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4QOF
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BU of 4qof by Molmil
Crystal structure of fmn quinone reductase 2 AT 1.55A
分子名称: FLAVIN MONONUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION
著者Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G.
登録日2014-06-20
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of FMN quinone reductase 2 at 1.55A
To be Published
6GLU
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BU of 6glu by Molmil
Crystal structure of hMTH1 D120N in complex with LW14 in the presence of acetate
分子名称: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献hMTH1 D120N in complex with LW14
To Be Published
6GHZ
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BU of 6ghz by Molmil
Structure of Lytic Transglycosylase MltE mutant Y192F from E.coli
分子名称: Endo-type membrane-bound lytic murein transglycosylase A
著者Batuecas, M.T, Hermoso, J.A.
登録日2018-05-09
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献A Structural Dissection of the Active Site of the Lytic Transglycosylase MltE from Escherichia coli.
Biochemistry, 57, 2018
5ZOD
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BU of 5zod by Molmil
Crystal Structure of hFen1 in apo form
分子名称: Flap endonuclease 1, MAGNESIUM ION, POTASSIUM ION
著者Han, W, Hua, Y, Zhao, Y.
登録日2018-04-13
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
3HUK
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BU of 3huk by Molmil
Benzylacetate in complex with T4 lysozyme L99A/M102Q
分子名称: BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION, ...
著者Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K.
登録日2009-06-14
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
3DSI
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BU of 3dsi by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOT at 1.60 A resolution
分子名称: (9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid, Cytochrome P450 74A, chloroplast, ...
著者Lee, D.S, Nioche, P, Raman, C.S.
登録日2008-07-12
公開日2008-08-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008
6JTK
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BU of 6jtk by Molmil
Crystal structure of NagZ from Neisseria gonorrhoeae in complex with N-trifluoroacetyl-D-glucosamine
分子名称: 2,2,2-tris(fluoranyl)-N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide, Beta-hexosaminidase
著者Chen, Y.
登録日2019-04-11
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of NagZ from Neisseria gonorrhoeae in complex with N-trifluoroacetyl-D-glucosamine
To Be Published
3DYC
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BU of 3dyc by Molmil
Structure of E322Y Alkaline Phosphatase in Complex with Inorganic Phosphate
分子名称: Alkaline phosphatase, PHOSPHATE ION, ZINC ION
著者Zalatan, J.G, Fenn, T.D, Herschlag, D.
登録日2008-07-25
公開日2008-10-21
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Comparative Enzymology in the Alkaline Phosphatase Superfamily to Determine the Catalytic Role of an Active-Site Metal Ion.
J.Mol.Biol., 384, 2008
7UFR
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BU of 7ufr by Molmil
Cryo-EM Structure of Bl_Man38A at 2.7 A
分子名称: Alpha-mannosidase, ZINC ION
著者Santos, C.R, Cordeiro, R.L, Domingues, M.N, Borges, A.C, de Farias, M.A, Van Heel, M, Murakami, M.T, Portugal, R.V.
登録日2022-03-23
公開日2022-11-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM Structure of Bl_Man38A at 2.7 A
Nat.Chem.Biol., 2022
2FPY
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BU of 2fpy by Molmil
Dual binding mode of a novel series of DHODH inhibitors
分子名称: 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID, ACETATE ION, Dihydroorotate dehydrogenase, ...
著者Baumgartner, R, Leban, J.
登録日2006-01-17
公開日2007-01-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dual binding mode of a novel series of DHODH inhibitors.
J.Med.Chem., 49, 2006
6GK5
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BU of 6gk5 by Molmil
Crystal structure of cytochrome P450 CYP267B1 from Sorangium cellulosum So ce56
分子名称: Cytochrome P450 CYP267B1 protein, PROTOPORPHYRIN IX CONTAINING FE
著者Jozwik, I.K, Thunnissen, A.M.W.H.
登録日2018-05-18
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into oxidation of medium-chain fatty acids and flavanone by myxobacterial cytochrome P450 CYP267B1.
Biochem. J., 475, 2018
6JUK
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BU of 6juk by Molmil
Crystal structure of Formate dehydrogenase mutant C256I/E261P/S381I from Pseudomonas sp. 101 in complex with non-natural cofactor Nicotinamide Cytosine Dinucleotide
分子名称: Formate dehydrogenase, GLYCEROL, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Feng, Y, Xue, S, Guo, X, Zhao, Z.
登録日2019-04-14
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.293 Å)
主引用文献Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor.
Chemistry, 26, 2020
6JWB
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BU of 6jwb by Molmil
Crystal Structures of Endo-beta-1,4-xylanase II Complexed with Xylotriose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION, ...
著者Li, C, Wan, Q.
登録日2019-04-19
公開日2020-04-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
2FWR
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BU of 2fwr by Molmil
Structure of Archaeoglobus Fulgidis XPB
分子名称: DNA repair protein RAD25, ISOPROPYL ALCOHOL, PHOSPHATE ION
著者Fan, L, Arvai, A.S, Tainer, J.A.
