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6NMM
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BU of 6nmm by Molmil
Ternary complex structure of the T130K mutant of ANT-4 with Neomycin, AMPCPP and Pyrophosphate
分子名称: ADENOSINE MONOPHOSPHATE, Kanamycin nucleotidyltransferase, MAGNESIUM ION, ...
著者Cuneo, M.J, Selvaraj, B.
登録日2019-01-11
公開日2020-01-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献'Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction
Acs Catalysis, 2020
5AGD
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BU of 5agd by Molmil
An inactive (D125N) variant of the catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with alpha-1,6-mannopentaose
分子名称: ALPHA-1,6-MANNANASE, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose
著者Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Chandler, E, Temple, M.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J.
登録日2015-01-29
公開日2015-03-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Angew.Chem.Int.Ed.Engl., 54, 2015
7UXB
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BU of 7uxb by Molmil
Human triosephosphate isomerase mutant G122R
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Triosephosphate isomerase
著者Romero, J.M.
登録日2022-05-05
公開日2023-05-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human triosephosphate isomerase mutant G122R
To Be Published
6NN1
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BU of 6nn1 by Molmil
Xanthomonas citri PGM Apo-Dephospho
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, PHOSPHATE ION, ...
著者Stiers, K.M, Beamer, L.J.
登録日2019-01-14
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and dynamical description of the enzymatic reaction of a phosphohexomutase.
Struct Dyn., 6, 2019
8DVH
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BU of 8dvh by Molmil
Crystal structure of ATP-dependent Lon protease from Bacillus subtillis (BsLonBA)
分子名称: Lon protease 2, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, SODIUM ION
著者Sekula, B, Li, M, Gustchina, A, Wlodawer, A.
登録日2022-07-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unique Structural Fold of LonBA Protease from Bacillus subtilis, a Member of a Newly Identified Subfamily of Lon Proteases.
Int J Mol Sci, 23, 2022
8QC2
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BU of 8qc2 by Molmil
Crystal structure of NAD-dependent glycoside hydrolase from Flavobacterium sp. (strain K172) in complex with co-factor NAD+ and sulfoquinovose (SQ)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Pickles, I.B, Sharma, M, Davies, G.J.
登録日2023-08-25
公開日2023-12-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Widespread Family of NAD + -Dependent Sulfoquinovosidases at the Gateway to Sulfoquinovose Catabolism.
J.Am.Chem.Soc., 145, 2023
8QFL
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BU of 8qfl by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with iron
分子名称: ACETATE ION, Cysteine dioxygenase, FE (III) ION, ...
著者Vasseur, C.M, Seebeck, F.P.
登録日2023-09-04
公開日2023-12-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
8DL4
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BU of 8dl4 by Molmil
S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR
分子名称: 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ...
著者Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
登録日2022-07-06
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR
To Be Published
7NS9
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BU of 7ns9 by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with triphosphate and calcium
分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Vogt, M.S, Essen, L.-O, Banerjee, A.
登録日2021-03-05
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
6PZN
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BU of 6pzn by Molmil
Putative SDR from Acinetobacter baumannii Crystal Form 2
分子名称: 3-ketoacyl-ACP reductase
著者Cross, E.M, Aragao, D, Forwood, J.K.
登録日2019-08-01
公開日2019-08-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization of a short-chain dehydrogenase/reductase from multi-drug resistant Acinetobacter baumannii.
Biochem.Biophys.Res.Commun., 518, 2019
8QFN
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BU of 8qfn by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with manganese and in presence of catalase aerobic
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Cysteine dioxygenase, ...
著者Vasseur, C.M, Seebeck, F.P.
登録日2023-09-04
公開日2023-12-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
7UYA
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BU of 7uya by Molmil
Inhibitor bound VIM1
分子名称: (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
著者Fischmann, T.O, Scapin, G.
登録日2022-05-06
公開日2023-05-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
6W0E
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BU of 6w0e by Molmil
Open-gate KcsA soaked in 10 mM BaCl2
分子名称: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
著者Rohaim, A, Gong, L, Li, J.
