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4DQ9
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BU of 4dq9 by Molmil
Crystal structure of the minor pseudopilin EPSH from the type II secretion system of Vibrio cholerae
分子名称: CHLORIDE ION, General secretion pathway protein H, SODIUM ION
著者Raghunathan, K, Vago, F.S, Grindem, D, Ball, T, Wedemeyer, W.J, Arvidson, D.N.
登録日2012-02-15
公開日2013-03-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The 1.59 angstrom resolution structure of the minor pseudopilin EpsH of Vibrio cholerae reveals a long flexible loop.
Biochim.Biophys.Acta, 1844, 2013
7AVF
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BU of 7avf by Molmil
Triclinic hydrogenated hen egg-white lysozyme at 100 K (control)
分子名称: ACETATE ION, Lysozyme, NITRATE ION
著者Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E.
登録日2020-11-05
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
7AVG
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BU of 7avg by Molmil
Perdeuterated hen egg-white lysozyme at 100 K
分子名称: ACETATE ION, Lysozyme, NITRATE ION
著者Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E.
登録日2020-11-05
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
7B02
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BU of 7b02 by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
分子名称: 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Fata, F, Silvestri, I, Williams, D.L, Angelucci, F.
登録日2020-11-18
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
2XGF
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BU of 2xgf by Molmil
Structure of the bacteriophage T4 long tail fibre needle-shaped receptor-binding tip
分子名称: CARBONATE ION, FE (II) ION, LONG TAIL FIBER PROTEIN P37
著者Bartual, S.G, Otero, J.M, Garcia-Doval, C, Llamas-Saiz, A.L, Kahn, R, Fox, G.C, van Raaij, M.J.
登録日2010-06-03
公開日2010-11-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the bacteriophage T4 long tail fiber receptor-binding tip.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
5B8B
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BU of 5b8b by Molmil
Crystal structure of reduced chimeric E.coli AhpC1-186-YFSKHN
分子名称: Alkyl hydroperoxide reductase subunit C,Peroxiredoxin-2, SULFATE ION
著者Kamariah, N, Sek, M.F, Eisenhaber, B, Eisenhaber, F, Gruber, G.
登録日2016-06-14
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Transition steps in peroxide reduction and a molecular switch for peroxide robustness of prokaryotic peroxiredoxins.
Sci Rep, 6, 2016
6SGG
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BU of 6sgg by Molmil
Crystal structure of monooxygenase RutA complexed with dioxygen under 1.5 MPa / 15 bars of oxygen pressure.
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, OXYGEN MOLECULE, ...
著者Saleem-Batcha, R, Matthews, A, Teufel, R.
登録日2019-08-04
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases.
Nat.Chem.Biol., 16, 2020
6SGL
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BU of 6sgl by Molmil
Crystal structure of monooxygenase RutA complexed with Uracil under atmospheric pressure.
分子名称: FLAVIN MONONUCLEOTIDE, Pyrimidine monooxygenase RutA, SULFATE ION, ...
著者Saleem-Batcha, R, Matthews, A, Teufel, R.
登録日2019-08-05
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases.
Nat.Chem.Biol., 16, 2020
5B5J
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BU of 5b5j by Molmil
Hen egg white lysozyme with boron tracedrug UTX-97
分子名称: 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide, Lysozyme C, SODIUM ION
著者Morimoto, Y.
登録日2016-05-11
公開日2017-06-28
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structural Insight Into Protein Binding of Boron Tracedrug UTX-97 Revealed by the Co-Crystal Structure With Lysozyme at 1.26 angstrom Resolution.
J Pharm Sci, 105, 2016
5B2W
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BU of 5b2w by Molmil
Crystal Structure of P450BM3 with N-perfluorododecanoyl-L-tryptophan
分子名称: (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y.
登録日2016-02-03
公開日2017-02-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of P450BM3 with decoy molecules
to be published
6SJ1
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BU of 6sj1 by Molmil
Amidohydrolase, AHS
分子名称: Amidohydrolase, ZINC ION
著者Naismith, J.H, Song, H.
登録日2019-08-12
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
6SJF
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BU of 6sjf by Molmil
Cryo-EM structure of the RecBCD Chi unrecognised complex
分子名称: Forked DNA substrate, RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ...
著者Cheng, K, Wilkinson, M, Wigley, D.B.
登録日2019-08-13
公開日2020-01-01
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献A conformational switch in response to Chi converts RecBCD from phage destruction to DNA repair.
