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6E6S
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1.45 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) R26E/K46Y mutant from Pseudomonas aeruginosa
分子名称: Bacterioferritin-associated ferredoxin, FE2/S2 (INORGANIC) CLUSTER
著者Lovell, S, Wijerathne, H, Battaile, K.P, Yao, H, Wang, Y, Rivera, M.
登録日2018-07-25
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Bfd, a New Class of [2Fe-2S] Protein That Functions in Bacterial Iron Homeostasis, Requires a Structural Anion Binding Site.
Biochemistry, 57, 2018
6T1D
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BU of 6t1d by Molmil
Pleurotus Ostreatus Lectin (POL), compelx with melibiose
分子名称: CALCIUM ION, Lectin, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose
著者Destefanis, L, Perduca, M, Bovi, M, Monaco, H.L, Capaldi, S.
登録日2019-10-04
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and properties of the oyster mushroom (Pleurotus ostreatus) lectin.
Glycobiology, 30, 2020
6EAA
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BU of 6eaa by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6i) and catalytic zinc ion
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者Drinkwater, N, McGowan, S.
登録日2018-08-02
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6QJK
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BU of 6qjk by Molmil
Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group P43
分子名称: Disks large homolog 4, GLYCEROL, SULFATE ION
著者Camara-Artigas, A.
登録日2019-01-24
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.046 Å)
主引用文献Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95.
Acta Crystallogr D Struct Biol, 75, 2019
6G74
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BU of 6g74 by Molmil
Structure of the Y21F variant of quinolinate synthase in complex with phthalate
分子名称: IRON/SULFUR CLUSTER, PHTHALIC ACID, Quinolinate synthase A
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2018-04-04
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
6G8P
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BU of 6g8p by Molmil
14-3-3sigma in complex with a P129beta3P and L132beta3L mutated YAP pS127 phosphopeptide
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G.
登録日2018-04-09
公開日2019-04-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins.
Chem.Commun.(Camb.), 55, 2019
6QLA
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BU of 6qla by Molmil
CRYSTAL STRUCTURE OF THE PMGL2 ESTERASE (point mutant 1) FROM PERMAFROST METAGENOMIC LIBRARY
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CHLORIDE ION, MAGNESIUM ION, ...
著者Boyko, K.M, Garsia, D, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O.
登録日2019-01-31
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystal structure of PMGL2 esterase from the hormone-sensitive lipase family with GCSAG motif around the catalytic serine.
Plos One, 15, 2020
6QFH
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Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK144.
分子名称: 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6
著者Thorpe, J.H.
登録日2019-01-10
公開日2019-05-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
6SM0
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BU of 6sm0 by Molmil
Venus 66 p-Azido-L-Phenylalanin (azF) variant, dark grown
分子名称: Green fluorescent protein, OXYGEN MOLECULE, SULFATE ION, ...
著者Rizkallah, P.J, Al Maslookhi, H.S, Jones, D.D.
登録日2019-08-21
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Stalling chromophore synthesis of the fluorescent protein Venus reveals the molecular basis of the final oxidation step.
Chem Sci, 12, 2021
6SMS
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BU of 6sms by Molmil
Vegetative Insecticidal Protein 1 (Vip1Ac1) from Bacillus thuringiensis
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, SULFATE ION, ...
著者Rizkallah, P.J, Al-Maslookhi, H.S, Berry, C, Jones, D.
登録日2019-08-22
公開日2021-02-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Bacillus thuringiensis insecticidal protein 1Ac, VIP1Ac
Not Published
6GD8
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BU of 6gd8 by Molmil
Cytochrome c in complex with Sulfonato-calix[8]arene, P31 form
分子名称: Cytochrome c iso-1, HEME C, sulfonato-calix[8]arene
著者Rennie, M.L, Fox, G.C, Crowley, P.B.
登録日2018-04-23
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
6G8L
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BU of 6g8l by Molmil
14-3-3sigma in complex with a L132beta3L mutated YAP pS127 phosphopeptide
分子名称: 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-ALA-SER-BLE-GLN, CHLORIDE ION, ...
著者Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G.
登録日2018-04-09
公開日2019-04-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins.
