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6HQH
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BU of 6hqh by Molmil
Structure of Agrobacterium tumefaciens B6 strain PBP SocA complexed with Deoxyfructosylglutamine (DFG) at 1.8 A resolution
分子名称: 1,2-ETHANEDIOL, Deoxyfructosylglutamine, Membrane-bound lytic murein transglycosylase F
著者Morera, S, Marty, L.
登録日2018-09-25
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens.
J.Biol.Chem., 291, 2016
5CEE
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BU of 5cee by Molmil
Malic enzyme from Candidatus Phytoplasma AYWB in complex with NAD and Mg2+
分子名称: MAGNESIUM ION, NAD-dependent malic enzyme, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Alvarez, C.E, Trajtenberg, F, Larrieux, N, Saigo, M, Mussi, M.A, Andreo, C.S, Drincovich, M.F, Buschiazzo, A.
登録日2015-07-06
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献The crystal structure of the malic enzyme from Candidatus Phytoplasma reveals the minimal structural determinants for a malic enzyme.
Acta Crystallogr D Struct Biol, 74, 2018
6T8Z
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BU of 6t8z by Molmil
NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A ternary complex with the oxidised form of the cofactor NAD+ and the substrate formate both at a primary and secondary sites.
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A.
登録日2019-10-25
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme.
J.Struct.Biol., 212, 2020
2OOD
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BU of 2ood by Molmil
Crystal structure of guanine deaminase from Bradyrhizobium japonicum
分子名称: Blr3880 protein, GUANINE, ZINC ION
著者Agarwal, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-01-25
公開日2007-02-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystal structure of guanine deaminase from Bradyrhizobium japonicum
To be Published
6TAB
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BU of 6tab by Molmil
Bd0314 DslA wild-type form 2
分子名称: SLT domain-containing protein, SULFATE ION
著者Lovering, A.L, Harding, C.J.
登録日2019-10-29
公開日2020-07-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献A lysozyme with altered substrate specificity facilitates prey cell exit by the periplasmic predator Bdellovibrio bacteriovorus.
Nat Commun, 11, 2020
2OME
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BU of 2ome by Molmil
Crystal structure of human CTBP2 dehydrogenase complexed with NAD(H)
分子名称: C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Pilka, E.S, Guo, K, Rojkova, A, Debreczeni, J.E, Kavanagh, K.L, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-01-22
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of human CTBP2 dehydrogenase complexed with NAD(H)
To be Published
7CDH
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BU of 7cdh by Molmil
Crystal structure of Betaaspartyl dipeptidase from thermophilic keratin degrading Fervidobacterium islandicum-AW-1
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isoaspartyl dipeptidase, ...
著者Dhanasingh, I, La, J.W, Lee, D.W, Lee, S.H.
登録日2020-06-19
公開日2020-12-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Functional Characterization of Primordial Protein Repair Enzyme M38 Metallo-Peptidase From Fervidobacterium islandicum AW-1.
Front Mol Biosci, 7, 2020
5CJE
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BU of 5cje by Molmil
Structure of CYP107L2
分子名称: Cytochrome P450 hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Pham, T.-V, Han, S.-H, Kim, J.-H, Kim, D.-H, Kang, L.-W.
登録日2015-07-14
公開日2016-07-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of CYP107L2
To Be Published
4DBC
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BU of 4dbc by Molmil
Substrate Activation in Aspartate Aminotransferase
分子名称: (E)-N-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-aspartic acid, 1,2-ETHANEDIOL, Aspartate aminotransferase, ...
著者Toney, M.D, Fisher, A.J, Griswold, W.R.
登録日2012-01-14
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Ground-state electronic destabilization via hyperconjugation in aspartate aminotransferase.
J.Am.Chem.Soc., 134, 2012
6TJK
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BU of 6tjk by Molmil
Crystal Structure of Recombinant GBA in Complex with Bis-Tris Propane.
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rowland, R.J, Davies, G.J.
登録日2019-11-26
公開日2020-06-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6TEE
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BU of 6tee by Molmil
Crystal structure of monooxygenase RutA under anaerobic conditions.
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, 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 (2.2 Å)
主引用文献Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases.
Nat.Chem.Biol., 16, 2020
3BE1
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BU of 3be1 by Molmil
Dual specific bH1 Fab in complex with the extracellular domain of HER2/ErbB-2
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Fragment-Heavy Chain, ...
著者Bostrom, J.M, Wiesmann, C, Appleton, B.A.
登録日2007-11-15
公開日2008-11-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Variants of the antibody herceptin that interact with HER2 and VEGF at the antigen binding site
Science, 323, 2009
6R4K
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BU of 6r4k by Molmil
Structure of beta-glucosidase A from Paenibacillus polymyxa complexed with a monovalent inhibitor
分子名称: (2~{S},3~{S},4~{R})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol, Beta-glucosidase A
著者Jimenez-Ortega, E, Sanz-Aparicio, J.
登録日2019-03-22
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural basis of the inhibition of GH1 beta-glucosidases by multivalent pyrrolidine iminosugars.
