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2K0T
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BU of 2k0t by Molmil
High Resolution Solution NMR Structures of Oxaliplatin-DNA Adduct
分子名称: CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3')
著者Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L.
登録日2008-02-14
公開日2009-02-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
2GVR
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BU of 2gvr by Molmil
Crystal structure of the berenil-D(CGCGAATTCGCG)2 complex at 1.65 A resolution.
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BERENIL, MAGNESIUM ION
著者Lee, M.P.H, Parkinson, G.N, Neidle, S.
登録日2006-05-03
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the berenil-D(CGCGAATTCGCG)2 complex at 1.65 A resolution.
To be Published
8EIY
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BU of 8eiy by Molmil
Cobalt(II)-substituted S48T Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, COBALT (II) ION, ...
著者Zheng, C, Mathews, I.I, Boxer, S.G.
登録日2022-09-15
公開日2023-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Enhanced active-site electric field accelerates enzyme catalysis.
Nat.Chem., 15, 2023
6MYU
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BU of 6myu by Molmil
Avian mitochondrial complex II crystallized in the presence of HQNO
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Berry, E.A, Huang, L.-S.
登録日2018-11-02
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
6V63
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BU of 6v63 by Molmil
SETD3 WT in Complex with an Actin Peptide with His73 Replaced with Glutamine
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Actin, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2019-12-04
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation.
J.Biol.Chem., 295, 2020
6PBD
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BU of 6pbd by Molmil
DNA N6-Adenine Methyltransferase CcrM In Complex with Double-Stranded DNA Oligonucleotide Containing Its Recognition Sequence GAATC
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*TP*CP*AP*AP*TP*GP*AP*AP*TP*CP*CP*CP*AP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*TP*GP*GP*GP*AP*TP*TP*CP*AP*TP*TP*GP*AP*AP*TP*C)-3'), ...
著者Horton, J.R, Cheng, X, Woodcock, C.B.
登録日2019-06-13
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.343 Å)
主引用文献The cell cycle-regulated DNA adenine methyltransferase CcrM opens a bubble at its DNA recognition site.
Nat Commun, 10, 2019
6VAX
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BU of 6vax by Molmil
Crystal structure of human SDHA-SDHAF2 assembly intermediate
分子名称: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M.
登録日2019-12-18
公開日2020-08-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献The roles of SDHAF2 and dicarboxylate in covalent flavinylation of SDHA, the human complex II flavoprotein.
Proc.Natl.Acad.Sci.USA, 117, 2020
8QN3
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BU of 8qn3 by Molmil
OPR3 wildtype in complex with NADH4
分子名称: 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, ...
著者Bijelic, A, Macheroux, P, Keschbaumer, B.
登録日2023-09-25
公開日2024-01-17
最終更新日2025-02-05
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Loop 6 and the beta-hairpin flap are structural hotspots that determine cofactor specificity in the FMN-dependent family of ene-reductases.
Febs J., 291, 2024
8SU7
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BU of 8su7 by Molmil
Crystal structure of Bacillus anthracis dihydroneopterin aldolase
分子名称: 1,2-ETHANEDIOL, 7,8-dihydroneopterin aldolase
著者Shaw, G.X, Li, Y, Yan, H, Ji, X.
登録日2023-05-11
公開日2023-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Bacillus anthracis dihydroneopterin aldolase
To be published
9C66
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BU of 9c66 by Molmil
Structure of the Mena EVH1 domain bound to the polyproline segment of PTP1B
分子名称: 1,2-ETHANEDIOL, Protein enabled homolog, SULFATE ION, ...
著者LaComb, L, Fedorov, E, Bonanno, J.B, Almo, S.C, Ghosh, A.
登録日2024-06-07
公開日2024-08-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Insights into the Interaction Landscape of the EVH1 Domain of Mena.
Biochemistry, 63, 2024
6VLT
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BU of 6vlt by Molmil
Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Shah, M.B.
登録日2020-01-25
公開日2020-09-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structure of Cytochrome P450 2C9*2 in Complex with Losartan: Insights into the Effect of Genetic Polymorphism.
Mol.Pharmacol., 98, 2020
7OFK
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BU of 7ofk by Molmil
Ligand complex of RORg LBD
分子名称: (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2021-05-05
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
8VKT
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BU of 8vkt by Molmil
Crystallographic structure of dimetalated DapE from Enterococcus faecium
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Probable succinyl-diaminopimelate desuccinylase, ...
著者Gonzalez-Segura, L, Diaz-Vilchis, A, Terrazas-Lopez, M, Diaz-Sanchez, A.G.
