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2INR
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BU of 2inr by Molmil
Crystal structure of a 59 kDa fragment of topoisomerase IV subunit A (GrlA) from Staphylococcus aureus
分子名称: 1,2-ETHANEDIOL, DNA topoisomerase 4 subunit A
著者Carr, S.B.
登録日2006-10-09
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a 59 kDa fragment of topoisomerase IV subunit A (GrlA) from Staphylococcus aureus
To be Published
2BXQ
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BU of 2bxq by Molmil
Human serum albumin complexed with myristate, phenylbutazone and indomethacin
分子名称: 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, INDOMETHACIN, MYRISTIC ACID, ...
著者Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S.
登録日2005-07-26
公開日2005-09-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
5YJH
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BU of 5yjh by Molmil
Structural insights into periostin functions
分子名称: CALCIUM ION, CHLORIDE ION, MAGNESIUM ION, ...
著者Liu, H, Liu, J, Xu, F.
登録日2017-10-10
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.957 Å)
主引用文献Structural characterizations of human periostin dimerization and cysteinylation.
FEBS Lett., 592, 2018
6SJ2
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BU of 6sj2 by Molmil
Amidohydrolase, AHS with 3-HAA
分子名称: 3-HYDROXYANTHRANILIC ACID, Amidohydrolase, GLYCEROL, ...
著者Naismith, J.H, Song, H.
登録日2019-08-12
公開日2020-01-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
3A73
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BU of 3a73 by Molmil
Crystal Structure Analysis of Human serum albumin complexed with delta 12-prostaglandin J2
分子名称: (5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid, MYRISTIC ACID, Serum albumin
著者Ito, S.
登録日2009-09-11
公開日2010-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Delta12-prostaglandin J2 as a product and ligand of human serum albumin: formation of an unusual covalent adduct at His146.
J.Am.Chem.Soc., 132, 2010
2RI3
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BU of 2ri3 by Molmil
Crystal structure of the 3-MBT repeats from human L3MBTL1 with N358Q point mutation
分子名称: DI(HYDROXYETHYL)ETHER, Lethal(3)malignant brain tumor-like protein
著者Li, H, Patel, D.J.
登録日2007-10-10
公開日2007-12-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Lower Lysine Methylation State-Specific Readout by MBT Repeats of L3MBTL1 and an Engineered PHD Finger.
Mol.Cell, 28, 2007
2IN8
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BU of 2in8 by Molmil
crystal structure of Mtu recA intein, splicing domain
分子名称: Endonuclease PI-MtuI, SULFATE ION
著者Van Roey, P.
登録日2006-10-06
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic and mutational studies of Mycobacterium tuberculosis recA mini-inteins suggest a pivotal role for a highly conserved aspartate residue.
J.Mol.Biol., 367, 2007
7ANT
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BU of 7ant by Molmil
Structure of CYP153A from Polaromonas sp.
分子名称: 1,2-ETHANEDIOL, Cytochrome P450, HEME C
著者Zukic, E, Rowlinson, B, Sharma, M, Hoffman, S, Hauer, B, Grogan, G.
登録日2020-10-12
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
6SMY
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BU of 6smy by Molmil
Crystal structure of SLA Reductase YihU from E. Coli with NADH and product DHPS
分子名称: (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid, 3-sulfolactaldehyde reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Sharma, M, Davies, G.J.
登録日2019-08-23
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Dynamic Structural Changes Accompany the Production of Dihydroxypropanesulfonate by Sulfolactaldehyde Reductase
Acs Catalysis, 2020
7B73
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BU of 7b73 by Molmil
Insight into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Short-chain dehydrogenase/reductase SDR
著者Wessel, J, Petrillo, G, Estevez, M, Bosh, S, Seeger, M, Dijkman, W.P, Hidalgo, A, Uson, I, Osuna, S, Schallmey, A.
登録日2020-12-09
公開日2021-04-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.
Febs J., 288, 2021
7AO7
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BU of 7ao7 by Molmil
Structure of CYP153A from Polaromonas sp. in complex with octan-1-ol
分子名称: Cytochrome P450, OCTAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE
著者Zukic, E, Rowlinson, B, Sharma, M, Hoffmann, S, Hauer, B, Grogan, G.
登録日2020-10-13
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
5BUC
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BU of 5buc by Molmil
Oxidized quinone reductase 2 in complex with ethidium
分子名称: ETHIDIUM, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Leung, K.K, Shilton, B.H.
登録日2015-06-03
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.867 Å)
主引用文献Structure of quinone reductase 2 in complex with DNA intercalating agents
to be published
2M7Q
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BU of 2m7q by Molmil
Solution structure of TAX1BP1 UBZ1+2
分子名称: Tax1-binding protein 1, ZINC ION
著者Ceregido, M.A, Spinola Amilibia, M, Buts, L, Bravo, J, van Nuland, N.A.J.
