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7JRN
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BU of 7jrn by Molmil
Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-08-12
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
6NK3
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BU of 6nk3 by Molmil
Crystal structure of murine Mxra8 ectodomain
分子名称: Matrix remodeling-associated protein 8
著者Fremont, D.H, Kim, A.S, Nelson, C.A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-01-04
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cryo-EM Structure of Chikungunya Virus in Complex with the Mxra8 Receptor.
Cell, 177, 2019
1RF0
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BU of 1rf0 by Molmil
Crystal Structure of Fragment D of gammaE132A Fibrinogen
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrinogen alpha/alpha-E chain, ...
著者Kostelansky, M.S, Gorkun, O.V, Lord, S.T.
登録日2003-11-07
公開日2004-03-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Calcium-Binding Site beta2, Adjacent to the "b" Polymerization Site, Modulates Lateral Aggregation of Protofibrils during Fibrin Polymerization.
Biochemistry, 43, 2004
6NK7
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BU of 6nk7 by Molmil
Electron Cryo-Microscopy of Chikungunya in Complex with Mouse Mxra8 Receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, E1 glycoprotein, ...
著者Basore, K, Kim, A.S, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-01-04
公開日2019-05-22
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.99 Å)
主引用文献Cryo-EM Structure of Chikungunya Virus in Complex with the Mxra8 Receptor.
Cell, 177, 2019
1RF1
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Crystal Structure of Fragment D of gammaE132A Fibrinogen with the Peptide Ligand Gly-His-Arg-Pro-amide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrinogen alpha/alpha-E chain, ...
著者Kostelansky, M.S, Gorkun, O.V, Lord, S.T.
登録日2003-11-07
公開日2004-03-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Calcium-Binding Site beta2, Adjacent to the "b" Polymerization Site, Modulates Lateral Aggregation of Protofibrils during Fibrin Polymerization.
Biochemistry, 43, 2004
1U98
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BU of 1u98 by Molmil
Crystal Structure of E. coli RecA in a Compressed Helical Filament Form3
分子名称: GLYCEROL, RecA protein, SULFATE ION
著者Xing, X, Bell, C.E.
登録日2004-08-09
公開日2004-09-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of Escherichia coli RecA in a compressed helical filament.
J.Mol.Biol., 342, 2004
6NBS
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BU of 6nbs by Molmil
WT ERK2 with compound 2507-8
分子名称: (5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者Sammons, R.M, Perry, N.A, Cho, E.J, Kaoud, T.S, Zamora-Olivares, D.P, Piserchio, A, Houghten, R.A, Giulianotti, M, Li, Y, Debevec, G, Gurevich, V.V, Ghose, R, Iverson, T.M, Dalby, K.N.
登録日2018-12-10
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Novel Class of Common Docking Domain Inhibitors That Prevent ERK2 Activation and Substrate Phosphorylation.
Acs Chem.Biol., 14, 2019
6NK6
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BU of 6nk6 by Molmil
Electron Cryo-Microscopy Of Chikungunya VLP in complex with mouse Mxra8 receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, E1 glycoprotein, ...
著者Basore, K, Kim, A.S, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-01-04
公開日2019-05-22
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.06 Å)
主引用文献Cryo-EM Structure of Chikungunya Virus in Complex with the Mxra8 Receptor.
Cell, 177, 2019
2IEO
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BU of 2ieo by Molmil
Crystal structure analysis of HIV-1 protease mutant I84V with a potent non-peptide inhibitor (UIC-94017)
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, Protease, ...
著者Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T.
登録日2006-09-19
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
3AMK
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BU of 3amk by Molmil
Structure of the Starch Branching Enzyme I (BEI) from Oryza sativa L
分子名称: GLYCEROL, Os06g0726400 protein, PHOSPHATE ION
著者Kakuta, Y, Chaen, K, Noguchi, J, Vu, N, Kimura, M.
登録日2010-08-20
公開日2011-09-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the branching enzyme I (BEI) from Oryza sativa L with implications for catalysis and substrate binding.
Glycobiology, 21, 2011
1RHK
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BU of 1rhk by Molmil
Crystal structure of the complex of caspase-3 with a phenyl-propyl-ketone inhibitor
分子名称: Caspase-3, acetyl-asp-glu-val-fpr
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-14
公開日2004-05-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
6NFO
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BU of 6nfo by Molmil
CYCLIC GMP-AMP SYNTHASE in complex with compound 20 inhibitor: 7-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
分子名称: 7-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide, CYCLIC GMP-AMP SYNTHASE, ZINC ION
著者Hall, J.
登録日2018-12-20
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of a high affinity inhibitor of cGAS
to be published
1GG1
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BU of 1gg1 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF DAHP SYNTHASE IN COMPLEX WITH MN2+ AND 2-PHOSPHOGLYCOLATE
分子名称: 2-PHOSPHOGLYCOLIC ACID, 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE, MANGANESE (II) ION, ...
著者Wagner, T, Shumilin, I.A, Bauerle, R, Kretsinger, R.H.
登録日2000-08-04
公開日2000-10-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli: comparison of the Mn(2+)*2-phosphoglycolate and the Pb(2+)*2-phosphoenolpyruvate complexes and implications for catalysis.
