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3UQF
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BU of 3uqf by Molmil
c-SRC kinase domain in complex with BKI RM-1-89
分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Merritt, E.A, Larson, E.T.
登録日2011-11-20
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
4IDL
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BU of 4idl by Molmil
Low melting temperature Anti-Cholera Toxin Llama VHH domain
分子名称: Single Domain Antibody VHH A9
著者Legler, P.M, Lam, A, Hol, W.G.J.
登録日2012-12-12
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure of a low-melting-temperature anti-cholera toxin: llama V(H)H domain.
Acta Crystallogr.,Sect.F, 69, 2013
3UPX
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BU of 3upx by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1300
分子名称: Calmodulin-domain protein kinase 1, [2-amino-1-(piperidin-4-ylmethyl)-1H-benzimidazol-6-yl](phenyl)methanone
著者Merritt, E.A, Larson, E.T.
登録日2011-11-18
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V51
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BU of 3v51 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176
分子名称: 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-15
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5P
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BU of 3v5p by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288
分子名称: 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-16
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
2CHB
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BU of 2chb by Molmil
CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHARIDE
分子名称: CHOLERA TOXIN, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Merritt, E.A, Hol, W.G.J.
登録日1997-06-03
公開日1997-12-03
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies of receptor binding by cholera toxin mutants.
Protein Sci., 6, 1997
8DB4
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BU of 8db4 by Molmil
Crystal structure of the peanut allergen Ara h 2 bound by two neutralizing antibodies 22S1 and 13T1
分子名称: 1,2-ETHANEDIOL, 13T1 Heavy chain, 13T1 Light chain, ...
著者Min, J, Pedersen, L.C.
登録日2022-06-14
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Immunotherapy-induced neutralizing antibodies disrupt allergen binding and sustain allergen tolerance in peanut allergy.
J.Clin.Invest., 133, 2023
6MVH
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BU of 6mvh by Molmil
Crystal structure of FMN-binding beta-glucuronidase from Roseburia hominis
分子名称: Beta-galactosidase, CALCIUM ION, FLAVIN MONONUCLEOTIDE
著者Pellock, S.J, Redinbo, M.R.
登録日2018-10-25
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.
J. Mol. Biol., 431, 2019
6MVF
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BU of 6mvf by Molmil
Crystal structure of FMN-binding beta-glucuronidase from Facaelibacterium prausnitzii L2-6
分子名称: Beta-galactosidase/beta-glucuronidase, FLAVIN MONONUCLEOTIDE
著者Pellock, S.J, Redinbo, M.R.
登録日2018-10-25
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.
J. Mol. Biol., 431, 2019
8DHV
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BU of 8dhv by Molmil
Treponema lecithinolyticum beta-glucuronidase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Glycosyl hydrolase family 2, ...
著者Lietzan, A.D, Redinbo, M.R.
登録日2022-06-28
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
8DHW
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BU of 8dhw by Molmil
Treponema lecithinolyticum beta-glucuronidase in complex with a UNC4917-glucuronide 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, Glycosyl hydrolase family 2, TIM barrel domain protein, ...
著者Lietzan, A.D, Redinbo, M.R.
登録日2022-06-28
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
8DHE
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BU of 8dhe by Molmil
Tannerella forsythia beta-glucuronidase (mL1)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Lietzan, A.D, Redinbo, M.R.
登録日2022-06-27
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
8DHL
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BU of 8dhl by Molmil
Tannerella forsythia beta-glucuronidase (L2)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 2, ...
著者Lietzan, A.D, Redinbo, M.R.
登録日2022-06-27
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
6MVG
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BU of 6mvg by Molmil
Crystal structure of FMN-binding beta-glucuronidase from Ruminococcus gnavus
分子名称: CALCIUM ION, FLAVIN MONONUCLEOTIDE, beta-glucuronidase
著者Pellock, S.J, Redinbo, M.R.
登録日2018-10-25
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.
J. Mol. Biol., 431, 2019
8E72
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BU of 8e72 by Molmil
Treponema lecithinolyticum beta-glucuronidase in complex with a ciprofloxacin-glucuronide conjugate
分子名称: 3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline, Glycosyl hydrolase family 2, TIM barrel domain protein, ...
著者Lietzan, A.D, Redinbo, M.R.
登録日2022-08-23
公開日2023-06-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
8DZK
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BU of 8dzk by Molmil
Dbr1 in complex with 5-mer cleavage product
分子名称: FE (II) ION, RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3'), RNA lariat debranching enzyme, ...
著者Clark, N.E, Taylor, A.B.
登録日2022-08-08
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the RNA Lariat Debranching Enzyme Dbr1 with Hydrolyzed Phosphorothioate RNA Product.
Biochemistry, 61, 2022
6NZG
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BU of 6nzg by Molmil
Bacteroides uniformis beta-glucuronidase 2 covalently bound to cyclophellitol-6-carboxylate aziridine
分子名称: (1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid, Beta-galactosidase, CALCIUM ION, ...
著者Pellock, S.J, Jariwala, P.B, Redinbo, M.R.
登録日2019-02-13
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovering the Microbial Enzymes Driving Drug Toxicity with Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
4M97
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BU of 4m97 by Molmil
Calcium-Dependent Protein Kinase 1 from Neospora caninum
分子名称: Calmodulin-like domain protein kinase isoenzyme gamma, related
著者Merritt, E.A.
登録日2013-08-14
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
4MXA
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BU of 4mxa by Molmil
CDPK1 from Neospora caninum in complex with inhibitor RM-1-132
分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related
著者Merritt, E.A.
登録日2013-09-26
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
3KWQ
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BU of 3kwq by Molmil
Structural characterization of H3K56Q nucleosomes and nucleosomal arrays
分子名称: DNA (146-MER), Histone H2A, Histone H2B 1.1, ...
著者Lilyestrom, W.G, Clark, N.
登録日2009-12-01
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural characterization of H3K56Q nucleosomes and nucleosomal arrays.
Biochim.Biophys.Acta, 1799
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
分子名称: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-01-28
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
3KXB
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BU of 3kxb by Molmil
Structural characterization of H3K56Q nucleosomes and nucleosomal arrays
分子名称: Histone H2A, Histone H2B 1.1, Histone H3.2, ...
著者Clark, N.J, Lilyestrom, W.G.
登録日2009-12-02
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural characterization of H3K56Q nucleosomes and nucleosomal arrays.
Biochim.Biophys.Acta, 1799, 2010
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
1NNC
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BU of 1nnc by Molmil
INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) COMPLEXED WITH 4-GUANIDINO-NEU5AC2EN INHIBITOR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ...
著者Varghese, J.N, Colman, P.M.
登録日1995-03-15
公開日1996-04-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional structure of the complex of 4-guanidino-Neu5Ac2en and influenza virus neuraminidase.
Protein Sci., 4, 1995
1CJ4
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BU of 1cj4 by Molmil
MUTANT Q34T OF PARA-HYDROXYBENZOATE HYDROXYLASE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
著者Eppink, M.H.M, Overkamp, K.M, Schreuder, H.A, Van Berkel, W.J.H.
登録日1999-04-21
公開日1999-04-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Switch of coenzyme specificity of p-hydroxybenzoate hydroxylase.
J.Mol.Biol., 292, 1999

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