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4DCI
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BU of 4dci by Molmil
Crystal structure of unknown funciton protein from Synechococcus sp. WH 8102
分子名称: SULFATE ION, uncharacterized protein
著者Chang, C, Marshall, N, Bearden, J, Palenik, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-01-17
公開日2012-02-01
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Crystal structure of unknown function protein from Synechococcus sp. WH 8102
To be Published
4DW5
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BU of 4dw5 by Molmil
Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with a non-cleavable CpU dinucleotide
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, E(rns) glycoprotein, ...
著者Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A.
登録日2012-02-24
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
8USS
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BU of 8uss by Molmil
IL17A complexed to Compound 7
分子名称: 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A
著者Argiriadi, M.A, Ramos, A.L.
登録日2023-10-29
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
4DWB
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BU of 4dwb by Molmil
Crystal structure of Trypanosoma cruzi farnesyl diphosphate synthase in complex with [2-(n-pentylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, Farnesyl pyrophosphate synthase, ...
著者Aripirala, S, Amzel, L.M, Gabelli, S.B.
登録日2012-02-24
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
4DES
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BU of 4des by Molmil
Crystal Structure of the Wild Type TTR Binding Chrysin (TTRwt:CHR)
分子名称: Transthyretin, chrysin
著者Trivella, D.B.B, Polikarpov, I.
登録日2012-01-21
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Flavonoid interactions with human transthyretin: Combined structural and thermodynamic analysis.
J.Struct.Biol., 180, 2012
8V84
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BU of 8v84 by Molmil
60S ribosome biogenesis intermediate (Dbp10 catalytic structure - Overall map)
分子名称: 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ...
著者Cruz, V.E, Weirich, C.S, Peddada, N, Erzberger, J.P.
登録日2023-12-04
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献The DEAD-box ATPase Dbp10/DDX54 initiates peptidyl transferase center formation during 60S ribosome biogenesis.
Nat Commun, 15, 2024
4DA9
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BU of 4da9 by Molmil
Crystal structure of putative Short-chain dehydrogenase/reductase from Sinorhizobium meliloti 1021
分子名称: SULFATE ION, Short-chain dehydrogenase/reductase
著者Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-01-12
公開日2012-01-25
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of putative Short-chain dehydrogenase/reductase from Sinorhizobium meliloti 1021
To be Published
5U2M
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BU of 5u2m by Molmil
Crystal structure of human NAMPT with A-1293201
分子名称: N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2016-11-30
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
4DFN
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BU of 4dfn by Molmil
Crystal structure of spleen tyrosine kinase complexed with an adamantylpyrazine inhibitor
分子名称: 3-amino-6-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-[(1R,2r,3S,5s,7s)-5-hydroxyadamantan-2-yl]pyrazine-2-carboxamide, Tyrosine-protein kinase SYK
著者Lopez, M, Segarra, V, Vidal, B, Wenzkowski, C, Jestel, A, Krapp, S, Blaesse, M, Nagel, S, Schreiner, P.
登録日2012-01-24
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Pyrazine-based Syk kinase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4DCH
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BU of 4dch by Molmil
Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations
分子名称: (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
著者Greasley, S.E, Hickey, M, Feng, J, Garcia, E.
登録日2012-01-17
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
4DDJ
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BU of 4ddj by Molmil
Crystal structure of saposin A in complex with lauryldimethylamine-N-oxide (LDAO)
分子名称: LAURYL DIMETHYLAMINE-N-OXIDE, Saposin-A
著者Popovic, K, Prive, G.G.
登録日2012-01-18
公開日2012-02-15
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of saposin A lipoprotein discs.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DHQ
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BU of 4dhq by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: (2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C.
登録日2012-01-30
公開日2013-07-31
最終更新日2013-09-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
4DE2
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BU of 4de2 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 12
分子名称: 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
5UFV
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BU of 5ufv by Molmil
Crystal Structure of a Cellulose-active Polysaccharide Monooxygenase from M. thermophila (MtPMO3*)
分子名称: COPPER (II) ION, Glycoside hydrolase family 61 protein
著者Span, E.A, Deller, M.C, Marletta, M.A.
登録日2017-01-05
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The Role of the Secondary Coordination Sphere in a Fungal Polysaccharide Monooxygenase.
ACS Chem. Biol., 12, 2017
4DFH
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BU of 4dfh by Molmil
Crystal structure of cell adhesion molecule nectin-2/CD112 variable domain
分子名称: Poliovirus receptor-related protein 2
著者Liu, J, Qian, X, Chen, Z, Xu, X, Gao, F, Zhang, S, Zhang, R, Qi, J, Gao, G.F, Yan, J.
