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7AER
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Rebuilt and re-refined PDB entry 5yep: tri-AMPylated Shewanella oneidensis HEPN toxin in complex with MNT antitoxin
分子名称: ADENOSINE MONOPHOSPHATE, Toxin-antitoxin system antidote Mnt family, Toxin-antitoxin system toxin HepN family
著者Tamulaitiene, G, Sasnauskas, G, Songailiene, I, Juozapaitis, J, Siksnys, V.
登録日2020-09-18
公開日2020-12-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation.
Mol.Cell, 80, 2020
8FQ9
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BU of 8fq9 by Molmil
Crystal structure of a ligand-bound cation-site mutant D55C of a melibiose transporter
分子名称: Melibiose permease, PENTAETHYLENE GLYCOL, dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside
著者Guan, L.
登録日2023-01-05
公開日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of a ligand-bound cation-site mutant D55C of a melibiose transporter
To Be Published
6SZ6
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BU of 6sz6 by Molmil
Chaetomium thermophilum beta-glucosidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-glucosidase, ...
著者Mohsin, I, Poudel, N, Papageorgiou, A.C.
登録日2019-10-02
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.988 Å)
主引用文献Crystal Structure of a GH3 beta-Glucosidase from the Thermophilic Fungus Chaetomium thermophilum .
Int J Mol Sci, 20, 2019
7O07
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BU of 7o07 by Molmil
14-3-3sigma covalently bound to peptide (chloroacetamide-Cys interaction)
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, Transcriptional coactivator YAP1
著者Somsen, B.A, Ottmann, C.
登録日2021-03-25
公開日2021-10-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Covalent flexible peptide docking in Rosetta.
Chem Sci, 12, 2021
8D6K
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BU of 8d6k by Molmil
Sco GlgEI-V279S in complex with cyclohexyl carbasugar
分子名称: (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER
著者Jayasinghe, T.J, Ronning, D.R.
登録日2022-06-06
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Synthesis of C 7 /C 8 -cyclitols and C 7 N-aminocyclitols from maltose and X-ray crystal structure of Streptomyces coelicolor GlgEI V279S in a complex with an amylostatin GXG-like derivative.
Front Chem, 10, 2022
4YDX
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BU of 4ydx by Molmil
Crystal structure of cisplatin bound to a human copper chaperone (monomer) - new refinement
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, Copper transport protein ATOX1, PLATINUM (II) ION, ...
著者Shabalin, I.G, Boal, A.K, Dauter, Z, Jaskolski, M, Minor, W, Rosenzweig, A.C, Wlodawer, A.
登録日2015-02-23
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
4YEA
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BU of 4yea by Molmil
Crystal structure of cisplatin bound to a human copper chaperone (dimer) - new refinement
分子名称: COPPER (II) ION, Copper transport protein ATOX1, SULFATE ION
著者Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2015-02-23
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
6PT8
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BU of 6pt8 by Molmil
Crystal Structure of CobT from Methanocaldococcus jannaschii in complex with Adenine Alpha-Ribotide and Nicotinic Acid
分子名称: ALPHA-ADENOSINE MONOPHOSPHATE, NICOTINIC ACID, PHOSPHATE ION, ...
著者Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante, J.C, Rayment, I.
登録日2019-07-15
公開日2020-07-22
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
6PTF
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BU of 6ptf by Molmil
Crystal Structure of CobT from Methanocaldococcus jannaschii in Apo State
分子名称: UPF0284 protein MJ1598
著者Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I.
登録日2019-07-15
公開日2020-07-22
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
1O7A
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BU of 1o7a by Molmil
Human beta-Hexosaminidase B
分子名称: 1,2-ETHANEDIOL, 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Maier, T, Strater, N, Schuette, C, Klingenstein, R, Sandhoff, K, Saenger, W.
登録日2002-10-29
公開日2003-10-23
最終更新日2020-11-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The X-Ray Crystal Structure of Human Beta-Hexosaminidase B Provides New Insights Into Sandhoff Disease
J.Mol.Biol., 328, 2003
1Q9H
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BU of 1q9h by Molmil
3-Dimensional structure of native Cel7A from Talaromyces emersonii
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, cellobiohydrolase I catalytic domain
著者Grassick, A, Thompson, R, Murray, P.G, Collins, C.M, Byrnes, L, Tuohy, M.G, Birrane, G, Higgins, T.M.
登録日2003-08-25
公開日2004-11-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Three-dimensional structure of a thermostable native cellobiohydrolase, CBH IB, and molecular characterization of the cel7 gene from the filamentous fungus, Talaromyces emersonii
Eur.J.Biochem., 271, 2004
6CQA
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BU of 6cqa by Molmil
E. coli DHFR complex with inhibitor AMPQD
分子名称: 7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, SULFATE ION
著者Cao, H, Rodrigues, J, Benach, J, Wasserman, S, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J.