J.Mol.Biol., 301, 2000
2KMK
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BU of 2kmk by Molmil
Gfi-1 Zinc Fingers 3-5 complexed with DNA
分子名称: DNA (5'-D(*CP*AP*TP*AP*AP*AP*TP*CP*AP*CP*TP*GP*CP*CP*TP*A)-3'), DNA (5'-D(*TP*AP*GP*GP*CP*AP*GP*TP*GP*AP*TP*TP*TP*AP*TP*G)-3'), ZINC ION, ...
著者Lee, S, Wu, Z.
登録日2009-07-30
公開日2010-03-02
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of Gfi-1 zinc domain bound to consensus DNA.
J.Mol.Biol., 397, 2010
8SKT
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BU of 8skt by Molmil
Structure of ternary complex of mouse cGAS with dsDNA and bound ATP with 5 mM Mn2+
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MANGANESE (II) ION, ...
著者Wu, S, Sohn, J.
登録日2023-04-20
公開日2024-04-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
7JN2
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BU of 7jn2 by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder441 inhibitor
分子名称: 3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, CHLORIDE ION, ...
著者Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-08-03
公開日2020-08-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder441
to be published
7LM3
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BU of 7lm3 by Molmil
Crystal Structure of Thr316Ala mutant of JAMM domain of S. pombe
分子名称: AMSH-like protease sst2, PHOSPHATE ION, ZINC ION
著者Shrestha, R, Das, C.
登録日2021-02-05
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the Thr316Ala mutant of a yeast JAMM deubiquitinase: implication of active-site loop dynamics in catalysis.
Acta Crystallogr.,Sect.F, 77, 2021
1GQJ
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BU of 1gqj by Molmil
Structure of Pseudomonas cellulosa alpha-D-glucuronidase complexed with xylobiose
分子名称: 1,2-ETHANEDIOL, ALPHA-D-GLUCURONIDASE, COBALT (II) ION, ...
著者Nurizzo, D, Nagy, T, Gilbert, H.J, Davies, G.J.
登録日2001-11-26
公開日2002-09-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Structural Basis for Catalysis and Specificity of the Pseudomonas Cellulosa Alpha-Glucuronidase, Glca67A
Structure, 10, 2002
1ULX
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BU of 1ulx by Molmil
Partially photolyzed structure of CO-bound heme-heme oxygenase complex
分子名称: CARBON MONOXIDE, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Sugishima, M, Sakamoto, H, Noguchi, M, Fukuyama, K.
登録日2003-09-16
公開日2004-08-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CO-trapping site in heme oxygenase revealed by photolysis of its co-bound heme complex: mechanism of escaping from product inhibition
J.Mol.Biol., 341, 2004
3N8T
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BU of 3n8t by Molmil
Native structure of TK1436, a GH57 branching enzyme from hyperthermophilic archaeon Thermococcus kodakaraensis
分子名称: DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, alpha-amylase, ...
著者Santos, C.R, Tonoli, C.C.C, Trindade, D.M, Betzel, C, Takata, H, Kuriki, T, Kanai, T, Imanaka, T, Arni, R.K, Murakami, M.T.
登録日2010-05-28
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for branching-enzyme activity of glycoside hydrolase family 57: Structure and stability studies of a novel branching enzyme from the hyperthermophilic archaeon Thermococcus Kodakaraensis KOD1.
Proteins, 79, 2011
8SV1
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BU of 8sv1 by Molmil
Caspase-1 complex with interleukin-18
分子名称: Caspase-1, Interleukin-18
著者Dong, Y, Pascal, D, Jon, K, Wu, H.
登録日2023-05-15
公開日2024-05-08
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Caspase-1 complex with interleukin-18
To Be Published
1H56
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BU of 1h56 by Molmil
Structural and biochemical characterization of a new magnesium ion binding site near Tyr94 in the restriction endonuclease PvuII
分子名称: MAGNESIUM ION, TYPE II RESTRICTION ENZYME PVUII
著者Spyrida, A, Matzen, C, Lanio, T, Jeltsch, A, Simoncsits, A, Athanasiadis, A, Scheuring-Vanamee, E, Kokkinidis, M, Pingoud, A.
登録日2001-05-20
公開日2003-08-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and Biochemical Characterization of a New Mg(2+) Binding Site Near Tyr94 in the Restriction Endonuclease PvuII.
J.Mol.Biol., 331, 2003
6NAO
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Discovery of a high affinity inhibitor of cGAS
分子名称: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION
著者Hall, J.
登録日2018-12-06
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
3N92
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Crystal structure of TK1436, a GH57 branching enzyme from hyperthermophilic archaeon Thermococcus kodakaraensis, in complex with glucose
分子名称: alpha-amylase, GH57 family, beta-D-glucopyranose
著者Santos, C.R, Tonoli, C.C.C, Trindade, D.M, Betzel, C, Takata, H, Kuriki, T, Kanai, T, Imanaka, T, Arni, R.K, Murakami, M.T.
登録日2010-05-28
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structural basis for branching-enzyme activity of glycoside hydrolase family 57: Structure and stability studies of a novel branching enzyme from the hyperthermophilic archaeon Thermococcus Kodakaraensis KOD1.
Proteins, 79, 2011
6NFG
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CYCLIC GMP-AMP SYNTHASE in complex with compound 16 inhibitor: 7-hydroxy-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
分子名称: 7-hydroxy-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide, CYCLIC GMP-AMP SYNTHASE, ZINC ION
著者Hall, J.
登録日2018-12-20
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Discovery of a high affinity inhibitor of cGAS
to be published

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件を2024-07-17に公開中

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