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7DKV
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BU of 7dkv by Molmil
Crystal structure of TxGH116 E441A nucleophile mutant from Thermoanaerobacterium xylanolyticum with cellotriose
分子名称: CALCIUM ION, GLYCEROL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2020-11-25
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for transglycosylation in glycoside hydrolase family GH116 glycosynthases.
Arch.Biochem.Biophys., 706, 2021
7DKT
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BU of 7dkt by Molmil
Crystal structure of TxGH116 E441A nucleophile mutant from Thermoanaerobacterium xylanolyticum with alpha-glucosyl fluoride
分子名称: CALCIUM ION, GLYCEROL, alpha-D-glucopyranosyl fluoride, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2020-11-25
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for transglycosylation in glycoside hydrolase family GH116 glycosynthases.
Arch.Biochem.Biophys., 706, 2021
7DKX
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BU of 7dkx by Molmil
Crystal structure of TxGH116 E441G nucleophile mutant from Thermoanaerobacterium xylanolyticum with cellobiose
分子名称: CALCIUM ION, GLYCEROL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2020-11-25
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for transglycosylation in glycoside hydrolase family GH116 glycosynthases.
Arch.Biochem.Biophys., 706, 2021
7DKU
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BU of 7dku by Molmil
Crystal structure of TxGH116 E441A nucleophile mutant from Thermoanaerobacterium xylanolyticum with cellobiose
分子名称: CALCIUM ION, GLYCEROL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2020-11-25
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for transglycosylation in glycoside hydrolase family GH116 glycosynthases.
Arch.Biochem.Biophys., 706, 2021
7DKW
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BU of 7dkw by Molmil
Crystal structure of TxGH116 E441G nucleophile mutant from Thermoanaerobacterium xylanolyticum with autocondensation products from alpha-fluoroglucoside.
分子名称: CALCIUM ION, GLYCEROL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2020-11-25
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural basis for transglycosylation in glycoside hydrolase family GH116 glycosynthases.
Arch.Biochem.Biophys., 706, 2021
7DKS
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BU of 7dks by Molmil
Crystal structure of TxGH116 E441A nucleophile mutant from Thermoanaerobacterium xylanolyticum
分子名称: CALCIUM ION, GLYCEROL, beta-glucosidase
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2020-11-25
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for transglycosylation in glycoside hydrolase family GH116 glycosynthases.
Arch.Biochem.Biophys., 706, 2021
7DKY
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BU of 7dky by Molmil
Crystal structure of TxGH116 E441G nucleophile mutant from Thermoanaerobacterium xylanolyticum with cellotriose
分子名称: CALCIUM ION, GLYCEROL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2020-11-25
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for transglycosylation in glycoside hydrolase family GH116 glycosynthases.
Arch.Biochem.Biophys., 706, 2021
5UCJ
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BU of 5ucj by Molmil
Hsp90b N-terminal domain with inhibitors
分子名称: (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-beta
著者Peng, S, Balch, M, Matts, R, Deng, J.
登録日2016-12-22
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.693 Å)
主引用文献Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
5UCI
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BU of 5uci by Molmil
Hsp90b N-terminal domain with inhibitors
分子名称: (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Peng, S, Balch, M, Matts, R, Deng, J.
登録日2016-12-22
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
5UCH
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BU of 5uch by Molmil
Hsp90b N-terminal domain with inhibitors
分子名称: 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Peng, S, Balch, M, Matts, R, Deng, J.
登録日2016-12-22
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.654 Å)
主引用文献Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
6AEJ
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BU of 6aej by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
分子名称: (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
著者Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
登録日2018-08-05
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
6AK4
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BU of 6ak4 by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
分子名称: (~{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
著者Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
登録日2018-08-30
公開日2019-07-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
7W3Z
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BU of 7w3z by Molmil
Cryo-EM Structure of Human Gastrin Releasing Peptide Receptor in complex with the agonist Gastrin Releasing Peptide and Gq heterotrimers
分子名称: Gastrin Releasing Peptide PRGNHWAVGHLM(NH2), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhan, Y, Peng, S, Zhang, H.
登録日2021-11-26
公開日2023-02-22
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of human gastrin-releasing peptide receptors bound to antagonist and agonist for cancer and itch therapy.
Proc.Natl.Acad.Sci.USA, 120, 2023
7W40
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BU of 7w40 by Molmil
Cryo-EM Structure of Human Gastrin Releasing Peptide Receptor in complex with the agonist Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] and Gq heterotrimers
分子名称: Bombesin, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhan, Y, Peng, S, Zhang, H.
登録日2021-11-26
公開日2023-02-22
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of human gastrin-releasing peptide receptors bound to antagonist and agonist for cancer and itch therapy.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JBO
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BU of 8jbo by Molmil
Crystal structure of TxGH116 from Thermoanaerobacterium xylanolyticum with isofagomine
分子名称: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, CALCIUM ION, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-05-09
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
7BZM
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BU of 7bzm by Molmil
Crystal structure of rice Os3BGlu7 with glucoimidazole
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, GLUCOIMIDAZOLE, ...
著者Pengthaisong, S, Ketudat Cairns, J.R, Tankrathok, A.
登録日2020-04-28
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Specific Glucoimidazole and Mannoimidazole Binding by Os3BGlu7.
Biomolecules, 10, 2020
6WIG
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BU of 6wig by Molmil
Structure of STENOFOLIA Protein HD domain bound with DNA
分子名称: 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
著者Deng, J, Peng, S, Pathak, P.
登録日2020-04-09
公開日2021-08-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the unique tetrameric STENOFOLIA homeodomain bound with target promoter DNA.
Acta Crystallogr D Struct Biol, 77, 2021
5UC4
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BU of 5uc4 by Molmil
Hsp90b N-terminal domain with inhibitors
分子名称: 5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Deng, J, Peng, S, Balch, M, Matts, R.
登録日2016-12-21
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
7LSZ
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BU of 7lsz by Molmil
Hsp90a N-terminal inhibitor
分子名称: 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
著者Balch, M, Peng, S, Deng, J, Matts, R.
登録日2021-02-18
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selective Inhibition of the Hsp90 alpha Isoform.
Angew.Chem.Int.Ed.Engl., 60, 2021
7LT0
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BU of 7lt0 by Molmil
Hsp90a N-terminal inhibitor
分子名称: (1,3-dihydro-2H-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone, Heat shock protein HSP 90-alpha
著者Balch, M, Peng, S, Deng, J, Matts, R.
登録日2021-02-18
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Selective Inhibition of the Hsp90 alpha Isoform.
Angew.Chem.Int.Ed.Engl., 60, 2021
7FI9
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BU of 7fi9 by Molmil
Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
分子名称: GLYCEROL, MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein
著者Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J.
登録日2021-07-30
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
to be published
7FI7
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BU of 7fi7 by Molmil
Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
分子名称: MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein
著者Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J.
登録日2021-07-30
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
to be published
7FI8
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BU of 7fi8 by Molmil
Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
分子名称: MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein
著者Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J.
登録日2021-07-30
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
to be published
7FI6
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BU of 7fi6 by Molmil
Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
分子名称: MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein
著者Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J.
登録日2021-07-30
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
to be published
7FI5
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BU of 7fi5 by Molmil
Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
分子名称: GLYCEROL, MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein
著者Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J.
登録日2021-07-30
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
to be published

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