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5FCE
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BU of 5fce by Molmil
The crystal structure of the ligand binding region of Serine-glutamate repeat protein A (SgrA) of Enterococcus faecium
分子名称: LPXTG family cell surface protein Fms2
著者Ponnuraj, K, Nagarajan, R.
登録日2015-12-15
公開日2016-07-06
最終更新日2017-12-06
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献The crystal structure of the ligand-binding region of serine-glutamate repeat containing protein A (SgrA) of Enterococcus faecium reveals a new protein fold: functional characterization and insights into its adhesion function.
FEBS J., 283, 2016
6IEP
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BU of 6iep by Molmil
GAPDH of Streptococcus agalactiae
分子名称: Glyceraldehyde-3-phosphate dehydrogenase
著者Ponnuraj, K, Nagarajan, R.
登録日2018-09-15
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of GAPDH of Streptococcus agalactiae and characterization of its interaction with extracellular matrix molecules
Microb. Pathog., 127, 2018
6NT2
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BU of 6nt2 by Molmil
type 1 PRMT in complex with the inhibitor GSK3368715
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine, ...
著者Concha, N.O.
登録日2019-01-28
公開日2019-07-10
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Anti-tumor Activity of the Type I PRMT Inhibitor, GSK3368715, Synergizes with PRMT5 Inhibition through MTAP Loss.
Cancer Cell, 36, 2019
5EWI
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BU of 5ewi by Molmil
Crystal Structure of the Human Fab VRC38.01, an HIV-1 V1V2-Directed Neutralizing Antibody Isolated from Donor N90
分子名称: VRC38.01 Heavy Chain, VRC38.01 Light Chain
著者Gorman, J, Kwong, P.D.
登録日2015-11-20
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5996 Å)
主引用文献Virus-like Particles Identify an HIV V1V2 Apex-Binding Neutralizing Antibody that Lacks a Protruding Loop.
Immunity, 46, 2017
6P6G
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BU of 6p6g by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Elkins, P.A, Wang, L.
登録日2019-06-03
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6P6K
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BU of 6p6k by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Wang, L.
登録日2019-06-04
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6P7Z
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BU of 6p7z by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Bonnette, W.G.
登録日2019-06-06
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6PAF
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BU of 6paf by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: GLYCEROL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Wang, L.
登録日2019-06-11
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.241 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6WNS
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BU of 6wns by Molmil
The structure of a CoA-dependent acyl-homoserine lactone synthase, MesI
分子名称: Acyl-homoserine-lactone synthase
著者Dong, S.-H, Nair, S.K.
登録日2020-04-23
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure-Guided Biochemical Analysis of Quorum Signal Synthase Specificities.
Acs Chem.Biol., 15, 2020
6WN0
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The structure of a CoA-dependent acyl-homoserine lactone synthase, RpaI, with the adduct of SAH and p-coumaroyl CoA
分子名称: (2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2E)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid, 4-coumaroyl-homoserine lactone synthase, COENZYME A
著者Dong, S.-H, Nair, S.K.
登録日2020-04-22
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Biochemical Analysis of Quorum Signal Synthase Specificities.
Acs Chem.Biol., 15, 2020
5VGJ
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BU of 5vgj by Molmil
Crystal Structure of the Human Fab VRC38.01, an HIV-1 V1V2-Directed Neutralizing Antibody Isolated from Donor N90, bound to a scaffolded WITO V1V2 domain
分子名称: 1FD6-V1V2-WITO, 2-acetamido-2-deoxy-beta-D-glucopyranose, VRC38.01 Fab Heavy Chain, ...
著者Gorman, J, Li, J, Kwong, P.D.
登録日2017-04-11
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.456 Å)
主引用文献Virus-like Particles Identify an HIV V1V2 Apex-Binding Neutralizing Antibody that Lacks a Protruding Loop.
Immunity, 46, 2017
5W8C
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BU of 5w8c by Molmil
The structure of a COA-dependent acyl-homoserine lactone synthase, BjaI, with MTA and isovaleryl-CoA
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Autoinducer synthase, CHLORIDE ION, ...
著者Dong, S.-H, Nair, S.K.
登録日2017-06-21
公開日2017-08-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular basis for the substrate specificity of quorum signal synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W8D
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BU of 5w8d by Molmil
The structure of a COA-dependent acyl-homoserine lactone synthase, BjaI, with MTA
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Autoinducer synthase, GLYCEROL
著者Dong, S.-H, Nair, S.K.
登録日2017-06-21
公開日2017-08-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for the substrate specificity of quorum signal synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W8A
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BU of 5w8a by Molmil
The structure of a COA-dependent acyl-homoserine lactone synthase, BjaI, with SAM and isopentyl-CoA
分子名称: Autoinducer synthase, S-ADENOSYLMETHIONINE, isopentyl-Coenzyme A
著者Dong, S.-H, Nair, S.K.
登録日2017-06-21
公開日2017-08-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for the substrate specificity of quorum signal synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W8G
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BU of 5w8g by Molmil
The structure of a COA-dependent acyl-homoserine lactone synthase, BjaI, with SAH
分子名称: Autoinducer synthase, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION
著者Dong, S.-H, Nair, S.K.
登録日2017-06-21
公開日2017-08-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for the substrate specificity of quorum signal synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W8E
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BU of 5w8e by Molmil
The structure of a CoA-dependent acyl-homoserine lactone synthase, BjaI, with the adduct of SAH and IV-CoA
分子名称: (2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid, ADENINE, Autoinducer synthase, ...
著者Dong, S.-H, Nair, S.K.
登録日2017-06-21
公開日2017-08-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis for the substrate specificity of quorum signal synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1PWD
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BU of 1pwd by Molmil
Covalent acyl enzyme complex of the Streptomyces R61 DD-peptidase with cephalosporin C
分子名称: (2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase precursor
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-07-01
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1PW1
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BU of 1pw1 by Molmil
Non-Covalent Complex Of Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin
分子名称: (2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE, D-alanyl-D-alanine carboxypeptidase, FORMYL GROUP, ...
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-06-30
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1PWG
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Covalent Penicilloyl Acyl Enzyme Complex Of The Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin
分子名称: (2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-07-01
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.074 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1PW8
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Covalent Acyl Enzyme Complex Of The R61 DD-Peptidase with A Highly Specific Cephalosporin
分子名称: (6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-07-01
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1PWC
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penicilloyl acyl enzyme complex of the Streptomyces R61 DD-peptidase with penicillin G
分子名称: D-alanyl-D-alanine carboxypeptidase, OPEN FORM - PENICILLIN G
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-07-01
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005

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