Chem.Commun.(Camb.), 55, 2019
6STT
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BU of 6stt by Molmil
Adenovirus 29 Fiber Knob protein in complex with Sialic acid
分子名称: Fiber, N-acetyl-alpha-neuraminic acid
著者Baker, A.T, Mundy, R.M, Rizkallah, P.J, Parker, A.L.
登録日2019-09-11
公開日2021-03-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Broad sialic acid usage amongst species D human adenovirus
npj Viruses, 1, 2023
6STV
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BU of 6stv by Molmil
Adenovirus 29 Fiber Knob protein
分子名称: Fiber, GLYCEROL, PHOSPHATE ION
著者Mundy, R.M, Baker, A.T, Rizkallah, P.J, Parker, A.L.
登録日2019-09-11
公開日2021-03-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Broad sialic acid usage amongst species D human adenovirus
npj Viruses, 1, 2023
6STW
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BU of 6stw by Molmil
Adenovirus 15 Fiber Knob protein
分子名称: Fiber protein
著者Mundy, R.M, Baker, A.T, Rizkallah, P.J, Parker, A.L.
登録日2019-09-11
公開日2021-03-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Broad sialic acid usage amongst species D human adenovirus
npj Viruses, 1, 2023
6SX8
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BU of 6sx8 by Molmil
Mopeia Virus Exonuclease domain complexed with Manganese
分子名称: MANGANESE (II) ION, Nucleoprotein, ZINC ION
著者Nguyen, T.H.V, Ferron, F.
登録日2019-09-25
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibition of Arenaviridae nucleoprotein exonuclease by bisphosphonate
Iucrj, 2022
6T1T
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BU of 6t1t by Molmil
Cytochrome P450 reductase in complex with NADPH from Candida tropicalis
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Opperman, D.J, Sewell, B.T.
登録日2019-10-06
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Biochemical and structural insights into the cytochrome P450 reductase from Candida tropicalis.
Sci Rep, 9, 2019
6T5Y
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BU of 6t5y by Molmil
Crystal structure of AmpC from E.coli with Zidebactam (WCK 5107)
分子名称: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, Beta-lactamase, CHLORIDE ION, ...
著者Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
6TCA
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BU of 6tca by Molmil
Phosphorylated p38 and MAPKAPK2 complex with inhibitor
分子名称: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
著者Sok, P, Remenyi, A.
登録日2019-11-05
公開日2020-07-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases.
Structure, 28, 2020
6T3C
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BU of 6t3c by Molmil
Crystal structure of PI3Kgamma in complex with DNA-PK inhibitor AZD7648
分子名称: 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E.
登録日2019-10-10
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
6G94
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BU of 6g94 by Molmil
Structure of E. coli hydrogenase-1 C19G variant in complex with cytochrome b
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2018-04-10
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray structural, functional and computational studies of the O2-sensitive E. coli hydrogenase-1 C19G variant reveal an unusual [4Fe-4S] cluster.
Chem. Commun. (Camb.), 54, 2018
6DE6
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BU of 6de6 by Molmil
2.1 A resolution structure of histamine dehydrogenase from Rhizobium sp. 4-9
分子名称: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Histamine dehydrogenase, ...
著者Goyal, P, Lovell, S, Richter, M.
登録日2018-05-11
公開日2019-05-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Rhizobium sp. 4-9 histamine dehydrogenase and analysis of the electron transfer pathway to an abiological electron acceptor.
Arch.Biochem.Biophys., 2023
6DPY
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BU of 6dpy by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6GBN
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BU of 6gbn by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Cytophaga hutchinsonii in complex with adenosine
分子名称: ADENOSINE, Adenosylhomocysteinase, DI(HYDROXYETHYL)ETHER, ...
著者Czyrko, J, Jaskolski, M, Brzezinski, K.
登録日2018-04-15
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of S-adenosyl-L-homocysteine hydrolase from Cytophaga hutchinsonii, a case of combination of crystallographic and non-crystallographic symmetry.
Croatica Chemica Acta, 91, 2018
6FU2
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BU of 6fu2 by Molmil
ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus in complex with PRPP and ATP
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
登録日2018-02-26
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018

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