登録日2013-04-29
公開日2013-12-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The structure of TAX1BP1 UBZ1+2 provides insight into target specificity and adaptability.
J.Mol.Biol., 426, 2014
5ANV
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BU of 5anv by Molmil
MTH1 in complex with compound 15
分子名称: 4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
著者Read, J.A, Breed, J.
登録日2015-09-08
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
2LX9
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BU of 2lx9 by Molmil
Solution Structure of Escherichia coli Ferrous Iron transport protein A (FeoA)
分子名称: Ferrous iron transport protein A
著者Lau, C.K.Y, Ishida, H, Liu, Z, Vogel, H.J.
登録日2012-08-16
公開日2012-11-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of Escherichia coli FeoA and Its Potential Role in Bacterial Ferrous Iron Transport.
J.Bacteriol., 195, 2013
7AV4
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BU of 7av4 by Molmil
Dark state structure of the C432S mutant of Fatty Acid Photodecarboxylase (FAP)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
著者Schlichting, I, Hartmann, E, Arnoux, P, Sorigue, D, Beisson, F.
登録日2020-11-04
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.936 Å)
主引用文献Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
6SS4
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BU of 6ss4 by Molmil
Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0021181
分子名称: Arginase-2, mitochondrial, Fab C0021181 heavy chain (IgG1), ...
著者Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
登録日2019-09-06
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
5APC
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BU of 5apc by Molmil
Hen Egg White Lysozyme illuminated with 0.4THz radiation
分子名称: LYSOZYME C, SODIUM ION
著者Lundholm, I, Rodilla, H, Wahlgren, W.Y, Duelli, A, Bourenkov, G, Vukusic, J, Friedman, R, Stake, J, Schneider, T, Katona, G.
登録日2015-09-15
公開日2016-01-13
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Terahertz Radiation Induces Non-Thermal Structural Changes Associated with Frohlich Condensation in a Protein Crystal
Struct.Dyn., 2, 2015
5AQ1
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BU of 5aq1 by Molmil
Trypanosoma cruzi Glucose-6-phosphate Dehydrogenase in complex with G6P and NADPH
分子名称: 6-O-phosphono-beta-D-glucopyranose, GLUCOSE-6-PHOSPHATE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Mercaldi, G.F, Dawson, A, Hunter, W.N, Cordeiro, A.T.
登録日2015-09-18
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The Structure of a Trypanosoma Cruzi Glucose-6-Phosphate Dehydrogenase Reveals Differences from the Mammalian Enzyme.
FEBS Lett., 590, 2016
5B3L
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BU of 5b3l by Molmil
C101S mutant of Flavodoxin from Pseudomonas aeruginosa
分子名称: SULFATE ION, Uncharacterized protein PA3435
著者Okada, D, Nakanishi, T, Kitamura, M.
登録日2016-03-04
公開日2017-03-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献C101S mutant of Flavodoxin from Pseudomonas aeruginosa
To Be Published
6SAV
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BU of 6sav by Molmil
Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, CALCIUM ION, ...
著者Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tianqi, S, Andersen, C, Davies, G.J, Wilson, K.S.
登録日2019-07-17
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance.
Int J Mol Sci, 20, 2019
2J7T
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BU of 2j7t by Molmil
Crystal structure of human serine threonine kinase-10 bound to SU11274
分子名称: (3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE, ACETATE ION, CALCIUM ION, ...
著者Pike, A.C.W, Rellos, P, Fedorov, O, Das, S, Debreczeni, J, Sobott, F, Watt, S, Savitsky, P, Eswaran, J, Turnbull, A.P, Papagrigoriou, E, Ugochukwa, E, Gorrec, F, Umeano, C.C, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S.
登録日2006-10-17
公開日2006-11-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
5B4J
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BU of 5b4j by Molmil
Crystal structure of I86D mutant of phycocyanobilin:ferredoxin oxidoreductase in complex with biliverdin (data 3)
分子名称: BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase
著者Hagiwara, Y, Wada, K, Irikawa, T, Unno, M, Fukuyama, K, Sugishima, M.
登録日2016-04-04
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Atomic-resolution structure of the phycocyanobilin:ferredoxin oxidoreductase I86D mutant in complex with fully protonated biliverdin
FEBS Lett., 590, 2016
2RHZ
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BU of 2rhz by Molmil
Crystal structure of the 3-MBT repeats from human L3MBTL1 with D355N point mutation
分子名称: DI(HYDROXYETHYL)ETHER, Lethal(3)malignant brain tumor-like protein
著者Li, H, Patel, D.J.
登録日2007-10-09
公開日2007-12-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Lower Lysine Methylation State-Specific Readout by MBT Repeats of L3MBTL1 and an Engineered PHD Finger.
Mol.Cell, 28, 2007
5WBZ
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BU of 5wbz by Molmil
Structure of human Ketohexokinase complexed with hits from fragment screening
分子名称: 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ...
著者Pandit, J.
登録日2017-06-29
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017

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件を2024-08-21に公開中

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