
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7W6Q
 | | Crystal structure of a PSH1 in complex with ligand J1K | | Descriptor: | 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1 | | Authors: | Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D. | | Deposit date: | 2021-12-02 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
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5DGY
 | | Crystal structure of rhodopsin bound to visual arrestin | | Descriptor: | Endolysin,Rhodopsin,S-arrestin | | Authors: | Zhou, X.E, Gao, X, Kang, Y, He, Y, de Waal, P.W, Suino-Powell, K.M, Wang, M, Melcher, K, Xu, H.E. | | Deposit date: | 2015-08-28 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (7.7 Å) | | Cite: | X-ray laser diffraction for structure determination of the rhodopsin-arrestin complex.
Sci Data, 3, 2016
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7K0V
 | | Crystal structure of bRaf in complex with inhibitor GNE-0749 | | Descriptor: | CHLORIDE ION, N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea, Non-specific serine/threonine protein kinase | | Authors: | Yin, J, Eigenbrot, C.E, Wang, W. | | Deposit date: | 2020-09-06 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
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4Y0K
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5B02
 | | Structure of the prenyltransferase MoeN5 with a fusion protein tag of Sso7d | | Descriptor: | MoeN5,DNA-binding protein 7d | | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. | | Deposit date: | 2015-10-27 | | Release date: | 2016-03-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5B0I
 | | Structure of MoeN5-Sso7d fusion protein in complex with beta-octyl glucoside | | Descriptor: | MoeN5,DNA-binding protein 7d, octyl beta-D-glucopyranoside | | Authors: | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. | | Deposit date: | 2015-10-30 | | Release date: | 2016-03-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
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7Y8N
 | | Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole | | Descriptor: | 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole, Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase, ... | | 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: | 2023-05-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture
Acs Catalysis, 12, 2022
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7Y8K
 | | Structure of ScIRED wild-type from Streptomyces clavuligerus | | Descriptor: | Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase | | 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: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture
Acs Catalysis, 12, 2022
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6IQD
 | | Crystal structure of Alcohol dehydrogenase from Geobacillus stearothermophilus | | Descriptor: | Alcohol dehydrogenase, ZINC ION | | Authors: | Xue, S, Feng, Y, Guo, X, Zhao, Z. | | Deposit date: | 2018-11-07 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Characterization of the substrate scope of an alcohol dehydrogenase commonly used as methanol dehydrogenase.
Bioorg.Med.Chem.Lett., 29, 2019
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8I0C
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | | Deposit date: | 2023-01-10 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
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6JX1
 | | Crystal structure of Formate dehydrogenase mutant V198I/C256I/P260S/E261P/S381N/S383F from Pseudomonas sp. 101 | | Descriptor: | Formate dehydrogenase, GLYCEROL | | Authors: | Feng, Y, Xue, S, Guo, X, Zhao, Z. | | Deposit date: | 2019-04-21 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.233 Å) | | Cite: | Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor.
Chemistry, 26, 2020
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6JUK
 | | Crystal structure of Formate dehydrogenase mutant C256I/E261P/S381I from Pseudomonas sp. 101 in complex with non-natural cofactor Nicotinamide Cytosine Dinucleotide | | Descriptor: | Formate dehydrogenase, GLYCEROL, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Feng, Y, Xue, S, Guo, X, Zhao, Z. | | Deposit date: | 2019-04-14 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.293 Å) | | Cite: | Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor.
Chemistry, 26, 2020
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8WVD
 | | Crystal structure of Glycosyltransferase in complex with UD1 | | Descriptor: | Glycosyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | | Authors: | Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X. | | Deposit date: | 2023-10-23 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Enzymatic Synthesis of Novel Terpenoid Glycoside Derivatives Decorated with N -Acetylglucosamine Catalyzed by UGT74AC1.
J.Agric.Food Chem., 72, 2024
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6JWG
 | | Crystal structure of Formate dehydrogenase mutant C256I/E261P/S381I from Pseudomonas sp. 101 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Formate dehydrogenase, GLYCEROL | | Authors: | Feng, Y, Guo, X, Xue, S, Zhao, Z. | | Deposit date: | 2019-04-20 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.081 Å) | | Cite: | Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor.
Chemistry, 26, 2020
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6JUJ
 | | Crystal structure of Formate dehydrogenase mutant V198I/C256I/P260S/E261P/S381N/S383F from Pseudomonas sp. 101in complex with non-natural cofactor Nicotinamide Cytosine Dinucleotide | | Descriptor: | Formate dehydrogenase, GLYCEROL, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Feng, Y, Guo, X, Xue, S, Zhao, Z. | | Deposit date: | 2019-04-14 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.183 Å) | | Cite: | Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor.
Chemistry, 26, 2020
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5UCJ
 | | Hsp90b N-terminal domain with inhibitors | | Descriptor: | (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-beta | | Authors: | Peng, S, Balch, M, Matts, R, Deng, J. | | Deposit date: | 2016-12-22 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.693 Å) | | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
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5UCI
 | | Hsp90b N-terminal domain with inhibitors | | Descriptor: | (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Peng, S, Balch, M, Matts, R, Deng, J. | | Deposit date: | 2016-12-22 | | Release date: | 2018-01-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
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5UCH
 | | Hsp90b N-terminal domain with inhibitors | | Descriptor: | 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Peng, S, Balch, M, Matts, R, Deng, J. | | Deposit date: | 2016-12-22 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.654 Å) | | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
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7W1N
 | | Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KRP | | Descriptor: | 1,2-ETHANEDIOL, BICINE, Leaf-branch compost cutinase | | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | | Deposit date: | 2021-11-19 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
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