登録日2020-02-29
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.512 Å)
主引用文献Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6BXS
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BU of 6bxs by Molmil
Crystal structure of Toxoplasma gondii Mitochondrial Association Factor 1 A (MAF1A)
分子名称: SULFATE ION, mitochondrial association factor 1
著者Ramaswamy, R, Boulanger, M.J.
登録日2017-12-18
公開日2018-12-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Toxoplasma gondii locus required for the direct manipulation of host mitochondria has maintained multiple ancestral functions.
Mol. Microbiol., 108, 2018
7U4M
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BU of 7u4m by Molmil
Crystal structure of human GPX4-U46C in complex with LOC1886
分子名称: 1,2-ETHANEDIOL, 4-methoxy-1H-indole-2-carbaldehyde, Phospholipid hydroperoxide glutathione peroxidase
著者Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R.
登録日2022-02-28
公開日2022-12-07
最終更新日2022-12-28
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
6Q0W
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BU of 6q0w by Molmil
Structure of DDB1-DDA1-DCAF15 complex bound to Indisulam and RBM39
分子名称: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ...
著者Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S.
登録日2019-08-02
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Nat.Chem.Biol., 16, 2020
8EDT
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BU of 8edt by Molmil
E. coli Pyruvate kinase (PykF) T462I
分子名称: Pyruvate kinase
著者Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
登録日2022-09-05
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
8RAF
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BU of 8raf by Molmil
Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis point mutant R90I (holo form)
分子名称: Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE
著者Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Bezsudnova, E.Y, Boyko, K.M.
登録日2023-12-01
公開日2023-12-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Multifunctionality of arginine residues in the active sites of non-canonical d-amino acid transaminases.
Arch.Biochem.Biophys., 756, 2024
7ULQ
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BU of 7ulq by Molmil
Recombinant Hannalgesin
分子名称: ACETATE ION, GLYCEROL, Long neurotoxin OH-55, ...
著者Xu, J, Lei, X, Chen, L.
登録日2022-04-05
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of recombinant Hannalgesin at 2.2 Angstroms resolution.
To Be Published
7NSD
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BU of 7nsd by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with ATP and calcium
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
著者Vogt, M.S, Essen, L.-O, Banerjee, A.
登録日2021-03-05
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
8QC6
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BU of 8qc6 by Molmil
Crystal Structure of NAD-dependent glycoside hydrolase from Arthrobacter sp. U41 in complex with NAD+ and sulfoquinovose (SQ)
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase, sulfoquinovose
著者Sharma, M, Davies, G.J.
登録日2023-08-25
公開日2023-12-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Widespread Family of NAD + -Dependent Sulfoquinovosidases at the Gateway to Sulfoquinovose Catabolism.
J.Am.Chem.Soc., 145, 2023
6Q2F
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BU of 6q2f by Molmil
Structure of Rhamnosidase from Novosphingobium sp. PP1Y
分子名称: Glycoside hydrolase family protein, SODIUM ION
著者Terry, B, Ha, J, Izzo, V, Sazinsky, M.H.
登録日2019-08-07
公開日2019-11-27
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.20000076 Å)
主引用文献The crystal structure and insight into the substrate specificity of the alpha-L rhamnosidase RHA-P from Novosphingobium sp. PP1Y.
Arch.Biochem.Biophys., 679, 2019
7UW3
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BU of 7uw3 by Molmil
Structure of SARS-CoV-2 Nucleocapsid Protein N-Terminal Domain
分子名称: Nucleoprotein
著者Calero, G.
登録日2022-05-02
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Atomic-Resolution Structure of SARS-CoV-2 Nucleocapsid Protein N-Terminal Domain.
J.Am.Chem.Soc., 144, 2022
7W6O
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BU of 7w6o by Molmil
Crystal structure of a PSH1 in complex with J1K
分子名称: 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-02
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
6NPE
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BU of 6npe by Molmil
C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide
分子名称: 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ...
著者campobasso, N.
登録日2019-01-17
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019

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件を2024-08-21に公開中

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