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5V2N
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BU of 5v2n by Molmil
Crystal Structure of APO Human SETD8
分子名称: 1,2-ETHANEDIOL, N-lysine methyltransferase KMT5A
著者Skene, R.J.
登録日2017-03-05
公開日2018-03-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
4MFI
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BU of 4mfi by Molmil
Crystal structure of Mycobacterium tuberculosis UgpB
分子名称: Sn-glycerol-3-phosphate ABC transporter substrate-binding protein UspB
著者Jiang, D, Bartlam, M, Rao, Z.
登録日2013-08-28
公開日2014-07-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural analysis of Mycobacterium tuberculosis ATP-binding cassette transporter subunit UgpB reveals specificity for glycerophosphocholine
Febs J., 281, 2014
5WYZ
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BU of 5wyz by Molmil
Crystal structure of human TLR8 in complex with CU-CPT9b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol, ...
著者Tanji, H, Ohto, U, Shimizu, T.
登録日2017-01-16
公開日2017-12-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small-molecule inhibition of TLR8 through stabilization of its resting state
Nat. Chem. Biol., 14, 2018
5WYX
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BU of 5wyx by Molmil
Crystal structure of human TLR8 in complex with CU-CPT8m
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ...
著者Tanji, H, Ohto, U, Shimizu, T.
登録日2017-01-16
公開日2017-12-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Small-molecule inhibition of TLR8 through stabilization of its resting state
Nat. Chem. Biol., 14, 2018
3SMQ
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BU of 3smq by Molmil
Crystal structure of protein arginine methyltransferase 3
分子名称: 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ...
著者Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2011-06-28
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
5I78
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BU of 5i78 by Molmil
Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ...
著者Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2016-02-17
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase
Biochem. Biophys. Res. Commun., 475, 2016
5I77
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BU of 5i77 by Molmil
Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Li, Y.J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2016-02-17
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase
Biochem. Biophys. Res. Commun., 475, 2016
5I79
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BU of 5i79 by Molmil
Crystal structure of a beta-1,4-endoglucanase mutant from Aspergillus niger in complex with sugar
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ...
著者Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2016-02-17
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase
Biochem. Biophys. Res. Commun., 475, 2016
7FH0
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BU of 7fh0 by Molmil
Crystallographic structure of two neutralizing nanobodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Zheng, P, Jin, J.
登録日2021-07-28
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron.
Cell Res., 32, 2022
5Z15
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BU of 5z15 by Molmil
Crystal structure of human TLR8 in complex with CU-CPT9c
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(7-chloranylquinolin-4-yl)-2-methyl-phenol, ...
著者Tanji, H, Ohto, U, Shimizu, T.
登録日2017-12-25
公開日2018-07-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State
To Be Published
5Z14
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BU of 5z14 by Molmil
Crystal structure of human TLR8 in complex with CU-CPT9a
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(7-methoxyquinolin-4-yl)-2-methyl-phenol, ...
著者Tanji, H, Ohto, U, Shimizu, T.
登録日2017-12-25
公開日2018-07-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State
To Be Published
5D8Z
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BU of 5d8z by Molmil
Structrue of a lucidum protein
分子名称: beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, endoglucanase
著者Guo, R, Li, Q, Shang, N, Liu, G, Ko, T.P, Chen, C.C, Liu, W.
登録日2015-08-18
公開日2016-06-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Functional and structural analyses of a 1,4-beta-endoglucanase from Ganoderma lucidum.
Enzyme.Microb.Technol., 86, 2016
5CZK
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BU of 5czk by Molmil
Structure of E. coli beta-glucuronidase bound with a novel, potent inhibitor 1-((6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea
分子名称: 1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea, Beta-glucuronidase
著者Roberts, A.R, Wallace, B.R, Redinbo, M.R.