登録日2012-01-23
公開日2012-06-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Cell Adhesion Molecule Nectin-2/CD112 and Its Binding to Immune Receptor DNAM-1/CD226
J.Immunol., 188, 2012
4DL6
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BU of 4dl6 by Molmil
Human DNA polymerase eta extending primer immediately after cisplatin crosslink (Pt-GG3).
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, Cisplatin, DNA (5'-D(*TP*AP*GP*TP*GP*TP*GP*CP*C)-3'), ...
著者Zhao, Y, Biertumpfel, C, Gregory, M, Hua, Y, Hanaoka, F, Yang, W.
登録日2012-02-05
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Chemoresistance to Cisplatin Mediated by DNA Polymerase eta
Proc.Natl.Acad.Sci.USA, 109, 2012
4DLK
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BU of 4dlk by Molmil
Crystal Structure of ATP-Ca++ complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, PHOSPHATE ION, ...
著者Fung, L.W, Tuntland, M.L, Santarsiero, B.D, Johnson, M.E.
登録日2012-02-06
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 70, 2014
4DGC
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BU of 4dgc by Molmil
TRIMCyp cyclophilin domain from Macaca mulatta: cyclosporin A complex
分子名称: TRIMCyp, cyclosporin A
著者Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C.
登録日2012-01-25
公開日2012-02-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
4DM1
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BU of 4dm1 by Molmil
Contribution of disulfide bond toward thermostability in hyperthermostable endocellulase
分子名称: 458aa long hypothetical endo-1,4-beta-glucanase, PHOSPHATE ION
著者Kim, H.-W, Ishikawa, K.
登録日2012-02-06
公開日2013-02-13
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Contribution of disulfide bond toward thermostability in hyperthermostable endocellulase
To be Published
4DGT
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BU of 4dgt by Molmil
Crystal structure of PLP-bound putative aminotransferase from Clostridium difficile 630 crystallized with magnesium formate
分子名称: CHLORIDE ION, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Shabalin, I.G, Onopriyenko, O, Kudritska, M, Chruszcz, M, Grimshaw, S, Porebski, P.J, Cooper, D.R, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-01-26
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structures of putative aminotransferase from Clostridium difficile 630
to be published
4DND
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BU of 4dnd by Molmil
Crystal structure of syntaxin 10 from Homo sapiens
分子名称: Syntaxin-10
著者Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-02-08
公開日2012-02-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of syntaxin 10 from Homo sapiens
To be Published
4DJ1
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BU of 4dj1 by Molmil
Thaumatin I by Langmuir-Blodgett Hanging Drop Method at 1.98A resolution for Unique Water Distribution
分子名称: Thaumatin I
著者Pechkova, E, Sivozhelezov, V, Belmonte, L, Nicolini, C.
登録日2012-02-01
公開日2012-07-18
最終更新日2012-10-31
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Unique water distribution of Langmuir-Blodgett versus classical crystals.
J.Struct.Biol., 180, 2012
4DA2
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The structure of Pyrococcus Furiosus SfsA in complex with Ca2+
分子名称: CALCIUM ION, Sugar fermentation stimulation protein homolog
著者Baker, P.J, Allen, F.L.
登録日2012-01-12
公開日2014-10-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of SfsA and its DNA complex; A DNA/RNA nuclease with a novel domain combination
To be Published
4DJN
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BU of 4djn by Molmil
Crystal structure of a ribonucleotide reductase M2 B (RNRR2) from Homo sapiens at 2.20 A resolution
分子名称: 1,2-ETHANEDIOL, Ribonucleoside-diphosphate reductase subunit M2 B, SULFATE ION
著者Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
登録日2012-02-02
公開日2012-05-09
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a ribonucleotide reductase M2 B (RNRR2) from Homo sapiens at 2.20 A resolution
To be published
8V85
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60S ribosome biogenesis intermediate (Dbp10 catalytic structure - Low-pass filtered locally refined map)
分子名称: ATP-dependent RNA helicase DBP10
著者Cruz, V.E, Weirich, C.S, Peddada, N, Erzberger, J.P.
登録日2023-12-04
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The DEAD-box ATPase Dbp10/DDX54 initiates peptidyl transferase center formation during 60S ribosome biogenesis.
Nat Commun, 15, 2024

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件を2024-10-02に公開中

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