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6CR7
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BU of 6cr7 by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHF, beta, gamma dATP analogue
分子名称: 9-{2-deoxy-5-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-9H-purin-6-amine, CHLORIDE ION, DNA polymerase beta, ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-16
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
1Z2U
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BU of 1z2u by Molmil
The 1.1A crystallographic structure of ubiquitin-conjugating enzyme (ubc-2) from Caenorhabditis elegans: functional and evolutionary significance
分子名称: (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, SODIUM ION, ...
著者Gavira, J.A, DiGiamamarino, E, Tempel, W, Liu, Z.J, Wang, B.C, Meehan, E, Ng, J.D, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2005-03-09
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The 1.1A crystallographic structure of ubiquitin-conjugating enzyme (ubc-2) from Caenorhabditis elegans: functional and evolutionary significance
To be published
5AYZ
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BU of 5ayz by Molmil
CRYSTAL STRUCTURE OF HUMAN QUINOLINATE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH THE PRODUCT NICOTINATE MONONUCLEOTIDE
分子名称: NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide pyrophosphorylase [carboxylating]
著者Youn, H.S, Kim, T.G, Kim, M.K, Kang, G.B, Kang, J.Y, Seo, Y.J, Lee, J.G, An, J.Y, Park, K.R, Lee, Y, Im, Y.J, Lee, J.H, Fukuoka, S.I, Eom, S.H.
登録日2015-09-14
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Insights into the Quaternary Catalytic Mechanism of Hexameric Human Quinolinate Phosphoribosyltransferase, a Key Enzyme in de novo NAD Biosynthesis
Sci Rep, 6, 2016
4Q08
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BU of 4q08 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-04-01
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
7JUA
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BU of 7jua by Molmil
Crystal structure of the second heterocyclization domain of yersiniabactin synthetase at 2.35 A resolution
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Irp2 protein, SODIUM ION
著者Xia, Y, Soule, J, Dowling, D.P.
登録日2020-08-19
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献High-resolution structures of a siderophore-producing cyclization domain from Yersinia pestis offer a refined proposal of substrate binding.
J.Biol.Chem., 2022
7JZQ
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BU of 7jzq by Molmil
CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALPMB
分子名称: 4-[(piperidin-1-yl)methyl]benzoic acid, Golgi-associated PDZ and coiled-coil motif-containing protein, LyCALPMB peptide core
著者Gill, N.P, Madden, D.R.
登録日2020-09-02
公開日2021-10-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALPMB
To Be Published
7K1A
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BU of 7k1a by Molmil
TtgR quadruple mutant (C137I I141W M167L F168Y)
分子名称: HTH-type transcriptional regulator TtgR, MAGNESIUM ION
著者Bingman, C.A, Nishikawa, K.K, Smith, R.W, Raman, S.
登録日2020-09-07
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Epistasis shapes the fitness landscape of an allosteric specificity switch.
Nat Commun, 12, 2021
7JTJ
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BU of 7jtj by Molmil
Crystal structure of the second heterocyclization domain of yersiniabactin synthetase
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Irp2 protein, SODIUM ION
著者Xia, Y, Gnann, A.D, Dowling, D.P.
登録日2020-08-17
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献High-resolution structures of a siderophore-producing cyclization domain from Yersinia pestis offer a refined proposal of substrate binding.
J.Biol.Chem., 298, 2022
6CE9
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BU of 6ce9 by Molmil
Insulin Receptor ectodomain in complex with two insulin molecules
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Dandey, V.P, Zhang, Z, Strickland, C, Potter, C.S, Carragher, B.
登録日2018-02-11
公開日2018-03-14
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structure of the insulin receptor-insulin complex by single-particle cryo-EM analysis.
Nature, 556, 2018
4KOA
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BU of 4koa by Molmil
Crystal Structure Analysis of 1,5-anhydro-D-fructose reductase from Sinorhizobium meliloti
分子名称: 1,5-anhydro-D-fructose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Schu, M, Faust, A, Stosik, B, Kohring, G.-W, Giffhorn, F, Scheidig, A.J.
登録日2013-05-11
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The structure of substrate-free 1,5-anhydro-D-fructose reductase from Sinorhizobium meliloti 1021 reveals an open enzyme conformation.
Acta Crystallogr.,Sect.F, 69, 2013
6CNN
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BU of 6cnn by Molmil
Cryo-EM structure of the human SK4/calmodulin channel complex in the Ca2+ bound state I
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, Calmodulin-1, ...
著者Lee, C.H, MacKinnon, R.
登録日2018-03-08
公開日2018-05-02
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Activation mechanism of a human SK-calmodulin channel complex elucidated by cryo-EM structures.
Science, 360, 2018
7K1C
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BU of 7k1c by Molmil
TtgR in complex with resveratrol
分子名称: HTH-type transcriptional regulator TtgR, MAGNESIUM ION, RESVERATROL
著者Bingman, C.A, Nishikawa, K.K, Smith, R.W, Raman, S.
