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8D8Z
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BU of 8d8z by Molmil
Crystal structure of ChoE N147A mutant in complex with thiocholine and chloride
分子名称: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, CHLORIDE ION, ChoE, ...
著者Pham, V.D, Shi, R.
登録日2022-06-09
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases
To be published
8D8W
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BU of 8d8w by Molmil
Crystal structure of ChoE with Ser38 adopting alternative conformations
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ChoE, IODIDE ION
著者Pham, V.D, Shi, R.
登録日2022-06-09
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases
To be published
8D8Y
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BU of 8d8y by Molmil
Crystal structure of ChoE N147A mutant in complex with acetylthiocholine
分子名称: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETYLTHIOCHOLINE, CHLORIDE ION, ...
著者Pham, V.D, Shi, R.
登録日2022-06-09
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases
To be published
8D90
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BU of 8d90 by Molmil
Crystal structure of ChoE N147A mutant in complex with bromide ions
分子名称: BROMIDE ION, ChoE, GLYCEROL
著者Pham, V.D, Shi, R.
登録日2022-06-09
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases
To be published
8D8X
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BU of 8d8x by Molmil
Crystal structure of ChoE in complex with acetate and thiocholine (crystal form 2)
分子名称: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETATE ION, CHLORIDE ION, ...
著者Pham, V.D, Shi, R.
登録日2022-06-09
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases
To be published
4X8Q
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BU of 4x8q by Molmil
X-ray crystal structure of AlkD2 from Streptococcus mutans
分子名称: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
著者Mullins, E.A, Shi, R, Eichman, B.F.
登録日2014-12-10
公開日2015-05-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.729 Å)
主引用文献A New Family of HEAT-Like Repeat Proteins Lacking a Critical Substrate Recognition Motif Present in Related DNA Glycosylases.
Plos One, 10, 2015
6UQW
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BU of 6uqw by Molmil
Crystal structure of ChoE in complex with acetate and thiocholine
分子名称: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETATE ION, ChoE, ...
著者Pham, V.D, Shi, R.
登録日2019-10-21
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6UR1
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BU of 6ur1 by Molmil
Crystal structure of ChoE S38A mutant in complex with acetate and acetylthiocholine
分子名称: ACETATE ION, ACETYLTHIOCHOLINE, ChoE, ...
著者Pham, V.D, Shi, R.
登録日2019-10-21
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6UQZ
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BU of 6uqz by Molmil
Crystal structure of ChoE D285N mutant in complex with acetate and thiocholine
分子名称: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETATE ION, ChoE
著者Pham, V.D, Shi, R.
登録日2019-10-21
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6UQY
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BU of 6uqy by Molmil
Crystal structure of ChoE H288N mutant in complex with acetylthiocholine
分子名称: ACETYLTHIOCHOLINE, ChoE, GLYCEROL
著者Pham, V.D, Shi, R.
登録日2019-10-21
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6UR0
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BU of 6ur0 by Molmil
Crystal structure of ChoE D285N mutant acyl-enzyme
分子名称: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ChoE, GLYCEROL
著者Pham, V.D, Shi, R.
登録日2019-10-21
公開日2020-05-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6UQX
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BU of 6uqx by Molmil
Crystal structure of ChoE in complex with propionylthiocholine
分子名称: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ChoE, IODIDE ION, ...
著者Pham, V.D, Shi, R.
登録日2019-10-21
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
5I1V
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BU of 5i1v by Molmil
Crystal structure of CrmK, a flavoenzyme involved in the shunt product recycling mechanism in caerulomycin biosynthesis
分子名称: CrmK, FLAVIN-ADENINE DINUCLEOTIDE
著者Picard, M.-E, Barma, J, Shi, R.
登録日2016-02-07
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Biochemical and structural insights into flavoenzyme CrmK reveals a shunt product recycling mechanism in caerulomycin biosynthesis
to be published
5JMD
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BU of 5jmd by Molmil
Heparinase III-BT4657 gene product, Methylated Lysines
分子名称: Heparinase III protein, MAGNESIUM ION
著者Ulaganathan, T.S, Shi, R, Yao, D, Garron, M.-L, Cherney, M, Cygler, M.
登録日2016-04-28
公開日2016-05-25
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657).
Glycobiology, 27, 2017
5I1W
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BU of 5i1w by Molmil
Crystal structure of CrmK, a flavoenzyme involved in the shunt product recycling mechanism in caerulomycin biosynthesis
分子名称: 4-hydroxy[2,2'-bipyridine]-6-carbaldehyde, 6-(hydroxymethyl)[2,2'-bipyridin]-4-ol, CrmK, ...
著者Picard, M.-E, Barma, J, Shi, R.
