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2WWC
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BU of 2wwc by Molmil
3D-structure of the modular autolysin LytC from Streptococcus pneumoniae in complex with synthetic peptidoglycan ligand
分子名称: 1,4-BETA-N-ACETYLMURAMIDASE, CHOLINE ION, GLYCEROL
著者Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L.
登録日2009-10-22
公開日2010-04-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc.
Nat.Struct.Mol.Biol., 17, 2010
4NGL
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BU of 4ngl by Molmil
Previously de-ionized HEW lysozyme batch crystallized in 0.6 M CoCl2
分子名称: CHLORIDE ION, COBALT (II) ION, Lysozyme C
著者Benas, P, Legrand, L, Ries-Kautt, M.
登録日2013-11-02
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
5ZED
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BU of 5zed by Molmil
Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (E214V/T215S)
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein ADH
著者Wang, Y, Zhou, J.Y, Hou, X.D, Xu, G.C, Wu, L, Rao, Y.J, ZHou, J.H, Ni, Y.
登録日2018-02-27
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
4S2Y
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BU of 4s2y by Molmil
Structure of E. coli RppH bound to RNA and three magnesium ions
分子名称: CHLORIDE ION, MAGNESIUM ION, RNA (5'-R(*(APC)*GP*U)-3'), ...
著者Vasilyev, N, Serganov, A.
登録日2015-01-23
公開日2015-02-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of RNA Complexes with the Escherichia coli RNA Pyrophosphohydrolase RppH Unveil the Basis for Specific 5'-End-dependent mRNA Decay.
J.Biol.Chem., 290, 2015
2GVW
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BU of 2gvw by Molmil
Structure of diisopropyl fluorophosphatase (DFPase) holoenzyme (RT)
分子名称: CALCIUM ION, Phosphotriesterase
著者Chen, J.C.H, Blum, M.M.
登録日2006-05-03
公開日2006-09-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Binding of a designed substrate analogue to diisopropyl fluorophosphatase: implications for the phosphotriesterase mechanism.
J.Am.Chem.Soc., 128, 2006
6JVH
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BU of 6jvh by Molmil
Crystal structure of human MTH1 in complex with compound MI0320
分子名称: 4-amino-6-fluoroquinoline-3-carbohydrazide, 7,8-dihydro-8-oxoguanine triphosphatase
著者Peng, C, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
7Y5E
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BU of 7y5e by Molmil
In situ single-PBS-PSII-PSI-LHCs megacomplex.
分子名称: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sui, S.F.
登録日2022-06-17
公開日2023-02-01
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex.
Nature, 616, 2023
4NJO
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BU of 4njo by Molmil
crystal structure of cofactor(NAD+) bound 3-phosphoglycerate dehydrogenase in Entamoeba histolytica
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-3-phosphoglycerate dehydrogenase, putative, ...
著者Singh, R.K, Gourinath, S.
登録日2013-11-11
公開日2014-10-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structures and kinetics of Type III 3-phosphoglycerate dehydrogenase reveal catalysis by lysine.
Febs J., 281, 2014
5ZF8
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BU of 5zf8 by Molmil
Structure of human dihydroorotate dehydrogenase in complex with 277-11-OAc
分子名称: (2S,3E,7E)-9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,7-dimethylnona-3,7-dien-2-yl acetate, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K.
登録日2018-03-02
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
7Y9P
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BU of 7y9p by Molmil
Xylitol dehydrogenase S96C/S99C/Y102C mutant(thermostabilized form) from Pichia stipitis
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
著者Yoshiwara, K, Watanabe, Y, Watanabe, S.
登録日2022-06-25
公開日2023-02-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular evolutionary insight of structural zinc atom in yeast xylitol dehydrogenases and its application in bioethanol production by lignocellulosic biomass.
Sci Rep, 13, 2023
6CVC
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BU of 6cvc by Molmil
Mycobacterium marinum cytochrome P450 CYP124A1 in the substrate-free form
分子名称: Cytochrome P450 124A1, Cyp124A1, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Child, S.A, Bruning, J.B, Bell, S.G.
登録日2018-03-27
公開日2019-03-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A comparison of the steroid binding cytochrome P450s from Mycobacterium marinum and Mycobacterium tuberculosis
To Be Published
3EJL
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BU of 3ejl by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, PHOSPHATE ION, Thymidylate synthase
著者Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
登録日2008-09-18
公開日2010-03-02
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
4NHP
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BU of 4nhp by Molmil
X-ray structure of the complex between the hen egg white lysozyme and pentachlorocarbonyliridate (III) (4 days)
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A.
