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7RFR
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BU of 7rfr by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
分子名称: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Gajiwala, K.S, Ferre, R.A, Liu, W, Stewart, A.E.
登録日2021-07-14
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.626 Å)
主引用文献An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
2YPQ
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BU of 2ypq by Molmil
3-deoxy-D-arabino-heptulosonate 7-phosphate synthase with tryptophan and tyrosine bound
分子名称: CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Blackmore, N.J, Reichau, S, Jiao, W, Hutton, R.D, Baker, E.N, Jameson, G.B, Parker, E.J.
登録日2012-10-31
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Three Sites and You are Out: Ternary Synergistic Allostery Controls Aromatic Aminoacid Biosynthesis in Mycobacterium Tuberculosis.
J.Mol.Biol., 425, 2013
5E6A
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BU of 5e6a by Molmil
Glucocorticoid receptor DNA binding domain - PLAU NF-kB response element complex
分子名称: DNA (5'-D(*AP*TP*CP*AP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*TP*GP*AP*T)-3'), Glucocorticoid receptor, ...
著者Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A.
登録日2015-10-09
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements.
Nat Commun, 9, 2018
5EA0
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BU of 5ea0 by Molmil
Structure of the antibody 7968 with human complement factor H-derived peptide
分子名称: Complement factor H-related protein 2, Heavy chain of antibody 7968 Fab fragment, Light chain of antibody 7968 Fab fragment
著者Bushey, R.T, Moody, M.A, Nicely, N.I, Alam, S.M, Haynes, B.F, Winkler, M.T, Gottlin, E.B, Campa, M.J, Liao, H.-X, Patz Jr, E.F.
登録日2015-10-15
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Therapeutic Antibody for Cancer, Derived from Single Human B Cells.
Cell Rep, 15, 2016
2G45
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BU of 2g45 by Molmil
Co-crystal structure of znf ubp domain from the deubiquitinating enzyme isopeptidase T (isot) in complex with ubiquitin
分子名称: CHLORIDE ION, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 5, ...
著者Reyes-Turcu, F.E, Horton, J.R, Mullally, J.E, Heroux, A, Cheng, X, Wilkinson, K.D.
登録日2006-02-21
公開日2006-04-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The Ubiquitin Binding Domain ZnF UBP Recognizes the C-Terminal Diglycine Motif of Unanchored Ubiquitin.
Cell(Cambridge,Mass.), 124, 2006
7REX
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BU of 7rex by Molmil
PreQ1-1 (type-1) riboswitch in complex with tandem stacked metabolites
分子名称: 7-DEAZA-7-AMINOMETHYL-GUANINE, MAGNESIUM ION, RNA (34-MER)
著者Jenkins, J.L, Schroeder, G.M, Wedekind, J.E.
登録日2021-07-13
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A small RNA that cooperatively senses two stacked metabolites in one pocket for gene control
Nat Commun, 13, 2022
6D74
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BU of 6d74 by Molmil
Direct Activation of the Executioner Domain of MLKL by a Select Repertoire of Inositol Phosphates
分子名称: Mixed lineage kinase domain-like protein
著者Royappa, G.C, McNamara, D.E, Moldoveanu, T.
登録日2018-04-24
公開日2019-05-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Direct Activation of Human MLKL by a Select Repertoire of Inositol Phosphate Metabolites.
Cell Chem Biol, 26, 2019
3GLL
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BU of 3gll by Molmil
Crystal structure of Polynucleotide Phosphorylase (PNPase) core
分子名称: Polyribonucleotide nucleotidyltransferase
著者Nurmohamed, S, Luisi, B.L.
登録日2009-03-12
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of Escherichia coli polynucleotide phosphorylase core bound to RNase E, RNA and manganese: implications for catalytic mechanism and RNA degradosome assembly.
J.Mol.Biol., 389, 2009
8R6U
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BU of 8r6u by Molmil
Structure of the SFTSV L protein in a transcription-priming state without capped RNA [TRANSCRIPTION-PRIMING (in vitro)]
分子名称: MAGNESIUM ION, RNA (5'-R(P*CP*UP*GP*GP*GP*CP*GP*GP*UP*CP*UP*UP*UP*GP*UP*GP*U)-3'), RNA primer, ...
著者Williams, H.M, Thorkelsson, S.R, Vogel, D, Busch, C, Milewski, M, Cusack, S, Grunewald, K, Quemin, E.R.J, Rosenthal, M.
登録日2023-11-23
公開日2024-04-24
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural snapshots of phenuivirus cap-snatching and transcription.
Nucleic Acids Res., 52, 2024
2FP4
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BU of 2fp4 by Molmil
Crystal structure of pig GTP-specific succinyl-CoA synthetase in complex with GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ...
著者Fraser, M.E.
登録日2006-01-15
公開日2006-02-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Interactions of GTP with the ATP-grasp Domain of GTP-specific Succinyl-CoA Synthetase
J.Biol.Chem., 281, 2006
5JZ9
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BU of 5jz9 by Molmil
Crystal structure of HsaD bound to 3,5-dichloro-4-hydroxybenzenesulphonic acid
分子名称: 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase
著者Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E.
登録日2016-05-16
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
6D71
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BU of 6d71 by Molmil
Crystal Structure of the Human Miro1 N-terminal GTPase bound to GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 1
著者Smith, K.P, Focia, P.J, Rice, S.E, Freymann, D.M.
