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4R89
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Crystal structure of paFAN1 - 5' flap DNA complex with Manganase
分子名称: DNA (5'-D(P*AP*CP*CP*AP*GP*AP*CP*AP*CP*AP*CP*AP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*TP*GP*TP*GP*TP*GP*TP*CP*TP*CP*AP*AP*TP*CP*CP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*GP*GP*AP*TP*TP*G)-3'), ...
著者Cho, Y, Gwon, G.H, Kim, Y.R.
登録日2014-08-30
公開日2014-10-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (4.002 Å)
主引用文献Crystal structure of a Fanconi anemia-associated nuclease homolog bound to 5' flap DNA: basis of interstrand cross-link repair by FAN1
Genes Dev., 28, 2014
2JOA
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BU of 2joa by Molmil
HtrA1 bound to an optimized peptide: NMR assignment of PDZ domain and ligand resonances
分子名称: Peptide H1-C1, Serine protease HTRA1
著者Runyon, S.T, Zhang, Y, Appleton, B.A, Sazinksy, S.L, Wu, P, Pan, B, Wiesmann, C, Skelton, N.J, Sidhu, S.S.
登録日2007-03-01
公開日2007-11-20
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural and functional analysis of the PDZ domains of human HtrA1 and HtrA3
Protein Sci., 16, 2007
4KWK
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Rat cysteine dioxygenase with cysteine persulfide bound to active site iron
分子名称: Cysteine dioxygenase type 1, FE (II) ION, S-MERCAPTOCYSTEINE
著者Souness, R.J, Wilbanks, S.M, Jameson, G.B, Jameson, G.N.L.
登録日2013-05-24
公開日2013-10-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanistic implications of persulfenate and persulfide binding in the active site of cysteine dioxygenase.
Biochemistry, 52, 2013
6HX5
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BU of 6hx5 by Molmil
Selenols: a new class of Carbonic Anhydrase inhibitors
分子名称: Carbonic anhydrase 2, ZINC ION, benzeneselenol
著者Angeli, A, Ferraroni, M.
登録日2018-10-16
公開日2018-12-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Selenols: a new class of carbonic anhydrase inhibitors.
Chem. Commun. (Camb.), 55, 2019
6FMO
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Crystal structure of the substrate (obtusifoliol)-bound and ligand-free I105F mutant of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi
分子名称: Obtusifoliol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14alpha-demethylase
著者Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2018-02-01
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Binding of a physiological substrate causes large-scale conformational reorganization in cytochrome P450 51.
J. Biol. Chem., 293, 2018
6BUA
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BU of 6bua by Molmil
Drosophila Dicer-2 apo homology model (helicase, Platform-PAZ, RNaseIII domains)
分子名称: Dicer-2, isoform A
著者Shen, P.S, Sinha, N.K, Bass, B.L.
登録日2017-12-09
公開日2017-12-27
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (7.1 Å)
主引用文献Dicer uses distinct modules for recognizing dsRNA termini.
Science, 359, 2018
2W0B
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BU of 2w0b by Molmil
CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR 3-{[(4-METHYLPHENYL)SULFONYL]AMINO}PROPYL PYRIDIN-4-YLCARBAMATE
分子名称: 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M.
登録日2008-08-12
公開日2009-01-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Trypanosoma cruzi CYP51 inhibitor derived from a Mycobacterium tuberculosis screen hit.
Plos Negl Trop Dis, 3, 2009
6G2J
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BU of 6g2j by Molmil
Mouse mitochondrial complex I in the active state
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Agip, A.N.A, Blaza, J.N, Bridges, H.R, Viscomi, C, Rawson, S, Muench, S.P, Hirst, J.
登録日2018-03-23
公開日2018-06-06
最終更新日2021-06-02
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of complex I from mouse heart mitochondria in two biochemically defined states.
Nat. Struct. Mol. Biol., 25, 2018
7PKO
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BU of 7pko by Molmil
CryoEM structure of Rotavirus NSP2
分子名称: Non-structural protein 2
著者Bravo, J.P.K, Borodavka, A.
登録日2021-08-26
公開日2021-09-29
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis of rotavirus RNA chaperone displacement and RNA annealing.
Proc.Natl.Acad.Sci.USA, 118, 2021
6HY8
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Cu(II)-substituted Wells-Dawson binding to Hen Egg-White Lysozyme (HEWL)
分子名称: CHLORIDE ION, Cu(II)-substituted Wells-Dawson, Lysozyme C, ...
著者Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N.
登録日2018-10-19
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Noncovalent Complexes Formed between Metal-Substituted Polyoxometalates and Hen Egg White Lysozyme
Eur J Inorg Chem, 2019
6G5C
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Interaction of TiO2 nanoparticles (NM-101) with Lysozyme
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Sbirkova-Dimitrova, H.I, Radoslavov, G, Hristov, P, Ganev, V, Dimowa, L, Rusev, R, Shivachev, B.L.
登録日2018-03-29
公開日2018-10-24
最終更新日2019-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallization and crystal structure of lysozyme in the presence of nanosized Titanium dioxide
Bul.Chem.Commn., 50, 2018
6AY6
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BU of 6ay6 by Molmil
Naegleria fowleri CYP51-voriconazole complex
分子名称: CYP51, sterol 14alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M.
