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9BHN
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BU of 9bhn by Molmil
Solution NMR structure of halichondamide A, a fused bicyclic cysteine knot undecapeptide from the marine sponge Halichondria bowerbanki
分子名称: Halichondamide A
著者Agarwal, V, McShan, A.C, Zhong, W.
登録日2024-04-21
公開日2024-08-21
最終更新日2024-09-25
実験手法SOLUTION NMR
主引用文献Discovery and Folding Dynamics of a Fused Bicyclic Cysteine Knot Undecapeptide from the Marine Sponge Halichondria bowerbanki.
J.Org.Chem., 89, 2024
3MLI
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BU of 3mli by Molmil
2ouf-ds, a disulfide-linked dimer of Helicobacter pylori protein HP0242
分子名称: CALCIUM ION, Putative uncharacterized protein
著者King, N.P, Sawaya, M.R, Jacobitz, A.W, Yeates, T.O.
登録日2010-04-16
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and folding of a designed knotted protein.
Proc.Natl.Acad.Sci.USA, 107, 2010
5E4T
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BU of 5e4t by Molmil
Acetylcholinesterase Methylene Blue with PEG
分子名称: 1,2-ETHANEDIOL, 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, Acetylcholinesterase, ...
著者Dym, O.
登録日2015-10-07
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
4Q9D
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BU of 4q9d by Molmil
X-ray structure of a putative thiamin diphosphate-dependent enzyme isolated from Mycobacterium smegmatis
分子名称: Benzoylformate decarboxylase, FORMIC ACID, MAGNESIUM ION
著者Andrews, F.H, Horton, J.D, Yoon, H.J, Malik, A.M.K, Logsdon, M.G, Shin, D.H, Kneen, M.M, Suh, S.W, McLeish, M.J.
登録日2014-04-30
公開日2015-04-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The kinetic characterization and X-ray structure of a putative benzoylformate decarboxylase from M. smegmatis highlights the difficulties in the functional annotation of ThDP-dependent enzymes.
Biochim.Biophys.Acta, 1854, 2015
7LKA
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BU of 7lka by Molmil
Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23
分子名称: ACETATE ION, COV107-23 heavy chain, COV107-23 light chain
著者Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
登録日2021-02-02
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
7LK9
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BU of 7lk9 by Molmil
Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23 HC + COVD21-C8 LC
分子名称: COV107-23 heavy chain, COVD21-C8 light chain
著者Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
登録日2021-02-01
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
3R2O
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BU of 3r2o by Molmil
1.95 A resolution structure of As-Isolated FtnA from Pseudomonas aeruginosa (pH 6.0)
分子名称: Bacterioferritin, SODIUM ION, SULFATE ION
著者Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M.
登録日2011-03-14
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
Biochemistry, 50, 2011
4Z3P
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BU of 4z3p by Molmil
MATE transporter ClbM in complex with Rb+
分子名称: CACODYLATE ION, Putative drug/sodium antiporter, RUBIDIUM ION
著者Mousa, J.J, Bruner, S.D.
登録日2015-03-31
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献MATE transport of the E. coli-derived genotoxin colibactin.
Nat Microbiol, 1, 2016
3R2L
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BU of 3r2l by Molmil
1.85A resolution structure of Iron Soaked FtnA from Pseudomonas aeruginosa (pH 7.5)
分子名称: Bacterioferritin, FE (III) ION, SODIUM ION
著者Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M.
登録日2011-03-14
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
Biochemistry, 50, 2011
3R2S
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BU of 3r2s by Molmil
2.1A resolution structure of Doubly Soaked FtnA from Pseudomonas aeruginosa (pH 6.0)
分子名称: Bacterioferritin, FE (III) ION, SODIUM ION, ...
著者Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M.
登録日2011-03-14
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
Biochemistry, 50, 2011
4RJD
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BU of 4rjd by Molmil
TFP bound in alternate orientations to calcium-saturated Calmodulin C-Domains
分子名称: 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE, CALCIUM ION, CHLORIDE ION, ...
著者Feldkamp, M.D, Gakhar, L, Pandey, N, Shea, M.A.
登録日2014-10-08
公開日2015-08-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Opposing orientations of the anti-psychotic drug trifluoperazine selected by alternate conformations of M144 in calmodulin.
Proteins, 83, 2015
4Z3N
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BU of 4z3n by Molmil
Crystal structure of the MATE transporter ClbM
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CACODYLATE ION, Putative drug/sodium antiporter
著者Mousa, J.J, Bruner, S.D.
登録日2015-03-31
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献MATE transport of the E. coli-derived genotoxin colibactin.