登録日2016-02-07
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Biochemical and structural insights into flavoenzyme CrmK reveals a shunt product recycling mechanism in caerulomycin biosynthesis
to be published
5JMF
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BU of 5jmf by Molmil
Heparinase III-BT4657 gene product
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Heparinase III protein, ...
著者Ulaganathan, T.S, Shi, R, Yao, D, Garron, M.-L, Cherney, M, Cygler, M.
登録日2016-04-28
公開日2016-05-25
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657).
Glycobiology, 27, 2017
6AI6
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BU of 6ai6 by Molmil
Crystal structure of SpCas9-NG
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), ...
著者Nishimasu, H, Hirano, S, Ishitani, R, Nureki, O.
登録日2018-08-21
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Engineered CRISPR-Cas9 nuclease with expanded targeting space
Science, 361, 2018
3OQ5
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BU of 3oq5 by Molmil
Crystal structure of the 3-MBT domain from human L3MBTL1 in complex with p53K382me1
分子名称: Cellular tumor antigen p53, Lethal(3)malignant brain tumor-like protein
著者Roy, S, West, L.E, Weiner, K.L, Hayashi, R, Shi, X, Appella, E, Gozani, O, Kutateladze, T.
登録日2010-09-02
公開日2010-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5005 Å)
主引用文献The MBT Repeats of L3MBTL1 Link SET8-mediated p53 Methylation at Lysine 382 to Target Gene Repression.
J.Biol.Chem., 285, 2010
6B02
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BU of 6b02 by Molmil
Crystal structure of CfFPPS2 (apo form), a lepidopteran type-II farnesyl diphosphate synthase
分子名称: Farnesyl diphosphate synthase
著者Picard, M.-E, Cusson, M, Shi, R.
登録日2017-09-13
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design.
Insect Biochem. Mol. Biol., 92, 2017
6B07
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BU of 6b07 by Molmil
Crystal structure of CfFPPS2, a lepidopteran type-II farnesyl diphosphate synthase, complexed with [1-phosphono-2-(1-propylpyridin-2-yl)ethyl]phosphonic acid (inhibitor 1d)
分子名称: 1,2-ETHANEDIOL, 2-(2,2-diphosphonoethyl)-1-propylpyridin-1-ium, Farnesyl diphosphate synthase, ...
著者Picard, M.-E, Cusson, M, Shi, R.
登録日2017-09-13
公開日2017-12-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design.
Insect Biochem. Mol. Biol., 92, 2017
6B06
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BU of 6b06 by Molmil
Crystal structure of CfFPPS2, a lepidopteran type-II farnesyl diphosphate synthase, complexed with IPP and [2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid (inhibitor 1b)
分子名称: 2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl diphosphate synthase, ...
著者Picard, M.-E, Cusson, M, Shi, R.
登録日2017-09-13
公開日2017-12-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design.
Insect Biochem. Mol. Biol., 92, 2017
6B04
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BU of 6b04 by Molmil
Crystal structure of CfFPPS2, a lepidopteran type-II farnesyl diphosphate synthase, complexed with [2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid (inhibitor 1b)
分子名称: 1,2-ETHANEDIOL, 2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium, Farnesyl diphosphate synthase, ...
著者Picard, M.-E, Cusson, M, Shi, R.
登録日2017-09-13
公開日2017-12-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design.
Insect Biochem. Mol. Biol., 92, 2017
1OV4
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BU of 1ov4 by Molmil
Crystal structure of human DHEA-ST complexed with androsterone
分子名称: (3Beta,5alpha)-3-Hydroxyandrostan-17-one, Alcohol sulfotransferase, SULFATE ION
著者Chang, H.J, Shi, R, Rhese, P, Lin, S.X.
登録日2003-03-25
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identifying androsterone (ADT) as a cognate substrate for human dehydroepiandrosterone sulfotransferase (DHEA-ST) important for steroid homeostasis: structure of the enzyme-ADT complex.
J.Biol.Chem., 279, 2004
4URM
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BU of 4urm by Molmil
Crystal Structure of Staph GyraseB 24kDa in complex with Kibdelomycin
分子名称: (1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside, DNA GYRASE SUBUNIT B
著者Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B.
登録日2014-06-30
公開日2014-07-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode.
Acs Chem.Biol., 9, 2014
7VZT
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BU of 7vzt by Molmil
A human neutralizing antibody targeting SARS-CoV-2 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GH12-Heavy, GH12-LIGHT, ...
著者Wang, F.Z, Wang, Y, Tan, X.W, Shi, R, Yan, J.H.
登録日2021-11-16
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献GH12, glycosylation function
To Be Published

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件を2024-07-24に公開中

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