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7P6X
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BU of 7p6x by Molmil
Cryo-Em structure of the hexameric RUVBL1-RUVBL2 in complex with ZNHIT2
分子名称: ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2
著者Llorca, O, Serna, M, Fernandez-Leiro, R.
登録日2021-07-18
公開日2021-12-15
最終更新日2023-01-25
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献CryoEM of RUVBL1-RUVBL2-ZNHIT2, a complex that interacts with pre-mRNA-processing-splicing factor 8.
Nucleic Acids Res., 50, 2022
8F5V
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BU of 8f5v by Molmil
Crystal structure of Mycobacterium tuberculosis Mycothiol S-transferase enzyme in complex with mycothiol and Zn2+
分子名称: Conserved protein, Mycothiol, ZINC ION
著者Jayasinghe, Y.P, Ronning, D.R.
登録日2022-11-15
公開日2023-04-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
8FX9
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BU of 8fx9 by Molmil
Crystal strucutre of Mycobacterium tuberculosis Mycothiol-S-transferase enzyme
分子名称: CHLORIDE ION, Mycothiol-S-transferase
著者Lindenberger, J.J, Jayasinghe, Y.P, Ronning, D.R.
登録日2023-01-24
公開日2023-04-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
2ZXX
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BU of 2zxx by Molmil
Crystal structure of Cdt1/geminin complex
分子名称: DNA replication factor Cdt1, Geminin
著者Cho, Y, Lee, C, Hong, B.S, Choi, J.M.
登録日2009-01-08
公開日2009-02-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for inhibition of the replication licensing factor Cdt1 by geminin
Nature, 430, 2004
7WWY
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BU of 7wwy by Molmil
M117L variant of Cu/Zn-superoxide dismutase from dog (Canis familiaris)
分子名称: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
著者Narikiyo, S, Furukawa, Y, Akutsu, M.
登録日2022-02-14
公開日2023-02-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Intrinsic structural vulnerability in the hydrophobic core induces species-specific aggregation of canine SOD1 with degenerative myelopathy-linked E40K mutation.
J.Biol.Chem., 299, 2023
7WWT
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BU of 7wwt by Molmil
Cu/Zn-superoxide dismutase from dog (Canis familiaris)
分子名称: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
著者Narikiyo, S, Furukawa, Y, Akutsu, M.
登録日2022-02-14
公開日2023-02-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Intrinsic structural vulnerability in the hydrophobic core induces species-specific aggregation of canine SOD1 with degenerative myelopathy-linked E40K mutation.
J.Biol.Chem., 299, 2023
7WX0
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BU of 7wx0 by Molmil
E40K variant of Cu/Zn-superoxide dismutase from dog (Canis familiaris)
分子名称: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
著者Narikiyo, S, Furukawa, Y, Akutsu, M.
登録日2022-02-14
公開日2023-02-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Intrinsic structural vulnerability in the hydrophobic core induces species-specific aggregation of canine SOD1 with degenerative myelopathy-linked E40K mutation.
J.Biol.Chem., 299, 2023
7WX1
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BU of 7wx1 by Molmil
E40K/M117L variant of Cu/Zn-superoxide dismutase from dog (Canis familiaris)
分子名称: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
著者Narikiyo, S, Furukawa, Y, Akutsu, M.
登録日2022-02-14
公開日2023-02-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Intrinsic structural vulnerability in the hydrophobic core induces species-specific aggregation of canine SOD1 with degenerative myelopathy-linked E40K mutation.
J.Biol.Chem., 299, 2023
6Z4H
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BU of 6z4h by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 2 in P21 space group
分子名称: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4L
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BU of 6z4l by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 9 in P21 space group
分子名称: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4G
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BU of 6z4g by Molmil
A4V mutant of human SOD1 bound with ebselen in P21 space group
分子名称: ACETATE ION, CHLORIDE ION, N-phenyl-2-selanylbenzamide, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z3V
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BU of 6z3v by Molmil
A4V mutant of human SOD1 bound with N-aryl benzoisoselenazolone derivative 13 in P21 space group
分子名称: 5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-22
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4I
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BU of 6z4i by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 3 in P21 space group
分子名称: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4O
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BU of 6z4o by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 1 in P21 space group
分子名称: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6LUT
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BU of 6lut by Molmil
Crystal structure of Serine Racemase from Dictyostelium discoideum.
