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4NH6
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BU of 4nh6 by Molmil
Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 15-mer siRNA having 5'-pUUU and UU-3' ends (2.55 Angstrom resolution)
分子名称: 5'-R(P*UP*UP*UP*GP*CP*GP*AP*AP*UP*UP*CP*GP*CP*UP*U)-3', Endoribonuclease Dicer
著者Simanshu, D.K, Tian, Y, Patel, D.J.
登録日2013-11-04
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.551 Å)
主引用文献A Phosphate-Binding Pocket within the Platform-PAZ-Connector Helix Cassette of Human Dicer.
Mol.Cell, 53, 2014
4NHK
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BU of 4nhk by Molmil
Crystal structure of Tpa1p from Saccharomyces cerevisiae, termination and polyadenylation protein 1, in complex with pyridine-2,4-dicarboxylic acid (2,4-PDCA)
分子名称: GLYCEROL, MANGANESE (II) ION, PKHD-type hydroxylase TPA1, ...
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-11-05
公開日2014-11-19
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015
5WEF
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BU of 5wef by Molmil
Crystal structure of the influenza virus PA endonuclease (F105S mutant) in complex with inhibitor 7a (SRI-29770)
分子名称: 1,2-ETHANEDIOL, 2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, ...
著者Kumar, G, White, S.W.
登録日2017-07-09
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
4NHB
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BU of 4nhb by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio desulfuricans (Ddes_1525), Target EFI-510107, with bound sn-glycerol-3-phosphate
分子名称: IODIDE ION, SN-GLYCEROL-3-PHOSPHATE, TRAP dicarboxylate transporter-DctP subunit
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-11-04
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
5WKA
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BU of 5wka by Molmil
Crystal structure of a GH1 beta-glucosidase retrieved from microbial metagenome of Poraque Amazon lake
分子名称: Beta-glucosidase, DI(HYDROXYETHYL)ETHER, GLYCEROL
著者Morais, M.A.B, Toyama, D, Ramos, F.C, Zanphorlin, L.M, Tonoli, C.C.C, Miranda, F.P, Ruller, R, Henrique-Silva, F, Murakami, M.T.
登録日2017-07-24
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A novel beta-glucosidase isolated from the microbial metagenome of Lake Poraque (Amazon, Brazil).
Biochim. Biophys. Acta, 1866, 2018
4NHY
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BU of 4nhy by Molmil
Crystal structure of human OGFOD1, 2-oxoglutarate and iron-dependent oxygenase domain containing 1, in complex with pyridine-2,4-dicarboxylic acid (2,4-PDCA)
分子名称: 2-oxoglutarate and iron-dependent oxygenase domain-containing protein 1, GLYCEROL, MANGANESE (II) ION, ...
著者Horita, S, McDonough, M.A, Schofield, C.J.
登録日2013-11-05
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015
4NLY
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BU of 4nly by Molmil
Poliovirus Polymerase - C290E Loop Mutant
分子名称: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ...
著者Sholders, A.J, Peersen, O.B.
登録日2013-11-14
公開日2014-01-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Distinct conformations of a putative translocation element in poliovirus polymerase.
J.Mol.Biol., 426, 2014
5WFZ
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BU of 5wfz by Molmil
Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 8e (SRI-30049)
分子名称: 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, GLYCEROL, MANGANESE (II) ION, ...
著者Kumar, G, White, S.W.
登録日2017-07-13
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
4NMF
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BU of 4nmf by Molmil
Crystal structure of proline utilization A (PutA) from Geobacter sulfurreducens PCA inactivated by N-propargylglycine and complexed with menadione bisulfite
分子名称: (2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid, (2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid, 1,2-ETHANEDIOL, ...
著者Singh, H, Tanner, J.J.
登録日2013-11-14
公開日2014-02-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structures of the PutA peripheral membrane flavoenzyme reveal a dynamic substrate-channeling tunnel and the quinone-binding site.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NL1
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BU of 4nl1 by Molmil
Crystal structure of B. anthracis DHPS with compound 11: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine
分子名称: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine, Dihydropteroate Synthase, SULFATE ION
著者Hammoudeh, D.I, White, S.W.
登録日2013-11-13
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4NLR
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BU of 4nlr by Molmil
Poliovirus Polymerase - C290S Loop Mutant
分子名称: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ...
著者Sholders, A.J, Peersen, O.B.
登録日2013-11-14
公開日2014-01-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Distinct conformations of a putative translocation element in poliovirus polymerase.