Nat Microbiol, 1, 2016
3R2M
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BU of 3r2m by Molmil
1.8A resolution structure of Doubly Soaked FtnA from Pseudomonas aeruginosa (pH 7.5)
分子名称: Bacterioferritin, FE (III) ION, SODIUM ION
著者Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M.
登録日2011-03-14
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
Biochemistry, 50, 2011
3R2R
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BU of 3r2r by Molmil
1.65A resolution structure of Iron Soaked FtnA from Pseudomonas aeruginosa (pH 6.0)
分子名称: Bacterioferritin, FE (III) ION, SODIUM ION, ...
著者Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M.
登録日2011-03-14
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
Biochemistry, 50, 2011
3R2H
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BU of 3r2h by Molmil
1.7 A resolution structure of As-Isolated FtnA from Pseudomonas aeruginosa (pH 10.5)
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Bacterioferritin, SODIUM ION
著者Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M.
登録日2011-03-14
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
Biochemistry, 50, 2011
7N14
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BU of 7n14 by Molmil
Crystal structure of 4-(1H-1,2,4-triazol-1-yl)benzoic acid-bound CYP199A4
分子名称: 4-(1H-1,2,4-triazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bruning, J.B, Bell, S.G.
登録日2021-05-26
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.537 Å)
主引用文献To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme.
Inorg.Chem., 61, 2022
3R2K
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BU of 3r2k by Molmil
1.55A resolution structure of As-Isolated FtnA from Pseudomonas aeruginosa (pH 7.5)
分子名称: Bacterioferritin, SODIUM ION
著者Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M.
登録日2011-03-14
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
Biochemistry, 50, 2011
4H32
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BU of 4h32 by Molmil
The crystal structure of the hemagglutinin H17 derived the bat influenza A virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
著者Sun, X, Shi, Y, Lu, X, He, J, Gao, F, Yan, J, Qi, J, Gao, G.F.
登録日2012-09-13
公開日2013-07-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Bat-derived influenza hemagglutinin H17 does not bind canonical avian or human receptors and most likely uses a unique entry mechanism.
Cell Rep, 3, 2013
6HQ4
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BU of 6hq4 by Molmil
Structure of EAL enzyme Bd1971 - cAMP bound form
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, EAL Enzyme Bd1971, MAGNESIUM ION
著者Lovering, A.L, Cadby, I.T.
登録日2018-09-24
公開日2019-07-31
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase.
Embo J., 38, 2019
6HQ3
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BU of 6hq3 by Molmil
Structure of EAL Enzyme Bd1971 - halfsite-occupied form
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, EAL Enzyme Bd1971
著者Lovering, A.L, Cadby, I.T.
登録日2018-09-24
公開日2019-07-31
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase.
Embo J., 38, 2019
5K53
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BU of 5k53 by Molmil
Crystal structures of aldehyde deformylating oxygenase from Oscillatoria sp. KNUA011
分子名称: FE (III) ION, STEARIC ACID, aldehyde deformylating oxygenase
著者Park, A.K, Kim, H-.W.
登録日2016-05-23
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of aldehyde deformylating oxygenase from Limnothrix sp. KNUA012 and Oscillatoria sp. KNUA011.
Biochem.Biophys.Res.Commun., 477, 2016
4ID4
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BU of 4id4 by Molmil
Crystal structure of chimeric beta-lactamase cTEM-17m
分子名称: Beta-lactamase TEM, Beta-lactamase PSE-4, CHLORIDE ION, ...
著者Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M.
登録日2012-12-11
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Maintenance of Native-like Protein Dynamics May Not Be Required for Engineering Functional Proteins.
Chem.Biol., 21, 2014
6HQ5
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BU of 6hq5 by Molmil
Structure of EAL Enzyme Bd1971 - cAMP and cyclic-di-GMP bound form
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CALCIUM ION, ...
著者Lovering, A.L, Cadby, I.T.
登録日2018-09-24
公開日2019-07-31
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase.
Embo J., 38, 2019
6HIG
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BU of 6hig by Molmil
hPD-1/NBO1a Fab complex
分子名称: Heavy Chain, Light Chain, Programmed cell death protein 1
著者Loredo-Varela, J.L, Fenwick, C, Pantaleo, G, Weissenhorn, W.
登録日2018-08-29
公開日2019-06-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Tumor suppression of novel anti-PD-1 antibodies mediated through CD28 costimulatory pathway.
J.Exp.Med., 216, 2019
6HQ2
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BU of 6hq2 by Molmil
Structure of EAL Enzyme Bd1971 - apo form
分子名称: EAL Enzyme Bd1971
著者Lovering, A.L, Cadby, I.T.
登録日2018-09-24
公開日2019-07-31
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase.
Embo J., 38, 2019

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