登録日2020-09-07
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Epistasis shapes the fitness landscape of an allosteric specificity switch.
Nat Commun, 12, 2021
4KQA
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BU of 4kqa by Molmil
Crystal structure of the golgi casein kinase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NICKEL (II) ION, Protein H03A11.1, ...
著者Xiao, J.
登録日2013-05-14
公開日2013-06-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Crystal structure of the Golgi casein kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
7K3H
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BU of 7k3h by Molmil
Crystal structure of deep network hallucinated protein 0217
分子名称: Network hallucinated protein 0217
著者Pellock, S.J, Anishchenko, I, Chidyausiku, T.M, Bera, A.K, DiMaio, F, Baker, D.
登録日2020-09-11
公開日2021-12-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献De novo protein design by deep network hallucination.
Nature, 600, 2021
7K1R
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BU of 7k1r by Molmil
X-ray Structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43 F507A mutant
分子名称: Beta xylosidase GH43, CALCIUM ION, GLYCEROL
著者Briganti, L, Capetti, C.C.M, Polikarpov, I.
登録日2020-09-08
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray Structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43 F507A mutant
To Be Published
7JHQ
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BU of 7jhq by Molmil
OXA-48 bound by Compound 2.3
分子名称: 1,2-ETHANEDIOL, Beta-lactamase OXA-48, CHLORIDE ION, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-07-21
公開日2021-12-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
6CQ1
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BU of 6cq1 by Molmil
BCL6 BTB domain in complex with 15a
分子名称: 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide, B-cell lymphoma 6 protein
著者Linhares, B.M, Cheng, H, Xue, F, Cierpicki, T.
登録日2018-03-14
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69921041 Å)
主引用文献Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
4TU1
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BU of 4tu1 by Molmil
Structure of Toxoplasma gondii fructose 1,6 bisphosphate aldolase
分子名称: Fructose-1,6-bisphosphate aldolase, GLYCEROL
著者Boucher, L.E, Bosch, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-06-23
公開日2014-09-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of Toxoplasma gondii fructose-1,6-bisphosphate aldolase.
Acta Crystallogr.,Sect.F, 70, 2014
6CR3
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BU of 6cr3 by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CBr2, beta, gamma dATP analogue
分子名称: 2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
7JIZ
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BU of 7jiz by Molmil
Dienelactone hydrolase family protein ScDLH from Solimonas sp. K1W22B-7
分子名称: Dienelactone hydrolase family protein
著者Schnettler Fernandez, J.D.F, Campbell, E.C, Hollfelder, F.H.
登録日2020-07-24
公開日2022-01-26
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献ScDLH
To Be Published
4TTC
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BU of 4ttc by Molmil
Crystal structure of homo sapiens IODOTYROSINE DEIODINASE bound to FMN and mono-iodotyrosine (MIT)
分子名称: 3-IODO-TYROSINE, FLAVIN MONONUCLEOTIDE, Iodotyrosine dehalogenase 1
著者Chuenchor, W, Hu, J, Rokita, S.
登録日2014-06-20
公開日2014-11-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A Switch between One- and Two-electron Chemistry of the Human Flavoprotein Iodotyrosine Deiodinase Is Controlled by Substrate.
J.Biol.Chem., 290, 2015
6CI5
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BU of 6ci5 by Molmil
Crystal structure of the formyltransferase PseJ from Anoxybacillus kamchatkensis in complex with UDP-4,6-dideoxy-4-formamido-L-AltNAc and tetrahydrofolate
分子名称: (2R,3R,4S,5R,6S)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), N-[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ...
著者Reimer, J.M, Harb, I, Schmeing, T.M.
登録日2018-02-23
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.00003052 Å)
主引用文献Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain.
ACS Chem. Biol., 13, 2018
4RQ4
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BU of 4rq4 by Molmil
Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine(8-oxoG) and dATP soaked with MgCl2 for 30 s
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, ACETATE ION, CHLORIDE ION, ...
著者Vyas, R, Suo, Z.
登録日2014-10-31
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography.
J.Am.Chem.Soc., 137, 2015
6EOH
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BU of 6eoh by Molmil
Reductive Aminase from Aspergillus terreus in complex with NADPH and ethyl levulinate
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Reductive Aminase, ethyl levulinate
著者Sharma, M, Grogan, G, Mangas-Sanchez, J, Turner, N.J.
登録日2017-10-09
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Mechanism for Reductive Amination Catalyzed by Fungal Reductive Aminases
Acs Catalysis, 2018
4ROC
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BU of 4roc by Molmil
Human TFIIB-related factor 2 (Brf2) and TBP bound to U6#2 promoter
分子名称: MAGNESIUM ION, Non-template strand, TATA-box-binding protein, ...
著者Vannini, A, Gouge, J, Satia, K, Guthertz, N.
登録日2014-10-28
公開日2015-12-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Redox Signaling by the RNA Polymerase III TFIIB-Related Factor Brf2.
Cell(Cambridge,Mass.), 163, 2015

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件を2025-07-09に公開中

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