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3D62
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Development of Broad-Spectrum Halomethyl Ketone Inhibitors Against Coronavirus Main Protease 3CLpro
分子名称: 3C-like proteinase, benzyl (2-oxopropyl)carbamate
著者Bacha, U, Barrila, J, Gabelli, S.B, Kiso, Y, Amzel, L.M, Freire, E.
登録日2008-05-18
公開日2008-07-01
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Development of broad-spectrum halomethyl ketone inhibitors against coronavirus main protease 3CL(pro).
Chem.Biol.Drug Des., 72, 2008
3LTY
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BU of 3lty by Molmil
Crystal structure of the mutant V182A,I218A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase
著者Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
登録日2010-02-16
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational changes in orotidine 5'-monophosphate decarboxylase: "remote" residues that stabilize the active conformation.
Biochemistry, 49, 2010
3L9E
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Crystal structures of holo and Cu-deficient Cu/ZnSOD from the silkworm Bombyx mori and the implications in Amyotrophic lateral sclerosis
分子名称: Superoxide dismutase [Cu-Zn], ZINC ION
著者Zhang, N.-N, He, Y.-X, Li, W.-F, Zhao, F, Yan, L.-F, Zhang, G.-Z, Teng, Y.-B, Yu, J, Chen, Y, Zhou, C.-Z.
登録日2010-01-05
公開日2010-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of holo and Cu-deficient Cu/Zn-SOD from the silkworm Bombyx mori and the implications in amyotrophic lateral sclerosis
Proteins, 78, 2010
3LA3
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Crystal structure of NtcA in complex with 2,2-difluoropentanedioic acid
分子名称: 2,2-difluoropentanedioic acid, Global nitrogen regulator
著者Zhao, M.X, Jiang, Y.L, He, Y.X, Chen, Y.F, Teng, Y.B, Chen, Y.X, Zhang, C.C, Zhou, C.Z.
登録日2010-01-06
公開日2010-07-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the allosteric control of the global transcription factor NtcA by the nitrogen starvation signal 2-oxoglutarate.
Proc.Natl.Acad.Sci.USA, 107, 2010
4WCI
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BU of 4wci by Molmil
Crystal structure of the 1st SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 378-393) from human RIN3
分子名称: CD2-associated protein, Ras and Rab interactor 3, SULFATE ION
著者Rouka, E, Simister, P.C, Janning, M, Kirsch, K.H, Krojer, T, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC)
登録日2014-09-04
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).
J.Biol.Chem., 290, 2015
3CTG
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Crystal structure of reduced glutaredoxin 2
分子名称: Glutaredoxin-2
著者Yu, J, Teng, Y.B, Zhou, C.Z.
登録日2008-04-14
公開日2008-11-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for the different activities of yeast Grx1 and Grx2.
Biochim.Biophys.Acta, 1804, 2010
3CWE
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PTP1B in complex with a phosphonic acid inhibitor
分子名称: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1, [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid
著者Scapin, G, Han, Y, Kennedy, B.P.
登録日2008-04-21
公開日2008-06-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of [(3-bromo-7-cyano-2-naphthyl)(difluoro)methyl]phosphonic acid, a potent and orally active small molecule PTP1B inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
3LXY
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Crystal structure of 4-hydroxythreonine-4-phosphate dehydrogenase from Yersinia pestis CO92
分子名称: 4-hydroxythreonine-4-phosphate dehydrogenase, NICKEL (II) ION, SULFATE ION, ...
著者Nocek, B, Maltseva, N, Kwon, K, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-02-25
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of 4-hydroxythreonine-4-phosphate dehydrogenase from Yersinia pestis CO92
To be Published
3LPG
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BU of 3lpg by Molmil
Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-((6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)urea
分子名称: 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea, Beta-glucuronidase
著者Wallace, B.D, Redinbo, M.R.
登録日2010-02-05
公開日2010-11-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.425 Å)
主引用文献Alleviating cancer drug toxicity by inhibiting a bacterial enzyme.
Science, 330, 2010
4WCZ
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Crystal structure of a putative enoyl-CoA hydratase/isomerase from Novosphingobium aromaticivorans
分子名称: Enoyl-CoA hydratase/isomerase
著者Tkaczuk, K.L, Cooper, D.R, Chapman, H.C, Niedzialkowska, E, Cymborowski, M.T, Hillerich, B.S, Stead, M, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-09-05
公開日2014-12-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of a putative enoyl-CoA hydratase/isomerase from Novosphingobium aromaticivorans
to be published
3D4M
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Glutaredoxin 2 oxidized structure
分子名称: Glutaredoxin-2, mitochondrial
著者Discola, K.F, de Oliveira, M.A, Barcena, J.A, Porras, P, Guimaraes, B.G, Netto, L.E.S.
登録日2008-05-14
公開日2008-10-28
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural aspects of the distinct biochemical properties of glutaredoxin 1 and glutaredoxin 2 from Saccharomyces cerevisiae.
J.Mol.Biol., 385, 2009
4V55
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Crystal structure of the bacterial ribosome from Escherichia coli in complex with gentamicin and ribosome recycling factor (RRF).
分子名称: (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 16S rRNA, 23S rRNA, ...
著者Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D.
登録日2007-06-17
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural basis for aminoglycoside inhibition of bacterial ribosome recycling.
Nat.Struct.Mol.Biol., 14, 2007
4V7E
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Model of the small subunit RNA based on a 5.5 A cryo-EM map of Triticum aestivum translating 80S ribosome
分子名称: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S10E, ...
