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2IWT
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BU of 2iwt by Molmil
Thioredoxin h2 (HvTrxh2) in a mixed disulfide complex with the target protein BASI
分子名称: ALPHA-AMYLASE/SUBTILISIN INHIBITOR, CITRATE ANION, THIOREDOXIN H ISOFORM 2
著者Maeda, K, Hagglund, P, Finnie, C, Svensson, B, Henriksen, A.
登録日2006-07-04
公開日2006-11-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for Target Protein Recognition by the Protein Disulfide Reductase Thioredoxin.
Structure, 14, 2006
7BZL
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BU of 7bzl by Molmil
GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol
分子名称: (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION
著者Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S.
登録日2020-04-28
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
6H8X
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BU of 6h8x by Molmil
Beta-phosphoglucomutase from Lactococcus lactis in an open conformer complexed with magnesium trifluoride to 1.8 A.
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, ACETATE ION, ...
著者Robertson, A.J, Bisson, C, Waltho, J.P.
登録日2018-08-03
公開日2020-08-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published
7C23
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BU of 7c23 by Molmil
Crystal structure of CrmE10, a SGNH-hydrolase family esterase
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Li, Z, Li, J.
登録日2020-05-07
公開日2020-05-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
4ZXU
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BU of 4zxu by Molmil
2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289
分子名称: Betaine-aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-05-20
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289.
To be Published
7BU3
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BU of 7bu3 by Molmil
Structure of alcohol dehydrogenase YjgB in complex with NADP from Escherichia coli
分子名称: ASPARTIC ACID, Alcohol dehydrogenase, DI(HYDROXYETHYL)ETHER, ...
著者Nguyen, G.T, Kim, Y.-G, Ahn, J.-W, Chang, J.H.
登録日2020-04-03
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Broad Substrate Selectivity of Alcohol Dehydrogenase YjgB from Escherichia coli .
Molecules, 25, 2020
7BYX
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Crystal structure of exo-beta-1,3-galactanase from Phanerochaete chrysosporium Pc1,3Gal43A E208A with beta-1,3-galactotriose
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Matsuyama, K, Ishida, T, Kishine, N, Fujimoto, Z, Igarashi, K, Kaneko, S.
登録日2020-04-24
公開日2020-11-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Unique active-site and subsite features in the arabinogalactan-degrading GH43 exo-beta-1,3-galactanase from Phanerochaete chrysosporium .
J.Biol.Chem., 295, 2020
2HYO
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BU of 2hyo by Molmil
Crystal structure of Rv0805 N97A mutant
分子名称: FE (III) ION, MANGANESE (II) ION, Rv0805N97A
著者Shenoy, A.R, Capuder, M, Draskovic, P, Lamba, D, Visweswariah, S.S, Podobnik, M.
登録日2006-08-07
公開日2006-12-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and Biochemical Analysis of the Rv0805 Cyclic Nucleotide Phosphodiesterase from Mycobacterium tuberculosis.
J.Mol.Biol., 365, 2007
6TP2
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BU of 6tp2 by Molmil
Crystal structure of Bacillus paralicheniformis alpha-amylase in complex with beta-cyclodextrin
分子名称: Amylase, CALCIUM ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ...
著者Rozeboom, H.J, Janssen, D.B.
登録日2019-12-12
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Characterization of the starch surface binding site on Bacillus paralicheniformis alpha-amylase.
Int.J.Biol.Macromol., 165, 2020
6T2U
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BU of 6t2u by Molmil
Cryo-EM structure of the RecBCD in complex with Chi-minus2 substrate
分子名称: DNA (Chi-minus2), RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ...
著者Cheng, K, Wilkinson, M, Wigley, D.B.
登録日2019-10-09
公開日2020-01-01
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.6 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
5AEE
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BU of 5aee by Molmil
A bacterial protein structure in glycoside hydrolase family 31
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-nitrophenyl alpha-D-6-sulfoquinovoside, ALPHA-GLUCOSIDASE YIHQ, ...
著者Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D.
登録日2015-08-28
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids.
Nat.Chem.Biol., 12, 2016
5AED
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BU of 5aed by Molmil
A bacterial protein structure in glycoside hydrolase family 31
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-GLUCOSIDASE YIHQ, CALCIUM ION
著者Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D.
登録日2015-08-28
公開日2016-02-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids.
Nat.Chem.Biol., 12, 2016
5A2D
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BU of 5a2d by Molmil
CRYSTAL STRUCTURE OF BETAINE ALDEHYDE DEHYDROGENASE FROM SPINACH SHOWING A THIOHEMIACETAL WITH BETAINE ALDEHYDE
分子名称: 2-(2-ETHOXYETHOXY)ETHANOL, 2-ETHOXYETHANOL, BETAINE ALDEHYDE DEHYDROGENASE, ...
著者Zarate-Romero, A, Munoz-Clares, R.A.
登録日2015-05-17
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Reversible, Partial Inactivation of Plant Betaine Aldehyde Dehydrogenase by Betaine Aldehyde: Mechanism and Possible Physiological Implications.
Biochem.J., 473, 2016
2WBJ
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BU of 2wbj by Molmil
TCR complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, DR ALPHA CHAIN, ...