登録日2018-04-23
公開日2019-10-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7180779 Å)
主引用文献Insight into human Miro1/2 domain organization based on the structure of its N-terminal GTPase.
J.Struct.Biol., 212, 2020
2FPI
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BU of 2fpi by Molmil
Crystal structure of pig GTP-specific succinyl-CoA synthetase from polyethylene glycol
分子名称: SULFATE ION, Succinyl-CoA ligase [GDP-forming] alpha-chain, mitochondrial, ...
著者Fraser, M.E.
登録日2006-01-16
公開日2006-02-21
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Interactions of GTP with the ATP-grasp Domain of GTP-specific Succinyl-CoA Synthetase
J.Biol.Chem., 281, 2006
7QQ3
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BU of 7qq3 by Molmil
Cryo-EM structure of the E.coli 50S ribosomal subunit in complex with the antibiotic Myxovalargin A.
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Koller, T.O, Beckert, B, Wilson, D.N.
登録日2022-01-06
公開日2023-01-18
最終更新日2023-02-01
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献The Myxobacterial Antibiotic Myxovalargin: Biosynthesis, Structural Revision, Total Synthesis, and Molecular Characterization of Ribosomal Inhibition.
J.Am.Chem.Soc., 145, 2023
3H9V
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BU of 3h9v by Molmil
Crystal structure of the ATP-gated P2X4 ion channel in the closed, apo state at 3.1 Angstroms
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GADOLINIUM ATOM, P2X purinoceptor
著者Kawate, T, Michel, J.C, Gouaux, E.
登録日2009-04-30
公開日2009-07-28
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of the ATP-gated P2X(4) ion channel in the closed state.
Nature, 460, 2009
3HA0
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BU of 3ha0 by Molmil
Crystal structure of the IgE-Fc3-4 domains
分子名称: Ig epsilon chain C region, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wurzburg, B.A.
登録日2009-04-30
公開日2009-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conformational flexibility in immunoglobulin E-Fc 3-4 revealed in multiple crystal forms.
J.Mol.Biol., 393, 2009
2G4B
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BU of 2g4b by Molmil
Structure of U2AF65 variant with polyuridine tract
分子名称: 1,4-DIETHYLENE DIOXIDE, 5'-R(P*UP*UP*UP*UP*UP*UP*U)-3', Splicing factor U2AF 65 kDa subunit
著者Sickmier, E.A, Kielkopf, C.L.
登録日2006-02-21
公開日2006-07-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of polypyrimidine tract recognition by the essential splicing factor U2AF65.
Mol.Cell, 23, 2006
2G1S
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BU of 2g1s by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring
分子名称: (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
登録日2006-02-14
公開日2006-06-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
5K50
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BU of 5k50 by Molmil
Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ and L-allo-threonine refined to 2.23 angstroms
分子名称: ACETATE ION, ALLO-THREONINE, GLYCEROL, ...
著者Adjogatse, E.A, Erskine, P.T, Cooper, J.B.
登録日2016-05-22
公開日2017-11-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
5K71
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BU of 5k71 by Molmil
apo Dbr1
分子名称: RNA lariat debranching enzyme, putative, SULFATE ION
著者Clark, N.E, Taylor, A.B, Hart, P.J.
登録日2016-05-25
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures
Proc.Natl.Acad.Sci.USA, 2016
5K89
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BU of 5k89 by Molmil
Crystal Structure of Human Calcium-Bound S100A1
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Protein S100-A1
著者Melville, Z, Aligholizadeh, E, McKnight, L.E, Weber, D, Pozharski, E, Weber, D.J.
登録日2016-05-27
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献X-ray crystal structure of human calcium-bound S100A1.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5K4Y
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BU of 5k4y by Molmil
Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei refined to 1.77 angstroms
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Adjogatse, E.A, Erskine, P.T, Cooper, J.B.
登録日2016-05-22
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
5K73
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as-isolated Dbr1 with Fe(II) and Zn(II)
分子名称: FE (II) ION, HYDROXIDE ION, RNA lariat debranching enzyme, ...
著者Clark, N.E, Taylor, A.B, Hart, P.J.
登録日2016-05-25
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures
Proc.Natl.Acad.Sci.USA, 2016
2GD3
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BU of 2gd3 by Molmil
NMR structure of S14G-humanin in 30% TFE solution
分子名称: Humanin
著者Benaki, D, Zikos, C, Evangelou, A, Livaniou, E, Vlassi, M, Mikros, E, Pelecanou, M.
登録日2006-03-15
公開日2006-09-19
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of Ser14Gly-humanin, a potent rescue factor against neuronal cell death in Alzheimer's disease.
Biochem.Biophys.Res.Commun., 349, 2006
6D7G
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BU of 6d7g by Molmil
Structure of 5F3 TCR in complex with HLA-A2/MART-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MART1 PEPTIDE-BETA-2-MICROGLOBULIN-HLA-A*02 CHIMERA, T-CELL RECEPTOR GAMMA VARIABLE 8,T-CELL RECEPTOR GAMMA-2 CHAIN C REGION, ...
著者Roy, S, Adams, E.J.
登録日2018-04-24
公開日2019-01-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Generation and molecular recognition of melanoma-associated antigen-specific human gamma delta T cells.
Sci Immunol, 3, 2018

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