著者Barrio-Garcia, C, Armache, J.-P, Jarasch, A, Anger, A.M, Villa, E, Becker, T, Bhushan, S, Jossinet, F, Habeck, M, Dindar, G, Franckenberg, S, Marquez, V, Mielke, T, Thomm, M, Berninghausen, O, Beatrix, B, Soeding, J, Westhof, E, Wilson, D.N, Beckmann, R.
登録日2013-11-22
公開日2014-07-09
最終更新日2023-02-01
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Structures of the Sec61 complex engaged in nascent peptide translocation or membrane insertion.
Nature, 506, 2014
3LWO
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Structure of H/ACA RNP bound to a substrate RNA containing 5BrU
分子名称: 5'-R(*GP*AP*GP*CP*GP*(5BU)P*GP*CP*GP*GP*UP*UP*U)-3', 50S ribosomal protein L7Ae, H/ACA RNA, ...
著者Zhou, J, Liang, B, Lv, C, Yang, W, Li, H.
登録日2010-02-24
公開日2010-07-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.855 Å)
主引用文献Glycosidic bond conformation preference plays a pivotal role in catalysis of RNA pseudouridylation: a combined simulation and structural study.
J.Mol.Biol., 401, 2010
3LWP
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Structure of H/ACA RNP bound to a substrate RNA containing 5BrdU
分子名称: 5'-R(*GP*AP*GP*CP*GP*(BRU)P*GP*CP*GP*GP*UP*UP*U)-3, 50S ribosomal protein L7Ae, H/ACA RNA, ...
著者Zhou, J, Liang, B, Lv, C, Yang, W, Li, H.
登録日2010-02-24
公開日2010-07-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Glycosidic bond conformation preference plays a pivotal role in catalysis of RNA pseudouridylation: a combined simulation and structural study.
J.Mol.Biol., 401, 2010
3CPK
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Crystal structure of the Q7W7N7_BORPA protein from Bordetella parapertussis. Northeast Structural Genomics Consortium target BeR31
分子名称: Uncharacterized protein Q7W7N7_BORPA
著者Vorobiev, S.M, Abashidze, M, Seetharaman, J, Zhao, L, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2008-03-31
公開日2008-04-15
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the Q7W7N7_BORPA protein from Bordetella parapertussis.
To be Published
3LV5
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BU of 3lv5 by Molmil
Crystal structure of the mutant I199E of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase
著者Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
登録日2010-02-19
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.444 Å)
主引用文献Conformational changes in orotidine 5'-monophosphate decarboxylase: "remote" residues that stabilize the active conformation.
Biochemistry, 49, 2010
3CTA
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BU of 3cta by Molmil
Crystal structure of riboflavin kinase from Thermoplasma acidophilum
分子名称: Riboflavin kinase
著者Bonanno, J.B, Rutter, M, Bain, K.T, Mendoza, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-04-11
公開日2008-04-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of riboflavin kinase from Thermoplasma acidophilum.
To be Published
4UUQ
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Crystal structure of human mono-glyceride lipase in complex with SAR127303
分子名称: 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE
著者Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J.
登録日2014-07-30
公開日2015-01-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents.
Sci.Rep., 5, 2015
3LT7
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A transition from strong right-handed to canonical left-handed supercoiling in a conserved coiled coil segment of trimeric autotransporter adhesins - the M3 mutant structure
分子名称: Adhesin yadA
著者Zeth, K, Hernandez-Alvarez, B, Lupas, A.N.
登録日2010-02-15
公開日2010-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A transition from strong right-handed to canonical left-handed supercoiling in a conserved coiled-coil segment of trimeric autotransporter adhesins.
J.Struct.Biol., 170, 2010
3LV6
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Crystal structure of the mutant I218F of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase
著者Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
登録日2010-02-19
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Conformational changes in orotidine 5'-monophosphate decarboxylase: "remote" residues that stabilize the active conformation.
Biochemistry, 49, 2010
3CWZ
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BU of 3cwz by Molmil
Structure of RAB6(GTP)-R6IP1 complex
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rab6-interacting protein 1, ...
著者Recacha, R, Houdusse, A, Goud, B, Khan, A.R.
登録日2008-04-23
公開日2008-11-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for recruitment of Rab6-interacting protein 1 to Golgi via a RUN domain.
Structure, 17, 2009
4V39
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Apo-structure of alpha2,3-sialyltransferase variant 2 from Pasteurella dagmatis
分子名称: SIALYLTRANSFERASE
著者Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K.
登録日2014-10-17
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign
Chem.Commun.(Camb.), 51, 2015
8IJU
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BU of 8iju by Molmil
ATP-dependent RNA helicase DDX39A (URH49delta41)
分子名称: 1,2-ETHANEDIOL, ATP-dependent RNA helicase DDX39A, PHOSPHATE ION, ...
著者Mikami, B, Fujita, K, Masuda, S, Kojima, M.
登録日2023-02-28
公開日2024-01-24
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural differences between the closely related RNA helicases, UAP56 and URH49, fashion distinct functional apo-complexes.
Nat Commun, 15, 2024
3LUJ
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Crystal structure of MID domain from hAGO2 in complex with UMP
分子名称: Protein argonaute-2, URIDINE-5'-MONOPHOSPHATE
著者Frank, F, Sonenberg, N, Nagar, B.
登録日2010-02-17
公開日2010-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Structural basis for 5'-nucleotide base-specific recognition of guide RNA by human AGO2.
Nature, 465, 2010

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