分子名称: Probable serine racemase
著者Goto, M, Mizobuchi, T, Yoshimura, T.
登録日2020-01-31
公開日2020-12-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Mechanism of eukaryotic serine racemase-catalyzed serine dehydration.
Biochim Biophys Acta Proteins Proteom, 1868, 2020
3FZD
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BU of 3fzd by Molmil
Mutation of Asn28 disrupts the enzymatic activity and dimerization of SARS 3CLpro
分子名称: 3C-like proteinase
著者Barrila, J, Gabelli, S, Bacha, U, Amzel, L.M, Freire, E.
登録日2009-01-25
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Mutation of Asn28 disrupts the dimerization and enzymatic activity of SARS 3CL(pro) .
Biochemistry, 49, 2010
6FE6
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BU of 6fe6 by Molmil
Solution structure of a last generation P2-P4 macrocyclic inhibitor
分子名称: (3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide, Non-structural 3 protease, ZINC ION
著者Gallo, M, Eliseo, T, Cicero, D.O.
登録日2017-12-29
公開日2019-01-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of a last generation macrocyclic inhibitor. Hepatitis C virus NS3 protease complex: when S prime region occupancy is not enough to stabilize the protein conformation in the absence of NS4A.
To Be Published
4LVC
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BU of 4lvc by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenosine
分子名称: ACETATE ION, ADENOSINE, AMMONIUM ION, ...
著者Manszewski, T, Singh, K, Imiolczyk, B, Jaskolski, M.
登録日2013-07-26
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献An enzyme captured in two conformational states: crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii.
Acta Crystallogr.,Sect.D, 71, 2015
5W4G
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BU of 5w4g by Molmil
Importin binding to NLS peptide of DNA polymerase lambda
分子名称: DNA polymerase lambda, GLYCEROL, Importin subunit alpha-1, ...
著者Pedersen, L.C, London, R.E.
登録日2017-06-10
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.038 Å)
主引用文献Structure of Importin with bound NLS from DNA polymerase lambda
To Be Published
2NTD
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BU of 2ntd by Molmil
Human fibroblast growth factor-1 (140 amino acid form) with Cys117Val/Pro134Cys mutations
分子名称: Acidic fibroblast growth factor 1, FORMIC ACID
著者Dubey, V.K, Blaber, M.
登録日2006-11-07
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Spackling the Crack: Stabilizing Human Fibroblast Growth Factor-1 by Targeting the N and C terminus beta-Strand Interactions
J.Mol.Biol., 371, 2007
3FKR
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BU of 3fkr by Molmil
Structure of L-2-keto-3-deoxyarabonate dehydratase complex with pyruvate
分子名称: L-2-keto-3-deoxyarabonate dehydratase, PHOSPHATE ION, SODIUM ION
著者Shimada, N, Mikami, B.
登録日2008-12-17
公開日2010-02-02
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structural analysis of L -2-keto-3-deoxyarabonate dehydratase an enzyme involved in an alternative bacterial pathway of L-arabinose metabolism in complex with pyruvate
To be Published
5G0T
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BU of 5g0t by Molmil
InhA in complex with a DNA encoded library hit
分子名称: 1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Read, J.A, Breed, J.
登録日2016-03-22
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
4BPD
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BU of 4bpd by Molmil
Structure determination of an integral membrane kinase
分子名称: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, DIACYLGLYCEROL KINASE, ZINC ION
著者Li, D, Boland, C, Caffrey, M.
登録日2013-05-24
公開日2014-05-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Cell-Free Expression and in Meso Crystallisation of an Integral Membrane Kinase for Structure Determination.
Cell.Mol.Life Sci., 71, 2014
6R77
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BU of 6r77 by Molmil
Crystal structure of trans-3-Hydroxy-L-proline dehydratase in complex with substrate - closed conformation
分子名称: 3-HYDROXYPROLINE, Proline racemase
著者Ferraris, D.M, Miggiano, R, Rizzi, M.
登録日2019-03-28
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of Thermococcus litoralis trans-3-hydroxy-l-proline dehydratase in the free and substrate-complexed form.
Biochem.Biophys.Res.Commun., 516, 2019
3PI5
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BU of 3pi5 by Molmil
Crystal Structure of Human Beta Secretase in Complex with BFG356
分子名称: (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
著者Rondeau, J.M.
登録日2010-11-05
公開日2011-03-23
最終更新日2017-03-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011

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