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4YE4
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Crystal Structure of Neutralizing Antibody HJ16 in Complex with HIV-1 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HT593.1 gp120, Heavy chain human antibody HJ16, ...
著者Kwong, P.D, Chen, L, Zhou, T.
登録日2015-02-23
公開日2015-07-22
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015
7MFH
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BU of 7mfh by Molmil
Crystal structure of BIO-32546 bound mouse Autotaxin
分子名称: (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chodaparambil, J.V.
登録日2021-04-09
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546.
Acs Med.Chem.Lett., 12, 2021
8VFK
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BU of 8vfk by Molmil
Crystal Structure of Delta 109-117 D-Dopachrome Tautomerase (D-DT)
分子名称: CITRATE ANION, D-dopachrome decarboxylase, SODIUM ION
著者Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
7RKL
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BU of 7rkl by Molmil
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with II399 (P1 space group)
分子名称: 3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide, NNMT protein, SULFATE ION
著者Yadav, R, Noinaj, N, Iyamu, I.D, Huang, R.
登録日2021-07-22
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Exploring Unconventional SAM Analogues To Build Cell-Potent Bisubstrate Inhibitors for Nicotinamide N-Methyltransferase.
Angew.Chem.Int.Ed.Engl., 61, 2022
8VFI
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BU of 8vfi by Molmil
Ternary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8OYR
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BU of 8oyr by Molmil
DNA Major Groove Binding by lambda-[Ru(phen)2(phi)]2+
分子名称: DNA (5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3'), STRONTIUM ION, ruthenium polypyridyl complex (lambda enantiomer)
著者Prieto-Otoya, T.D, Cardin, C.J, McQuaid, K.T, Paterson, N.G.
登録日2023-05-05
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Probing a Major DNA Weakness: Resolving the Groove and Sequence Selectivity of the Diimine Complex Lambda-[Ru(phen) 2 phi] 2.
Angew.Chem.Int.Ed.Engl., 63, 2024
4RGA
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BU of 4rga by Molmil
Phage 1358 receptor binding protein in complex with the trisaccharide GlcNAc-Galf-GlcOMe
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-galactofuranose-(1-6)-methyl alpha-D-glucopyranoside, Phage 1358 receptor binding protein (ORF20)
著者Spinelli, S, Mccabe, O, Farenc, C, Tremblay, D, Blangy, S, Oscarson, S, Moineau, S, Cambillau, C.
登録日2014-09-29
公開日2015-05-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The targeted recognition of Lactococcus lactis phages to their polysaccharide receptors.
Mol.Microbiol., 96, 2015
8VFF
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BU of 8vff by Molmil
Binary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(FAP))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
4YDI
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BU of 4ydi by Molmil
Crystal structure of broad and potently neutralizing VRC01-class antibody Z258-VRC27.01, isolated from human donor Z258, in complex with HIV-1 gp120 from clade A strain Q23.17
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
著者Zhou, T, Srivatsan, S, Kwong, P.D.
登録日2015-02-22
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.452 Å)
主引用文献Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015
8VFW
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BU of 8vfw by Molmil
Crystal Structure of V113N D-Dopachrome Tautomerase (D-DT)
分子名称: CITRIC ACID, D-dopachrome decarboxylase
著者Parkins, A, Wolff, A, Thompson, M.C, Pantouris, G.
登録日2023-12-22
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VG5
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BU of 8vg5 by Molmil
Crystal Structure of V113N Variant of D-Dopachrome Tautomerase (D-DT) Bound with 4CPPC
分子名称: 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, CITRIC ACID, D-dopachrome decarboxylase
著者Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G.
登録日2023-12-22
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8DHD
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BU of 8dhd by Molmil
Neutron crystal structure of maltotetraose bound tmMBP
分子名称: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE2
著者Cuneo, M.J, Shukla, S, Myles, D.A.
登録日2022-06-27
公開日2022-10-12
最終更新日2023-10-25
実験手法NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
主引用文献Mapping periplasmic binding protein oligosaccharide recognition with neutron crystallography.
Sci Rep, 12, 2022
4Y4K
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BU of 4y4k by Molmil
Crystal structure of the mCD1d/EF77/iNKTCR ternary complex
分子名称: (4Z)-9-[(1R,2R)-2-decylcyclopropyl]-N-[(2S,3S,4S)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zajonc, D.M, Birkholz, A.M.
登録日2015-02-10
公開日2015-05-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells
To Be Published
4WRN
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BU of 4wrn by Molmil
Crystal structure of the polymerization region of human uromodulin/Tamm-Horsfall protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Uromodulin, ZINC ION, ...
著者Bokhove, M, De Sanctis, D, Jovine, L.
登録日2014-10-24
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A structured interdomain linker directs self-polymerization of human uromodulin.
Proc.Natl.Acad.Sci.USA, 113, 2016
6I5R
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BU of 6i5r by Molmil
BlMnBP1 binding protein of an ABC transporter from Bifidobacterium animalis subsp. lactis ATCC27673 in complex with mannobiose
分子名称: Sugar ABC transporter substrate-binding protein, BlMnBP1, ZINC ION, ...
著者Abou Hachem, M, Ejby, M, Guskov, A, Slotboom, D.J.
登録日2018-11-14
公開日2019-04-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on beta-mannan possess distinct manno-oligosaccharide-binding profiles.
