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5ING
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BU of 5ing by Molmil
A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender unit
分子名称: Putative carboxyl transferase
著者Valentic, T.R, Ray, L, Miyazawa, T, Song, L, Withall, D.M, Milligan, J.C, Takahashi, S, Osada, H, Tsai, S.C, Challis, G.L.
登録日2016-03-07
公開日2016-12-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
5XIW
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BU of 5xiw by Molmil
Crystal structure of T2R-TTL-Colchicine complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-04-27
公開日2018-04-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
5IIC
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BU of 5iic by Molmil
Crystal structure of red abalone VERL repeat 3 at 2.9 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Vitelline envelope sperm lysin receptor, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Sadat Al-Hosseini, H, Raj, I, Nishimura, K, Jovine, L.
登録日2016-03-01
公開日2017-06-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
4Y0D
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BU of 4y0d by Molmil
Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
分子名称: (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ...
著者Rui, W, Ruslan, S, Hyunbeom, L, Emma, H.D, Jose, I.J, Neil, K, Richard, B.S, Dali, L.
登録日2015-02-05
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Mechanism of inactivation of gamma-aminobutyric acid aminotransferase by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
J. Am. Chem. Soc., 2015
5XP3
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BU of 5xp3 by Molmil
Crystal structure of apo T2R-TTL
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-05-31
公開日2017-10-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
5INF
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BU of 5inf by Molmil
Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics
分子名称: Carboxyl transferase, HEXANOYL-COENZYME A
著者Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Osada, H, Tsai, S.C, Challis, G.L.
登録日2016-03-07
公開日2016-12-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.751 Å)
主引用文献A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
5LPX
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BU of 5lpx by Molmil
Crystal structure of PKC phosphorylation-mimicking mutant (S26E) Annexin A2
分子名称: Annexin A2, CALCIUM ION, GLYCEROL
著者Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L.
登録日2016-08-15
公開日2017-07-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.
Structure, 25, 2017
2BSC
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BU of 2bsc by Molmil
E. coli F17a-G lectin domain complex with N-acetylglucosamine, high- resolution structure
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F17A-G ADHESIN
著者Buts, L, Wellens, A, Van Molle, I, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, De Greve, H, Bouckaert, J.
登録日2005-05-20
公開日2006-05-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Impact of Natural Variation in Bacterial F17G Adhesins on Crystallization Behaviour.
Acta Crystallogr.,Sect.D, 61, 2005
1R37
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BU of 1r37 by Molmil
Alcohol dehydrogenase from sulfolobus solfataricus complexed with NAD(H) and 2-ethoxyethanol
分子名称: 2-ETHOXYETHANOL, NAD-dependent alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Esposito, L, Bruno, I, Sica, F, Raia, C.A, Giordano, A, Rossi, M, Mazzarella, L, Zagari, A.
登録日2003-09-30
公開日2004-02-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus
Biochemistry, 42, 2003
5B88
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BU of 5b88 by Molmil
RRM-like domain of DEAD-box protein, CsdA
分子名称: ATP-dependent RNA helicase DeaD
著者Xu, L, Peng, J, Zhang, J, Wu, J, Tang, Y, Shi, Y.
登録日2016-06-13
公開日2017-05-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
2BKL
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BU of 2bkl by Molmil
Structural and Mechanistic Analysis of Two Prolyl Endopeptidases: Role of Inter-Domain Dynamics in Catalysis and Specificity
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE, PROLYL ENDOPEPTIDASE, ...
著者Khosla, C, Shan, L, Mathews, I.I.
登録日2005-02-16
公開日2005-03-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Mechanistic Analysis of Two Prolyl Endopeptidases: Role of Interdomain Dynamics in Catalysis and Specificity
Proc.Natl.Acad.Sci.USA, 102, 2005
4Y0H
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BU of 4y0h by Molmil
Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
分子名称: 4-aminobutyrate aminotransferase, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ...
著者Rui, W, Ruslan, S, Hyunbeom, L, Emma, H.D, Jose, I.J, Neil, K, Richard, B.S, Dali, L.
登録日2015-02-06
公開日2015-03-11
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Mechanism of inactivation of gamma-aminobutyric acid aminotransferase by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
J. Am. Chem. Soc., 2015
7TD5
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BU of 7td5 by Molmil
Structure of human PRC2-EZH1 containing phosphorylated SUZ12
分子名称: Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, Polycomb protein SUZ12, ...
著者Gong, L, Jiao, L, Liu, X.
登録日2021-12-30
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.994 Å)
主引用文献CK2-mediated phosphorylation of SUZ12 promotes PRC2 function by stabilizing enzyme active site.
Nat Commun, 13, 2022
5CD3
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BU of 5cd3 by Molmil
Structure of immature VRC01-class antibody DRVIA7
分子名称: DRVIA7 Heavy Chain, DRVIA7 Light Chain
著者Kong, L, Wilson, I.A.