登録日2018-03-14
公開日2019-01-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
6CW7
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BU of 6cw7 by Molmil
E. coli DHFR product complex with (6S)-5,6,7,8-TETRAHYDROFOLATE
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, Dihydrofolate reductase, ...
著者Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J.
登録日2018-03-30
公開日2019-01-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
6CYV
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BU of 6cyv by Molmil
E. coli DHFR ternary complex with NADP and dihydrofolate
分子名称: DIHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J.
登録日2018-04-06
公開日2019-01-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
6CXK
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BU of 6cxk by Molmil
E. coli DHFR substrate complex with Dihydrofolate
分子名称: CHLORIDE ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ...
著者Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J.
登録日2018-04-03
公開日2019-01-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.108 Å)
主引用文献The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
6LH1
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BU of 6lh1 by Molmil
Crystal structure of a cysteine-pair mutant (Y113C-P190C) of a bacterial bile acid transporter trapped in an outward-facing conformation
分子名称: 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Transporter, ...
著者Wang, X, Lyu, Y, Ji, Y, Sun, Z, Zhou, X.
登録日2019-12-06
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.861 Å)
主引用文献An engineered disulfide bridge traps and validates an outward-facing conformation in a bile acid transporter.
Acta Crystallogr D Struct Biol, 77, 2021
7ZFM
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BU of 7zfm by Molmil
Engineered Protein Targeting the Zika Viral Envelope Fusion Loop
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, HEXAETHYLENE GLYCOL, ...
著者Athayde, D, Archer, M, Viana, I.F.T, Adan, W.C.S, Xavier, L.S.S, Lins, R.D.
登録日2022-04-01
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.711 Å)
主引用文献In Vitro Neutralisation of Zika Virus by an Engineered Protein Targeting the Viral Envelope Fusion Loop
SSRN, 2022
5MAL
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BU of 5mal by Molmil
Crystal structure of extracelular lipase from Streptomyces rimosus at 1.7A resolution
分子名称: Lipase
著者Stefanic, Z.
登録日2016-11-03
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.708 Å)
主引用文献Catalytic Dyad in the SGNH Hydrolase Superfamily: In-depth Insight into Structural Parameters Tuning the Catalytic Process of Extracellular Lipase from Streptomyces rimosus.
ACS Chem. Biol., 12, 2017
4XIH
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BU of 4xih by Molmil
Crystal structure of the R116A mutant AhpE from Mycobacterium tuberculosis
分子名称: AhpC/TSA family protein
著者Tamu Dufe, V, van Molle, I, Pallo, A, Messens, J.
登録日2015-01-07
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The active site architecture in peroxiredoxins: a case study on Mycobacterium tuberculosis AhpE.
Chem.Commun.(Camb.), 52, 2016
4XR5
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BU of 4xr5 by Molmil
X-ray structure of the unliganded thymidine phosphorylase from Salmonella typhimurium at 2.05 A resolution
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL, ...
著者Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M.
登録日2015-01-20
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Acta Crystallogr.,Sect.F, 72, 2016
7NC4
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BU of 7nc4 by Molmil
Crystal structure of human carbonic anhydrase VII (hCA VII) in complex with a 4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative.
分子名称: 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
著者Di Fiore, A, De Simone, G.
登録日2021-01-28
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design, synthesis and biochemical evaluation of novel carbonic anhydrase inhibitors triggered by structural knowledge on hCA VII.
Bioorg.Med.Chem., 44, 2021
4YEM
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BU of 4yem by Molmil
Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 0.9163A - new refinement
分子名称: ACETATE ION, BROMIDE ION, CHLORIDE ION, ...
著者Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2015-02-24
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
4YEN
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BU of 4yen by Molmil
Room temperature X-ray diffraction studies of cisplatin binding to HEWL in DMSO media after 14 months of crystal storage - new refinement
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
著者Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2015-02-24
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
4YEO
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Triclinic HEWL co-crystallised with cisplatin, studied at a data collection temperature of 150K - new refinement
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Cisplatin, ...
著者Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2015-02-24
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
7BUP
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BU of 7bup by Molmil
Crystal structure of PCNA from pathogenic yeast Candida albicans
分子名称: Proliferating cell nuclear antigen
著者sundaram, R, Vasudevan, D.
登録日2020-04-07
公開日2021-02-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural analyses of PCNA from the fungal pathogen Candida albicans identify three regions with species-specific conformations.
Febs Lett., 595, 2021

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