Nat.Struct.Mol.Biol., 27, 2020
2DT7
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BU of 2dt7 by Molmil
Solution structure of the second SURP domain of human splicing factor SF3a120 in complex with a fragment of human splicing factor SF3a60
分子名称: Splicing factor 3 subunit 1, Splicing factor 3A subunit 3
著者He, F, Kuwasako, K, Inoue, M, Guntert, P, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-07-11
公開日2006-12-26
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structures of the SURP domains and the subunit-assembly mechanism within the splicing factor SF3a complex in 17S U2 snRNP
Structure, 14, 2006
4DE3
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BU of 4de3 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 4
分子名称: 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
5B7Q
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BU of 5b7q by Molmil
Structures and functional analysis of periplasmic 5-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Aeromonas hydrophila
分子名称: 5'-DEOXYADENOSINE, MTA/SAH nucleosidase
著者Xu, Y.
登録日2016-06-08
公開日2016-12-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.493 Å)
主引用文献Structural and Functional Analyses of Periplasmic 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase from Aeromonas hydrophila.
Biochemistry, 56, 2017
5WHL
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BU of 5whl by Molmil
Kelch domain of human Keap1 bound to inhibitory small molecule fragment: hydroxyphenyl propionic acid
分子名称: HYDROXYPHENYL PROPIONIC ACID, Kelch-like ECH-associated protein 1, SULFATE ION
著者Carolan, J.P, Lynch, A.J, Allen, K.N.
登録日2017-07-17
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
7AMZ
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BU of 7amz by Molmil
Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide
分子名称: 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Pasieka, A, Panek, D, Wieckowska, A.
登録日2020-10-10
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters.
Eur.J.Med.Chem., 218, 2021
2MC0
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BU of 2mc0 by Molmil
Structural Basis of a Thiopeptide Antibiotic Multidrug Resistance System from Streptomyces lividans:Nosiheptide in Complex with TipAS
分子名称: 4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid, HTH-type transcriptional activator TipA, nosiheptide
著者Habazettl, J, Allan, M.G, Jensen, P, Sass, H, Grzesiek, S.
登録日2013-08-12
公開日2014-12-10
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Structural basis and dynamics of multidrug recognition in a minimal bacterial multidrug resistance system
Proc.Natl.Acad.Sci.USA, 111, 2014
6SD8
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BU of 6sd8 by Molmil
Bd2924 apo-form
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Probable acyl-CoA dehydrogenase
著者Lovering, A.L, Harding, C.J.
登録日2019-07-26
公開日2019-09-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Target highlights in CASP13: Experimental target structures through the eyes of their authors.
Proteins, 87, 2019
5WIY
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BU of 5wiy by Molmil
Kelch domain of human Keap1 bound to small molecule inhibitor fragment: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione
分子名称: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, Kelch-like ECH-associated protein 1, SULFATE ION
著者Carolan, J.P, Lynch, A.J, Allen, K.N.
登録日2017-07-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
6H3N
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BU of 6h3n by Molmil
Structure of VgrG1 in the Type VI secretion VgrG1-Tse6-EF-Tu complex embedded in lipid nanodiscs
分子名称: VgrG1
著者Quentin, D, Raunser, S.
登録日2018-07-19
公開日2018-09-12
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Mechanism of loading and translocation of type VI secretion system effector Tse6.
Nat Microbiol, 3, 2018
6SDA
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BU of 6sda by Molmil
Bd2924 C10 acyl-coenzymeA bound form
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Probable acyl-CoA dehydrogenase, decanoyl-CoA
著者Lovering, A.L, Harding, C.J.
登録日2019-07-26
公開日2019-09-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Target highlights in CASP13: Experimental target structures through the eyes of their authors.
Proteins, 87, 2019
2LYC
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BU of 2lyc by Molmil
Structure of C-terminal domain of Ska1
分子名称: Spindle and kinetochore-associated protein 1 homolog
著者Boeszoermenyi, A, Schmidt, J.C, Markus, M, Oberer, M, Cheeseman, I.M, Wagner, G, Arthanari, H.
登録日2012-09-14
公開日2012-10-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The kinetochore-bound ska1 complex tracks depolymerizing microtubules and binds to curved protofilaments.
Dev.Cell, 23, 2012
5C0P
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BU of 5c0p by Molmil
The crystal structure of endo-arabinase from Bacteroides thetaiotaomicron VPI-5482
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Endo-arabinase, ...
著者Tan, K, Cuff, M, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-06-12
公開日2015-07-01
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.532 Å)
主引用文献The crystal structure of endo-arabinase from Bacteroides thetaiotaomicron VPI-5482
To Be Published
2MBK
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BU of 2mbk by Molmil
The Clip-segment of the von Willebrand domain 1 of the BMP modulator protein Crossveinless 2 is preformed
分子名称: Crossveinless 2
著者Mueller, T.D, Fiebig, J.E, Weidauer, S.E, Qiu, L, Bauer, M, Schmieder, P, Beerbaum, M, Zhang, J, Oschkinat, H, Sebald, W.
登録日2013-08-02
公開日2013-10-16
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The Clip-Segment of the von Willebrand Domain 1 of the BMP Modulator Protein Crossveinless 2 Is Preformed.
Molecules, 18, 2013

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