著者Harkiolaki, M, Holmes, S.L, Svendsen, P, Gregersen, J.W, Jensen, L.T, McMahon, R, Friese, M.A, van Boxel, G, Etzensperger, R, Tzartos, J.S, Kranc, K, Sainsbury, S, Harlos, K, Mellins, E.D, Palace, J, Esiri, M.M, van der Merwe, P.A, Jones, E.Y, Fugger, L.
登録日2009-03-02
公開日2009-04-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献T Cell-Mediated Autoimmune Disease due to Low-Affinity Crossreactivity to Common Microbial Peptides.
Immunity, 30, 2009
2HYU
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BU of 2hyu by Molmil
Human Annexin A2 with heparin tetrasaccharide bound
分子名称: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Annexin A2, CALCIUM ION
著者Shao, C, Head, J.F, Seaton, B.A.
登録日2006-08-07
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystallographic Analysis of Calcium-dependent Heparin Binding to Annexin A2.
J.Biol.Chem., 281, 2006
6TE5
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BU of 6te5 by Molmil
Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with LQ43 inhibitor compound
分子名称: 6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ...
著者Gelardi, E.L.M, Garavaglia, S.
登録日2019-11-11
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Imidazo[1,2- a ]pyridine Derivatives as Aldehyde Dehydrogenase Inhibitors: Novel Chemotypes to Target Glioblastoma Stem Cells.
J.Med.Chem., 63, 2020
6TEG
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BU of 6teg by Molmil
Crystal structure of monooxygenase RutA complexed with uracil and dioxygen under 1.5 MPa / 15 bars of oxygen pressure.
分子名称: FLAVIN MONONUCLEOTIDE, OXYGEN MOLECULE, Pyrimidine monooxygenase RutA, ...
著者Saleem-Batcha, R, Matthews, A, Teufel, R.
登録日2019-11-11
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
5AA4
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BU of 5aa4 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in complex with cell-wall tetrapeptide
分子名称: MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium
著者Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
登録日2015-07-23
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
2I30
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BU of 2i30 by Molmil
Human serum albumin complexed with myristate and salicylic acid
分子名称: 2-HYDROXYBENZOIC ACID, MYRISTIC ACID, Serum albumin
著者Yang, F, Bian, C, Zhu, L, Zhao, G, Huang, Z, Huang, M.
登録日2006-08-17
公開日2006-12-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Effect of human serum albumin on drug metabolism: Structural evidence of esterase activity of human serum albumin
J.Struct.Biol., 157, 2007
2MTO
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BU of 2mto by Molmil
Non-reducible analogues of alpha-conotoxin RgIA: [2,8]-cis dicarba RgIA
分子名称: Alpha-conotoxin RgIA
著者Chhabra, S, Robinson, S, Norton, R.
登録日2014-08-26
公開日2014-11-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Dicarba Analogues of alpha-Conotoxin RgIA. Structure, Stability, and Activity at Potential Pain Targets.
J.Med.Chem., 57, 2014
2XW0
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BU of 2xw0 by Molmil
Human serum albumin complexed with dansyl-L-phenylalanine
分子名称: DANSYL-L-PHENYLALANINE, SERUM ALBUMIN
著者Ryan, A.J, Curry, S.
登録日2010-10-28
公開日2010-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
7ABB
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BU of 7abb by Molmil
The truncated structure of the Bottromycin biosynthetic protein SalCYP
分子名称: HEME C, SalCYP truncation
著者Adam, S, Koehnke, J.
登録日2020-09-07
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.50004339 Å)
主引用文献Characterization of the Stereoselective P450 Enzyme BotCYP Enables the In Vitro Biosynthesis of the Bottromycin Core Scaffold.
J.Am.Chem.Soc., 142, 2020
2NQT
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BU of 2nqt by Molmil
Crystal structure of N-Acetyl-gamma-Glutamyl-Phosphate Reductase (Rv1652) from Mycobacterium tuberculosis at 1.58 A resolution
分子名称: N-acetyl-gamma-glutamyl-phosphate reductase
著者Cherney, L.T, Cherney, M.M, Garen, C.R, Moraidin, F, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
登録日2006-10-31
公開日2006-11-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal Structure of N-acetyl-gamma-glutamyl-phosphate Reductase from Mycobacterium tuberculosis in Complex with NADP(+).
J.Mol.Biol., 367, 2007
2I6Y
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Structure and Mechanism of Mycobacterium tuberculosis Salicylate Synthase, MbtI
分子名称: Anthranilate synthase component I, putative
著者Zwahlen, J, Subramaniapillai, K, Zhou, R, Kisker, C, Tonge, P.J.
登録日2006-08-29
公開日2007-06-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and mechanism of MbtI, the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 46, 2007
2BVQ
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Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression
分子名称: BETA-2-MICROGLOBULIN, HIV-P24, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
著者Stewart-Jones, G.B, Gillespie, G, Overton, I.M, Kaul, R, Roche, P, Mcmichael, A.J, Rowland-Jones, S, Jones, E.Y.
登録日2005-07-01
公開日2005-09-07
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of three HIV-1 HLA-B*5703-peptide complexes and identification of related HLAs potentially associated with long-term nonprogression.
J Immunol., 175, 2005

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