登録日2006-02-02
公開日2006-04-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Conserved XPB Core Structure and Motifs for DNA Unwinding: Implications for Pathway Selection of Transcription or Excision Repair
Mol.Cell, 22, 2006
7UFU
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BU of 7ufu by Molmil
Cryo-EM Structure of Bl_Man38A nucleophile mutant in complex with mannose at 2.7 A
分子名称: Alpha-mannosidase, ZINC ION, alpha-D-mannopyranose
著者Santos, C.R, Cordeiro, R.L, Domingues, M.N, Borges, A.C, de Farias, M.A, Van Heel, M, Murakami, M.T, Portugal, R.V.
登録日2022-03-23
公開日2022-11-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM Structure of Bl_Man38A nucleophile mutant in complex with mannose at 2.7 A
Nat.Chem.Biol., 2022
6GLF
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BU of 6glf by Molmil
Crystal structure of hMTH1 F27A in the presence of acetate
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献hMTH1 F27A
To Be Published
6GLL
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BU of 6gll by Molmil
Crystal structure of hMTH1 N33A in complex with LW14 in the presence of acetate
分子名称: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.395 Å)
主引用文献hMTH1 N33A in complex with LW14
To Be Published
6GSZ
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BU of 6gsz by Molmil
Crystal structure of native alfa-L-rhamnosidase from Aspergillus terreus
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ...
著者Pachl, P, Rezacova, P, Skerlova, J.
登録日2018-06-15
公開日2018-11-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Crystal structure of native alpha-L-rhamnosidase from Aspergillus terreus.
Acta Crystallogr D Struct Biol, 74, 2018
6JX1
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BU of 6jx1 by Molmil
Crystal structure of Formate dehydrogenase mutant V198I/C256I/P260S/E261P/S381N/S383F from Pseudomonas sp. 101
分子名称: Formate dehydrogenase, GLYCEROL
著者Feng, Y, Xue, S, Guo, X, Zhao, Z.
登録日2019-04-21
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.233 Å)
主引用文献Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor.
Chemistry, 26, 2020
6JXG
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BU of 6jxg by Molmil
Crystasl Structure of Beta-glucosidase D2-BGL from Chaetomella Raphigera
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-glucosidase, alpha-D-mannopyranose
著者Wang, A.H.-J, Lee, C.C, Kao, M.R, Ho, T.H.D.
登録日2019-04-23
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Chaetomella raphigerabeta-glucosidase D2-BGL has intriguing structural features and a high substrate affinity that renders it an efficient cellulase supplement for lignocellulosic biomass hydrolysis.
Biotechnol Biofuels, 12, 2019
4M32
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BU of 4m32 by Molmil
Crystal structure of gated-pore mutant D138N of second DNA-Binding protein under starvation from Mycobacterium smegmatis
分子名称: CHLORIDE ION, FE (II) ION, MAGNESIUM ION, ...
著者Williams, S.M, Chandran, A.V, Vijayabaskar, M.S, Roy, S, Balaram, H, Vishveshwara, S, Vijayan, M, Chatterji, D.
登録日2013-08-06
公開日2014-03-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献A histidine aspartate ionic lock gates the iron passage in miniferritins from Mycobacterium smegmatis
J.Biol.Chem., 289, 2014
4QY9
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BU of 4qy9 by Molmil
X-ray structure of the adduct between hen egg white lysozyme and Auoxo3, a cytotoxic gold(III) compound
分子名称: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
著者Russo Krauss, I, Merlino, A.
登録日2014-07-24
公開日2014-11-05
最終更新日2014-11-19
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Interactions of gold-based drugs with proteins: the structure and stability of the adduct formed in the reaction between lysozyme and the cytotoxic gold(iii) compound Auoxo3.
Dalton Trans, 43, 2014
4LTT
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BU of 4ltt by Molmil
Crystal structure of native apo toxin from Helicobacter pylori
分子名称: Uncharacterized protein, toxin
著者Lee, B.J, Im, H, Pathak, C.C, Yoon, H.J.
登録日2013-07-23
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Crystal structure of apo and copper bound HP0894 toxin from Helicobacter pylori 26695 and insight into mRNase activity
Biochim.Biophys.Acta, 1834, 2013
4QYE
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BU of 4qye by Molmil
CHK1 kinase domain in complex with diarylpyrazine compound 1
分子名称: 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1
著者Appleton, B, Wu, P.
登録日2014-07-24
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
6JZI
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BU of 6jzi by Molmil
Structure of hen egg-white lysozyme obtained from SFX experiments under atmospheric pressure
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Nango, E, Sugahara, M, Nakane, T, Tanaka, T, Iwata, S.
登録日2019-05-02
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-viscosity sample-injection device for serial femtosecond crystallography at atmospheric pressure.
J.Appl.Crystallogr., 52, 2019

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