登録日2015-07-31
公開日2015-10-14
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
5D8W
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BU of 5d8w by Molmil
Structrue of a lucidum protein
分子名称: Endoglucanase
著者Guo, R, Li, Q, Shang, N, Liu, G, Ko, T.P, Chen, C.C, Liu, W.
登録日2015-08-18
公開日2016-06-29
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Functional and structural analyses of a 1,4-beta-endoglucanase from Ganoderma lucidum.
Enzyme.Microb.Technol., 86, 2016
4IL1
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BU of 4il1 by Molmil
Crystal Structure of the Rat Calcineurin
分子名称: CALCIUM ION, Calmodulin, Calcineurin subunit B type 1, ...
著者Ye, Q, Faucher, F, Jia, Z.
登録日2012-12-28
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of calcineurin activation by calmodulin.
Cell Signal, 25, 2013
6I8L
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BU of 6i8l by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor TD001851a
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ...
著者Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2018-11-20
公開日2018-12-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
6I8B
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BU of 6i8b by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn
分子名称: 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ...
著者Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2018-11-19
公開日2018-12-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
6JOM
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BU of 6jom by Molmil
Crystal structure of lipoate protein ligase from Mycoplasma hyopneumoniae
分子名称: 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, Lipoate--protein ligase
著者Zhang, H, Chen, H, Ma, G.
登録日2019-03-22
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Functional Identification and Structural Analysis of a New Lipoate Protein Ligase inMycoplasma hyopneumoniae.
Front Cell Infect Microbiol, 10, 2020
4JKM
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BU of 4jkm by Molmil
Crystal Structure of Clostridium perfringens beta-glucuronidase
分子名称: Beta-glucuronidase, Maltose-binding periplasmic protein
著者Wallace, B.D, Redinbo, M.R.
登録日2013-03-09
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.263 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
6I8Y
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BU of 6i8y by Molmil
Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ...
著者Srikannathasan, V, Johansson, C, Gileadi, C, Shrestha, L, Sorrell, F.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2018-11-21
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
4JKK
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BU of 4jkk by Molmil
Crystal Structure of Streptococcus agalactiae beta-glucuronidase in space group I222
分子名称: Beta-glucuronidase, MAGNESIUM ION
著者Wallace, B.D, Redinbo, M.R.
登録日2013-03-09
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
4JKL
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BU of 4jkl by Molmil
Crystal Structure of Streptococcus agalactiae beta-glucuronidase in space group P21212
分子名称: Beta-glucuronidase, MAGNESIUM ION
著者Wallace, B.D, Redinbo, M.R.
登録日2013-03-09
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
6BJQ
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BU of 6bjq by Molmil
Eubacterium eligens beta-glucuronidase bound to glucuronic acid
分子名称: Glycoside Hydrolase Family 2 candidate b-glucuronidase, beta-D-glucopyranuronic acid
著者Pellock, S.J, Walton, W.G, Redinbo, M.R.
登録日2017-11-06
公開日2018-07-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Gut Microbial beta-Glucuronidase Inhibition via Catalytic Cycle Interception.
ACS Cent Sci, 4, 2018
6BJW
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BU of 6bjw by Molmil
Eubacterium eligens Beta-glucuronidase
分子名称: Glycoside Hydrolase Family 2 candidate b-glucuronidase
著者Pellock, S.J, Walton, W.G, Redinbo, M.R.
登録日2017-11-07
公開日2018-07-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Gut Microbial beta-Glucuronidase Inhibition via Catalytic Cycle Interception.
ACS Cent Sci, 4, 2018
6BO6
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BU of 6bo6 by Molmil
Eubacterium eligens beta-glucuronidase bound to UNC4917 glucuronic acid conjugate
分子名称: 4-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, Glycoside Hydrolase Family 2 candidate b-glucuronidase
著者Pellock, S.J, Walton, W.G, Redinbo, M.R.
登録日2017-11-18
公開日2018-07-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Gut Microbial beta-Glucuronidase Inhibition via Catalytic Cycle Interception.
ACS Cent Sci, 4, 2018

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