登録日2015-07-02
公開日2016-04-06
最終更新日2018-09-05
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
4XSK
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BU of 4xsk by Molmil
Structure of PAItrap, an uPA mutant
分子名称: GLYCEROL, SULFATE ION, TRIETHYLENE GLYCOL, ...
著者Gong, L, Proulle, V, Hong, Z, Lin, Z, Liu, M, Yuan, C, Lin, L, Furie, B, Flaumenhaft, R, Andreasen, P, Furie, B, Huang, M.
登録日2015-01-22
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of PAItrap, an uPA mutant
To Be Published
2BS8
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BU of 2bs8 by Molmil
Crystal structure of F17b-G in complex with N-acetyl-D-glucosamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADHESIN
著者Buts, L, Wellens, A, VanMolle, I, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, DeGreve, H, Bouckaert, J.
登録日2005-05-18
公開日2005-08-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Impact of Natural Variation in Bacterial F17G Adhesins on Crystallization Behaviour.
Acta Crystallogr.,Sect.D, 61, 2005
2BVT
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BU of 2bvt by Molmil
The structure of a modular endo-beta-1,4-mannanase from Cellulomonas fimi explains the product specificity of glycoside hydrolase family 26 mannanases.
分子名称: BETA-1,4-MANNANASE, CACODYLATE ION, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
著者Le Nours, J, Anderson, L, Stoll, D, Stalbrand, H, Lo Leggio, L.
登録日2005-07-04
公開日2005-09-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Structure and Characterization of a Modular Endo-Beta-1,4-Mannanase from Cellulomonas Fimi
Biochemistry, 44, 2005
5JDI
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BU of 5jdi by Molmil
Trypanosoma brucei PTR1 in complex with cofactor and inhibitor NMT-H024 (compound 2)
分子名称: 3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S.
登録日2016-04-16
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
8B0T
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BU of 8b0t by Molmil
SARS-CoV-2 Main Protease adduct with Au(PEt3)Br
分子名称: 3C-like proteinase nsp5, GOLD ION
著者Massai, L, Grifagni, D, De Santis, A, Geri, A, Calderone, V, Cantini, F, Banci, L, Messori, L.
登録日2022-09-08
公開日2022-12-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs.
Biomolecules, 12, 2022
8B0S
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BU of 8b0s by Molmil
SARS-COV-2 Main Protease adduct with Au(NHC)Cl
分子名称: 3C-like proteinase nsp5, GOLD ION
著者Massai, L, Grifagni, D, Desantis, A, Geri, A, Calderone, V, Cantini, F, Messori, L, Banci, L.
登録日2022-09-08
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs.
Biomolecules, 12, 2022
2BSB
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BU of 2bsb by Molmil
E. coli F17e-G lectin domain complex with N-acetylglucosamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F17G ADHESIN SUBUNIT
著者Buts, L, Wellens, A, Van Molle, I, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, De Greve, H, Bouckaert, J.
登録日2005-05-20
公開日2006-05-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Impact of Natural Variation in Bacterial F17G Adhesins on Crystallization Behaviour.
Acta Crystallogr.,Sect.D, 61, 2005
1X75
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BU of 1x75 by Molmil
CcdB:GyrA14 complex
分子名称: Cytotoxic protein ccdB, DNA gyrase subunit A
著者Dao-Thi, M.H, Van Melderen, L, De Genst, E, Wyns, L, Loris, R.
登録日2004-08-13
公開日2005-05-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular Basis of Gyrase Poisoning by the Addiction Toxin CcdB
J.Mol.Biol., 348, 2005
8GW1
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BU of 8gw1 by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
分子名称: Helicase, MANGANESE (II) ION, Non-structural protein 7, ...
著者Yan, L, Rao, Z, Lou, Z.
登録日2022-09-16
公開日2023-10-25
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
2CD7
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BU of 2cd7 by Molmil
Staphylococcus aureus pI258 arsenate reductase (ArsC) H62Q mutant
分子名称: PROTEIN ARSC, SODIUM ION
著者Buts, L, Roos, G, Van Belle, K, Brosens, E, Loris, R, Wyns, L, Messens, J.
登録日2006-01-23
公開日2006-06-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Interplay between Ion Binding and Catalysis in the Thioredoxin-Coupled Arsenate Reductase Family.
J.Mol.Biol., 360, 2006
5MSZ
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BU of 5msz by Molmil
Lytic Polysaccharide Monooxygenase AA15 from Thermobia domestica in the Cu(I) State
分子名称: 1,2-ETHANEDIOL, COPPER (I) ION, Thermobia domestica domestica AA15
著者Hemsworth, G.R, Sabbadin, F, Ciano, L, Henrissat, B, Dupree, P, Tryfona, T, Besser, K, Elias, L, Pesante, G, Li, Y, Dowle, A, Bates, R, Gomez, L, Hallam, R, Davies, G.J, Walton, P.H, Bruce, N.C, McQueen-Mason, S.
登録日2017-01-06
公開日2018-02-28
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献An ancient family of lytic polysaccharide monooxygenases with roles in arthropod development and biomass digestion.
Nat Commun, 9, 2018

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