J.Mol.Biol., 426, 2014
4NM1
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BU of 4nm1 by Molmil
Structure of human DNA polymerase beta complexed with a nicked DNA containing a 8BrG-C at N-1 position and G-C at N position
分子名称: 5'-D(*CP*CP*GP*AP*CP*GP*(BGM)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Koag, M.-C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-11-14
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.415 Å)
主引用文献Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
4NO0
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BU of 4no0 by Molmil
Crystal structure of non-phosphorylated form of RQA_V phosphopeptide bound to HLA-A2 in complex with LILRB1
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Mohammed, F, Stones, D.H, Willcox, B.E.
登録日2013-11-19
公開日2014-11-19
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The antigenic identity of human class I MHC phosphopeptides is critically dependent upon phosphorylation status.
Oncotarget, 8, 2017
5WHN
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BU of 5whn by Molmil
Crystal structure of the segment, NFGAFS, from the low complexity domain of TDP-43, residues 312-317
分子名称: Segment of TAR DNA-binding protein 43
著者Guenther, E.L, Sawaya, M.R, Eisenberg, D.S.
登録日2017-07-17
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
6ZZ3
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BU of 6zz3 by Molmil
RBcel1 cellulase variant Y201F with cellotriose covalently bound
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Collet, L, Dutoit, R.
登録日2020-08-03
公開日2021-07-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Glycoside hydrolase family 5: structural snapshots highlighting the involvement of two conserved residues in catalysis.
Acta Crystallogr D Struct Biol, 77, 2021
5WNR
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BU of 5wnr by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者DeMirci, H.
登録日2017-08-01
公開日2018-02-21
最終更新日2025-02-12
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation.
Nat. Struct. Mol. Biol., 25, 2018
5WQ3
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BU of 5wq3 by Molmil
Crystal structure of type-II LOG from Corynebacterium glutamicum
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cytokinin riboside 5'-monophosphate phosphoribohydrolase, ...
著者Seo, H, Kim, K.-J.
登録日2016-11-22
公開日2017-04-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for a novel type of cytokinin-activating protein
Sci Rep, 7, 2017
6SMA
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BU of 6sma by Molmil
Crystal structure of Human Neutrophil Elastase (HNE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC249
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid, ...
著者Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M.
登録日2019-08-21
公開日2020-04-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
6ZQY
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BU of 6zqy by Molmil
Crystal structure of tetrameric fibrinogen-like recognition domain of FIBCD1 with Neu5Ac ligand bound
分子名称: ACETIC ACID, CALCIUM ION, Fibrinogen C domain-containing protein 1, ...
著者Shrive, A.K, Greenhough, T.J, Williams, H.M.
登録日2020-07-10
公開日2021-07-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of human immune protein FIBCD1 suggest an extended binding site compatible with recognition of pathogen associated carbohydrate motifs
J.Biol.Chem., 2023
5WJN
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BU of 5wjn by Molmil
Crystal Structure of HLA-A*11:01-GTS3
分子名称: Beta-2-microglobulin, GTS3 peptide, HLA class I histocompatibility antigen, ...
著者Gras, S, Rossjohn, J.
登録日2017-07-23
公開日2017-09-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response.
Nat. Immunol., 18, 2017
4NPK
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BU of 4npk by Molmil
Extended-Synaptotagmin 2, C2A- and C2B-domains, calcium bound
分子名称: CALCIUM ION, Extended synaptotagmin-2
著者Tomchick, D.R, Rizo, J, Xu, J.
登録日2013-11-21
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.552 Å)
主引用文献Structure and ca(2+)-binding properties of the tandem c2 domains of e-syt2.
Structure, 22, 2014
4NPC
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BU of 4npc by Molmil
Crystal Structure of an Oxidoreductase, Short-Chain Dehydrogenase/Reductase Family Protein from Brucella suis
分子名称: ACETATE ION, Sorbitol dehydrogenase
著者Dranow, D.M, Davies, D.R, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-11-21
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of an Oxidoreductase, Short-Chain Dehydrogenase/Reductase Family Protein from Brucella suis
To be Published
5WQQ
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BU of 5wqq by Molmil
High resolution structure of high-potential iron-sulfur protein in the oxidized state
分子名称: GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ...
著者Ohno, H, Takeda, K, Niwa, S, Tsujinaka, T, Hanazono, Y, Hirano, Y, Miki, K.
登録日2016-11-28
公開日2017-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Crystallographic characterization of the high-potential iron-sulfur protein in the oxidized state at 0.8 angstrom resolution
PLoS ONE, 12, 2017
5WZT
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BU of 5wzt by Molmil
Crystal structure of human secreted phospholipase A2 group IIE with Compound 14
分子名称: 2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Hou, S, Xu, J, Xu, T, Liu, J.
登録日2017-01-18
公開日2018-01-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
4NR5
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BU of 4nr5 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
分子名称: 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole, CREB-binding protein, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Pike, A.W, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
To be Published

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