Bioorg.Chem., 89, 2019
6R6V
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BU of 6r6v by Molmil
Structure of recombinant human butyrylcholinesterase in complex with a fluorescent coumarin-based probe
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ...
著者Brazzolotto, X, Nachon, F, Knez, D, Gobec, S.
登録日2019-03-28
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.
J Enzyme Inhib Med Chem, 35, 2020
6RB5
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BU of 6rb5 by Molmil
Trypanothione reductase in complex with 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide
分子名称: 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Ilari, A, Fiorillo, A, Battista, T, Mocci, S.
登録日2019-04-09
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.977 Å)
主引用文献Spiro-containing derivatives show antiparasitic activity against Trypanosoma brucei through inhibition of the trypanothione reductase enzyme.
Plos Negl Trop Dis, 14, 2020
7C2B
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BU of 7c2b by Molmil
Crystal structure of ferredoxin: thioredoxin reductase and thioredoxin f2 complex
分子名称: Ferredoxin-thioredoxin reductase catalytic chain, chloroplastic, Ferredoxin-thioredoxin reductase variable chain, ...
著者Kurisu, G, Juniar, L, Tanaka, H.
登録日2020-05-07
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7949 Å)
主引用文献Structural basis for thioredoxin isoform-based fine-tuning of ferredoxin-thioredoxin reductase activity.
Protein Sci., 29, 2020
7C82
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BU of 7c82 by Molmil
Crystal structure of AlinE4, a SGNH-hydrolase family esterase
分子名称: ACETATE ION, ALANINE, CADMIUM ION, ...
著者Li, Z, Li, J.
登録日2020-05-28
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
2ONO
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BU of 2ono by Molmil
Arg475Gln Mutant of Mitochondrial Aldehyde Dehydrogenase, apo form, pseudo-merohedrally twinned
分子名称: Aldehyde dehydrogenase
著者Larson, H.N, Hurley, T.D.
登録日2007-01-24
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
2AL1
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BU of 2al1 by Molmil
Crystal Structure Analysis of Enolase Mg Subunit Complex at pH 8.0
分子名称: 2-PHOSPHOGLYCERIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Sims, P.A, Menefee, A.L, Larsen, T.M, Mansoorabadi, S.O, Reed, G.H.
登録日2005-08-04
公開日2006-01-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure and catalytic properties of an engineered heterodimer of enolase composed of one active and one inactive subunit
J.Mol.Biol., 355, 2006
2OR3
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BU of 2or3 by Molmil
Pre-oxidation Complex of Human DJ-1
分子名称: Protein DJ-1, SULFATE ION
著者Witt, A.C, Lakshminarasimhan, M, Wilson, M.A.
登録日2007-02-01
公開日2007-02-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Cysteine pKa depression by a protonated glutamic acid in human DJ-1.
Biochemistry, 47, 2008
4DB6
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BU of 4db6 by Molmil
Designed Armadillo repeat protein (YIIIM3AII)
分子名称: Armadillo repeat protein
著者Madhurantakam, C, Varadamsetty, G, Grutter, M.G, Pluckthun, A, Mittl, P.R.E.
登録日2012-01-13
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based optimization of designed Armadillo-repeat proteins.
Protein Sci., 21, 2012
2VB5
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BU of 2vb5 by Molmil
Solution structure of W60G mutant of human beta2-microglobulin
分子名称: BETA-2-MICROGLOBULIN
著者Esposito, G, Corazza, A, Rennella, E, Gumral, D, Mimmi, M.C, Fogolari, F, Viglino, P, Raimondi, S, Giorgetti, S, Bolognesi, B, Merlini, G, Stoppini, M, Bellotti, V.
登録日2007-09-06
公開日2007-09-25
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The Controlling Roles of Trp60 and Trp95 in Beta2-Microglobulin Function, Folding and Amyloid Aggregation Properties.
J.Mol.Biol., 378, 2008
5BOO
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BU of 5boo by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265
分子名称: 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Phillips, M, Deng, X, Tomchick, D.
登録日2015-05-27
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
7CGY
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BU of 7cgy by Molmil
Human DMC1 Q244M mutant of the post-synaptic complexes
分子名称: CALCIUM ION, Meiotic recombination protein DMC1/LIM15 homolog, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Chi, H.Y, Ho, M.C, Tsai, M.D, Luo, S.C, Yeh, H.Y.
登録日2020-07-03
公開日2020-11-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Identification of fidelity-governing factors in human recombinases DMC1 and RAD51 from cryo-EM structures.
Nat Commun, 12, 2021
7C9C
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BU of 7c9c by Molmil
Human DMC1 pre-synaptic complexes
分子名称: CALCIUM ION, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Meiotic recombination protein DMC1/LIM15 homolog, ...
著者Luo, S.C, Yeh, H.Y, Chi, P, Ho, M.C, Tsai, M.D.
登録日2020-06-05
公開日2020-11-25
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Identification of fidelity-governing factors in human recombinases DMC1 and RAD51 from cryo-EM structures.
Nat Commun, 12, 2021

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