登録日2024-01-09
公開日2024-05-29
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献The three-dimensional structure of DapE from Enterococcus faecium reveals new insights into DapE/ArgE subfamily ligand specificity.
Int.J.Biol.Macromol., 270, 2024
6GJF
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BU of 6gjf by Molmil
Ancestral endocellulase Cel5A
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ENDOGLUCANASE, ...
著者Gavira, J.A, Perez-Jimenez, R, Barruetabena-Garate, N.
登録日2018-05-16
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Resurrection of efficient Precambrian endoglucanases for lignocellulosic biomass hydrolysis
Commun Chem, 2019
7OCU
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BU of 7ocu by Molmil
Mannitol-1-phosphate bound to the phosphatase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-N374A from Acinetobacter baumannii
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Tam, H.K, Mueller, V, Pos, K.M.
登録日2021-04-28
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Proc.Natl.Acad.Sci.USA, 119, 2022
6QAK
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BU of 6qak by Molmil
Structure of human ALDH9 in P21212 space group
分子名称: 1,2-ETHANEDIOL, 4-trimethylaminobutyraldehyde dehydrogenase
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2018-12-19
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Kinetic and structural analysis of human ALDH9A1.
Biosci.Rep., 39, 2019
6GSO
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BU of 6gso by Molmil
Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase Y132V,T157C variant
分子名称: 1,2-ETHANEDIOL, 2-dehydro-3-deoxy-phosphogluconate/2-dehydro-3-deoxy-6-phosphogalactonate aldolase, GLYCEROL
著者Crennell, S.J, Danson, M.J, Royer, S.
登録日2018-06-15
公開日2019-06-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase Y132V,T157C variant
To Be Published
8W06
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BU of 8w06 by Molmil
Crystal Structure of the reconstruction of the ancestral triosephosphate isomerase of the last opisthokont common ancestor obtained by maximum likelihood with PGH
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ACETIC ACID, ...
著者Perez-Nino, J.A, Rodriguez-Romero, A, Guerra-Borrego, Y, Fernandez-Velasco, D.A.
登録日2024-02-13
公開日2024-09-04
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Stable monomers in the ancestral sequence reconstruction of the last opisthokont common ancestor of dimeric triosephosphate isomerase.
Protein Sci., 33, 2024
6NNV
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BU of 6nnv by Molmil
PD-L1 IgV domain complex with macro-cyclic peptide
分子名称: Programmed cell death 1 ligand 1, macrocyclic peptide
著者Zhao, B, Perry, E.
登録日2019-01-15
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
8QT0
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BU of 8qt0 by Molmil
Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3
分子名称: 1,2-ETHANEDIOL, 3-dodecylsulfanyl-3-methyl-butanoic acid, DI(HYDROXYETHYL)ETHER, ...
著者Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M.
登録日2023-10-12
公開日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
8DYD
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BU of 8dyd by Molmil
Crystal structure of human SDHA-SDHAF2-SDHAF4 assembly intermediate
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M.
登録日2022-08-04
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners.
Nat Commun, 15, 2024
8DYE
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BU of 8dye by Molmil
Crystal structure of human SDHA-SDHAF4 assembly intermediate
分子名称: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M.
登録日2022-08-04
公開日2024-01-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners.
Nat Commun, 15, 2024
6NBL
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BU of 6nbl by Molmil
Cytochrome P450cam-putidaredoxin complex bound to camphor and cyanide
分子名称: 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione, CALCIUM ION, CAMPHOR, ...
著者Follmer, A.H, Tripathi, S.M, Poulos, T.L.
登録日2018-12-07
公開日2019-03-06
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Ligand and Redox Partner Binding Generates a New Conformational State in Cytochrome P450cam (CYP101A1).
J. Am. Chem. Soc., 141, 2019
6YNH
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BU of 6ynh by Molmil
GAPDH purified from the supernatant of HEK293F cells: crystal form 4 of 4
分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase
著者Roversi, P, Lia, A.
登録日2020-04-13
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.621 Å)
主引用文献Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid.
Wellcome Open Res, 5, 2020
8DFC
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BU of 8dfc by Molmil
CryoEM structure of the 1:1 ADP-tetrafluoroaluminate stabilized nitrogenase complex from Azotobacter vinelandii
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, ...
著者Warmack, R.A, Rees, D.C.
登録日2022-06-21
公開日2023-06-28
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Anaerobic cryoEM protocols for air-sensitive nitrogenase proteins.
Nat Protoc, 2024

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件を2025-10-15に公開中

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