登録日2017-09-07
公開日2017-11-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
3CY6
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BU of 3cy6 by Molmil
Crystal Structure of E18Q DJ-1
分子名称: Protein DJ-1
著者Witt, A.C, Lakshminarasimhan, M, Remington, B.C, Hasim, S, Pozharski, E, Wilson, M.A.
登録日2008-04-25
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Cysteine pKa depression by a protonated glutamic acid in human DJ-1.
Biochemistry, 47, 2008
3I3D
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BU of 3i3d by Molmil
E. COLI (lacZ) BETA-GALACTOSIDASE (M542A) IN COMPLEX WITH IPTG
分子名称: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
著者Dugdale, M.L, Dymianiw, D, Minhas, B, Huber, R.E.
登録日2009-06-30
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Role of Met-542 as a guide for the conformational changes of Phe-601 that occur during the reaction of β-galactosidase (Escherichia coli).
Biochem.Cell Biol., 88, 2010
2WAB
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BU of 2wab by Molmil
Structure of an active site mutant of a family two carbohydrate esterase from Clostridium thermocellum in complex with celluohexase
分子名称: ENDOGLUCANASE E, GLYCEROL, IODIDE ION, ...
著者Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J.
登録日2009-02-04
公開日2009-03-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
2WCG
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X-ray structure of acid-beta-glucosidase with N-octyl(cyclic guanidine)-nojirimycin in the active site
分子名称: CHLORIDE ION, GLUCOSYLCERAMIDASE, N-[(3E,5R,6R,7S,8R,8AR)-5,6,7,8-TETRAHYDROXYHEXAHYDROIMIDAZO[1,5-A]PYRIDIN-3(2H)-YLIDENE]OCTAN-1-AMINIUM, ...
著者Brumshtein, B, Aguilar, M, Garcia-Moreno, M.I, Mellet, C.O, Garcia-Fernandez, J.M, Silman, I, Shaaltiel, Y, Aviezer, D, Sussman, J.L, Futerman, A.H.
登録日2009-03-12
公開日2009-11-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献6-Amino-6-Deoxy-5,6-Di-N-(N'-Octyliminomethylidene)Nojirimycin: Synthesis, Biological Evaluation, and Crystal Structure in Complex with Acid Beta-Glucosidase.
Chembiochem, 10, 2009
7XK7
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BU of 7xk7 by Molmil
Cryo-EM structure of Na+-pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae, with korormicin
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ...
著者Kishikawa, J, Ishikawa, M, Masuya, T, Murai, M, Barquera, B, Miyoshi, H.
登録日2022-04-19
公開日2022-07-20
最終更新日2022-08-10
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures of Na + -pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae.
Nat Commun, 13, 2022
4L06
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Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Concha, N.O, Smallwood, A.M.
登録日2013-05-30
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.282 Å)
主引用文献Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
7PKP
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NSP2 RNP complex
分子名称: Non-structural protein 2
著者Bravo, J.P.K, Borodavka, A.
登録日2021-08-26
公開日2021-09-29
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of rotavirus RNA chaperone displacement and RNA annealing.
Proc.Natl.Acad.Sci.USA, 118, 2021
3I3O
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BU of 3i3o by Molmil
2.06 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor' in complex with NAD-acetone
分子名称: CACODYLATE ION, CHLORIDE ION, MAGNESIUM ION, ...
著者Halavaty, A.S, Minasov, G, Skarina, T, Onopriyenko, O, Peterson, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-06-30
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献2.06 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor' in complex with NAD-acetone
To be Published
4PBF
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BU of 4pbf by Molmil
Phosphotriesterase variant Rev12
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-revR12, ...
著者Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
登録日2014-04-12
公開日2015-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
4P7R
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Structure of Escherichia coli PgaB C-terminal domain in complex with a poly-beta-1,6-N-acetyl-D-glucosamine (PNAG) hexamer
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase
著者Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L.
登録日2014-03-27
公開日2014-07-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine.
Proc.Natl.Acad.Sci.USA, 111, 2014
4L1W
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Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 in Complex with NADP+ and Progesterone
分子名称: Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ...
著者Zhang, B, Hu, X.-J, Lin, S.-X.
登録日2013-06-03
公開日2014-04-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Human 3-alpha hydroxysteroid dehydrogenase type 3 (3 alpha-HSD3): The V54L mutation restricting the steroid alternative binding and enhancing the 20 alpha-HSD activity
J.Steroid Biochem.Mol.Biol., 141, 2014
6BAX
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BU of 6bax by Molmil
Lactate Dehydrogenase in complex with inhibitor 6-(3-aminophenyl)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
分子名称: (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
著者Ultsch, M, Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
4PBZ
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Structure of the human RbAp48-MTA1(670-695) complex
分子名称: Histone-binding protein RBBP4, Metastasis-associated protein MTA1
著者Murthy, A, Pei, X.Y, Watson, A.A, Silva, A.P.G, Mackay, J.P, Laue, E.D.
登録日2014-04-14
公開日2014-06-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014

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