登録日2013-11-05
公開日2014-09-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
3KHM
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BU of 3khm by Molmil
Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with inhibitor fluconazole
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14 alpha-demethylase
著者Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R.
登録日2009-10-30
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
4NHT
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BU of 4nht by Molmil
X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (6 days)
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A.
登録日2013-11-05
公開日2014-09-17
最終更新日2015-06-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
2GVV
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BU of 2gvv by Molmil
Structure of diisopropyl fluorophosphatase (DFPase) in complex with dicyclopentylphosphoroamidate (DcPPA)
分子名称: CALCIUM ION, DICYCLOPENTYL PHOSPHORAMIDATE, Phosphotriesterase
著者Chen, J.C.H, Blum, M.M.
登録日2006-05-03
公開日2006-09-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Binding of a designed substrate analogue to diisopropyl fluorophosphatase: implications for the phosphotriesterase mechanism.
J.Am.Chem.Soc., 128, 2006
3KHU
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BU of 3khu by Molmil
Crystal structure of human UDP-glucose dehydrogenase Glu161Gln, in complex with thiohemiacetal intermediate
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, UDP-glucose 6-dehydrogenase, ...
著者Chaikuad, A, Egger, S, Yue, W.W, Guo, K, Sethi, R, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Kavanagh, K.L, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2009-10-30
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Kinetic Evidence That Catalytic Reaction of Human UDP-glucose 6-Dehydrogenase Involves Covalent Thiohemiacetal and Thioester Enzyme Intermediates.
J.Biol.Chem., 287, 2012
6CVM
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BU of 6cvm by Molmil
Atomic resolution cryo-EM structure of beta-galactosidase
分子名称: 2-phenylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, MAGNESIUM ION, ...
著者Subramaniam, S, Bartesaghi, A, Banerjee, S, Zhu, X, Milne, J.L.S.
登録日2018-03-28
公開日2018-05-30
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (1.9 Å)
主引用文献Atomic Resolution Cryo-EM Structure of beta-Galactosidase.
Structure, 26, 2018
5ZH9
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BU of 5zh9 by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II (Y88F)
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION
著者Zhang, X, Wan, Q.
登録日2018-03-12
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal Structures of Mutant Endo-beta-1,4-xylanase II
To be published
4NMC
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BU of 4nmc by Molmil
Crystal structure of oxidized proline utilization A (PutA) from Geobacter sulfurreducens PCA complexed with Zwittergent 3-12
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE, ...
著者Singh, H, Tanner, J.J.
登録日2013-11-14
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Structures of the PutA peripheral membrane flavoenzyme reveal a dynamic substrate-channeling tunnel and the quinone-binding site.
Proc.Natl.Acad.Sci.USA, 111, 2014
2X2J
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BU of 2x2j by Molmil
Crystal structure of the Gracilariopsis lemaneiformis alpha- 1,4-glucan lyase with deoxynojirimycin
分子名称: 1-DEOXYNOJIRIMYCIN, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, CHLORIDE ION, ...
著者Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W.
登録日2010-01-13
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism.
J.Biol.Chem., 288, 2013
5ZIW
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BU of 5ziw by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase(Y77F)
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION
著者Zhang, X, Wan, Q.
登録日2018-03-17
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of Endo-beta-1,4-xylanase II
to be published
4S0Z
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BU of 4s0z by Molmil
Crystal structure of M26V human DJ-1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Protein DJ-1
著者Milkovic, N.M, Wilson, M.A.
登録日2015-01-07
公開日2015-08-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Transient sampling of aggregation-prone conformations causes pathogenic instability of a parkinsonian mutant of DJ-1 at physiological temperature.
Protein Sci., 24, 2015
6CXV
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BU of 6cxv by Molmil
Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide
分子名称: 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ...
著者Lewis-Ballester, A, Yeh, S.-R, Karkashon, S, Batabyal, D, Poulos, T.L.
登録日2018-04-04
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
5ZI2
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BU of 5zi2 by Molmil
MDH3 wild type, nad-form
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Moriyama, S, Nishio, K, Mizushima, T.
登録日2018-03-14
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of glyoxysomal malate dehydrogenase (MDH3) from Saccharomyces cerevisiae.
Acta Crystallogr F Struct Biol Commun, 74, 2018

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