Mol.Microbiol., 112, 2019
4X4S
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BU of 4x4s by Molmil
Crystal structure of the A.fulgidus CCA-adding enzyme in complex with a G70A arginyl-tRNA minihelix ending in CCACC and CTP
分子名称: CCA-adding enzyme, CYTIDINE-5'-TRIPHOSPHATE, D(-)-TARTARIC ACID, ...
著者Kuhn, C.-D, Joshua-Tor, L.
登録日2014-12-03
公開日2015-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献On-enzyme refolding permits small RNA and tRNA surveillance by the CCA-adding enzyme.
Cell, 160, 2015
6F9L
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BU of 6f9l by Molmil
Crystal structure of Barley Beta-Amylase complexed with 3-Deoxy-3-fluoro-maltose
分子名称: Beta-amylase, CHLORIDE ION, alpha-D-glucopyranose-(1-4)-3-deoxy-3-fluoro-alpha-D-glucopyranose
著者Tantanarat, K, Stevenson, C.E.M, Rejzek, M, Lawson, D.M, Field, R.A.
登録日2017-12-14
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of Barley Beta-Amylase complexed with 3-Deoxy-3-fluoro-maltose
To be published
5N7N
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BU of 5n7n by Molmil
CRYSTAL STRUCTURE OF CATHEPSIN D ZYMOGEN FROM THE TICK IXODES RICINUS (IRCD1)
分子名称: AMMONIUM ION, Putative cathepsin d, SULFATE ION
著者Brynda, J, Hanova, I, Hobizalova, R, Mares, M.
登録日2017-02-21
公開日2017-12-27
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
6TJK
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Crystal Structure of Recombinant GBA in Complex with Bis-Tris Propane.
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rowland, R.J, Davies, G.J.
登録日2019-11-26
公開日2020-06-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
8EU8
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BU of 8eu8 by Molmil
Cryo-EM structure of CH848 10.17DT DS-SOSIP-2P Env
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, CH848 10.17DT SOSIP Envelope glycoprotein gp160
著者Wrapp, D, Acharya, P, Haynes, B.F.
登録日2022-10-18
公開日2023-01-04
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Structure-Based Stabilization of SOSIP Env Enhances Recombinant Ectodomain Durability and Yield.
J.Virol., 97, 2023
6FWL
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BU of 6fwl by Molmil
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex alpha-Glc-1,3-(1,2-anhydro-carba-mannose)
分子名称: (1~{S},2~{S},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
著者Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2018-03-06
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
5ELC
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BU of 5elc by Molmil
Cholera toxin El Tor B-pentamer in complex with Lewis-y
分子名称: BICINE, CALCIUM ION, Cholera enterotoxin subunit B, ...
著者Heggelund, J.E, Burschowsky, D, Krengel, U.
登録日2015-11-04
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
Plos Pathog., 12, 2016
8PPV
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BU of 8ppv by Molmil
Intermediate conformer of Pyrococcus abyssi DNA polymerase D (PolD) bound to a primer/template substrate containing three consecutive mismatches
分子名称: DNA (5'-D(*P*CP*CP*GP*GP*GP*CP*CP*GP*AP*GP*CP*CP*GP*TP*(GS)P*(G7P)P*(PST)P*(PST)P*(PST))-3'), DNA (5'-D(P*AP*GP*CP*AP*CP*GP*GP*CP*TP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA polymerase II small subunit, ...
著者Betancurt-Anzola, L, Martinez-Carranza, M, Zatopek, K.M, Gardner, A.F, Sauguet, L.
登録日2023-07-10
公開日2023-12-20
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Molecular basis for proofreading by the unique exonuclease domain of Family-D DNA polymerases.
Nat Commun, 14, 2023
8PPT
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BU of 8ppt by Molmil
Pyrococcus abyssi DNA polymerase D (PolD) in its editing mode bound to a primer/template substrate containing a mismatch
分子名称: DNA (5'-D(P*AP*GP*CP*AP*CP*GP*GP*CP*TP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA (5'-D(P*CP*CP*GP*GP*GP*CP*CP*GP*AP*GP*CP*CP*GP*TP*GP*CP*TP*TP*T)-3'), DNA polymerase II small subunit, ...
著者Betancurt-Anzola, L, Martinez-Carranza, M, Zatopek, K.M, Gardner, A.F, Sauguet, L.
登録日2023-07-10
公開日2023-12-20
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular basis for proofreading by the unique exonuclease domain of Family-D DNA polymerases.
Nat Commun, 14, 2023
8PPU
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BU of 8ppu by Molmil
Pyrococcus abyssi DNA polymerase D (PolD) in its editing mode bound to a primer/template substrate containing three consecutive mismatches
分子名称: DNA (5'-D(P*AP*GP*CP*AP*CP*GP*GP*CP*TP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA (5'-D(P*CP*CP*GP*GP*GP*CP*CP*GP*AP*GP*CP*CP*GP*TP*(GS)P*(C7R)P*(PST)P*(PST)P*(PST))-3'), DNA polymerase II small subunit, ...
著者Betancurt-Anzola, L, Martinez-Carranza, M, Zatopek, K.M, Gardner, A.F, Sauguet, L.
登録日2023-07-10
公開日2023-12-20
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Molecular basis for proofreading by the unique exonuclease domain of Family-D DNA polymerases.
Nat Commun, 14, 2023

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