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5O20
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Structure of Nrd1 RNA binding domain in complex with RNA (UUAGUAAUCC)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Protein NRD1, RNA (5'-R(*UP*AP*GP*UP*AP*AP*UP*C)-3')
著者Franco-Echevarria, E, Perez-Canadillas, J.M, Gonzalez, B.
登録日2017-05-19
公開日2017-08-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献The structure of transcription termination factor Nrd1 reveals an original mode for GUAA recognition.
Nucleic Acids Res., 45, 2017
2WR0
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Structures of influenza H2 Hemagglutinins
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, HEMAGGLUTININ, ...
著者Liu, J, Stevens, D, Haire, L, Coombs, P, Russell, R, Gamblin, S, Skehel, J.
登録日2009-08-28
公開日2009-09-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WR5
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structure of influenza H2 duck Ontario hemagglutinin
分子名称: HEMAGGLUTININ
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-08-29
公開日2009-09-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WRF
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structure of H2 avian jena hemagglutinin with human receptor
分子名称: HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-09-01
公開日2009-09-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
7BO7
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CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJB44355437
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Brown, D, Robinson, C, Carr, K.H, Pande, V.
登録日2021-01-24
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJB44355437
To Be Published
6HDW
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Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in the postadenylation state in complex with 2-HIB-AMP
分子名称: 2-hydroxyisobutyryl-CoA synthetase, SULFATE ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate
著者Zahn, M, Rohwerder, T, Strater, N.
登録日2018-08-20
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of 2-Hydroxyisobutyric Acid-CoA Ligase Reveal Determinants of Substrate Specificity and Describe a Multi-Conformational Catalytic Cycle.
J.Mol.Biol., 431, 2019
1YQQ
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Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene
分子名称: GUANINE, PHOSPHATE ION, Xanthosine phosphorylase
著者Dandanell, G, Szczepanowski, R.H, Kierdaszuk, B, Shugar, D, Bochtler, M.
登録日2005-02-02
公開日2005-04-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Escherichia coli Purine Nucleoside Phosphorylase II, the Product of the xapA Gene
J.Mol.Biol., 348, 2005
3DJW
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BU of 3djw by Molmil
The thermo- and acido-stable ORF-99 from the archaeal virus AFV1
分子名称: ORF99
著者Goulet, A, Spinelli, S, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V.
登録日2008-06-24
公開日2009-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The thermo- and acido-stable ORF-99 from the archaeal virus AFV1
Protein Sci., 18, 2009
1KP6
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USTILAGO MAYDIS KILLER TOXIN KP6 ALPHA-SUBUNIT
分子名称: PROTEIN (TOXIN), SULFATE ION
著者Li, N, Erman, M, Pangborn, W, Duax, W.L, Park, C.-M, Bruenn, J, Ghosh, D.
登録日1999-05-28
公開日1999-07-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of Ustilago maydis killer toxin KP6 alpha-subunit. A multimeric assembly with a central pore.
J.Biol.Chem., 274, 1999
5QD8
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Crystal structure of BACE complex with BMC003
分子名称: (3S,14R,16S)-16-[(1R)-2-{[(4S)-2,2-dimethyl-6-(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino}-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione, Beta-secretase 1
著者Ostermann, N, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
2WR4
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structure of influenza H2 duck Ontario hemagglutinin with human receptor
分子名称: HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-08-29
公開日2009-09-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
1RG4
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SP-B C-terminal peptide in organic solvent (HFIP)
分子名称: Pulmonary surfactant-associated protein B
著者Booth, V, Waring, A.J, Walther, F.J, Keough, K.M.
登録日2003-11-11
公開日2004-09-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR Structures of the C-Terminal Segment of Surfactant Protein B in Detergent Micelles and Hexafluoro-2-propanol.
Biochemistry, 43, 2004
3FRH
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BU of 3frh by Molmil
Structure of the 16S rRNA methylase RmtB, P21
分子名称: 16S rRNA methylase, S-ADENOSYL-L-HOMOCYSTEINE
著者Schmitt, E, Galimand, M, Panvert, M, Dupechez, M, Courvalin, P, Mechulam, Y.
登録日2009-01-08
公開日2009-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural bases for 16 S rRNA methylation catalyzed by ArmA and RmtB methyltransferases
J.Mol.Biol., 388, 2009
5QCV
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BU of 5qcv by Molmil
Crystal structure of BACE complex with BMC023
分子名称: (10S,13S)-13-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione, Beta-secretase 1
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
1RK4
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Crystal Structure of a Soluble Dimeric Form of Oxidised CLIC1
分子名称: CHLORIDE INTRACELLULAR CHANNEL PROTEIN 1
著者Littler, D.R, Harrop, S.J, Fairlie, W.D, Brown, L.J, Pankhurst, G.J, Pankhurst, S, DeMaere, M.Z, Campbell, T.J, Bauskin, A.R, Tonini, R, Mazzanti, M, Breit, S.N, Curmi, P.M.
登録日2003-11-20
公開日2003-12-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献The Intracellular Chloride Ion Channel Protein CLIC1 Undergoes a Redox-controlled Structural Transition
J.Biol.Chem., 279, 2004
5WEW
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Crystal structure of Klebsiella pneumoniae fosfomycin resistance protein (FosAKP) with inhibitor (ANY1) bound
分子名称: 6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one), Fosfomycin resistance protein, MANGANESE (II) ION
著者Klontz, E.H, Sundberg, E.J.
登録日2017-07-10
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.178 Å)
主引用文献Small-Molecule Inhibitor of FosA Expands Fosfomycin Activity to Multidrug-Resistant Gram-Negative Pathogens.
Antimicrob. Agents Chemother., 63, 2019
6H82
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Cryo-EM structure of the archaeal extremophilic internal membrane containing Haloarcula hispanica icosahedral virus 2 (HHIV-2) at 3.78 Angstroms resolution.
分子名称: GPS III, Uncharacterized protein, VP16 (vertex complex), ...
著者Abrescia, N.G, Santos-Perez, I, Charro, D.
登録日2018-08-01
公開日2019-04-03
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Structural basis for assembly of vertical single beta-barrel viruses.
Nat Commun, 10, 2019
5WBE
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COX-1:MOFEZOLAC COMPLEX STRUCTURE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mofezolac, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Cingolani, G, Panella, A, Perrone, M.G, Vitale, P, Smith, W.L, Scilimati, A.
登録日2017-06-28
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6).
Eur J Med Chem, 138, 2017
5N5O
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Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-cyclopropylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (Cinnamoyl-cyclopropylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)butanamide, Replicase polyprotein 1ab
著者Zhang, L, Hilgenfeld, R.
登録日2017-02-14
公開日2018-03-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
6HE0
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Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in complex with 2-HIB-AMP and CoA in the thioesterfication state
分子名称: 2-hydroxyisobutyryl-CoA synthetase, ADENOSINE MONOPHOSPHATE, COENZYME A, ...
著者Zahn, M, Rohwerder, T, Strater, N.
登録日2018-08-20
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structures of 2-Hydroxyisobutyric Acid-CoA Ligase Reveal Determinants of Substrate Specificity and Describe a Multi-Conformational Catalytic Cycle.
J.Mol.Biol., 431, 2019
1RG3
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SP-B C-terminal peptide in SDS micelles
分子名称: Pulmonary surfactant-associated protein B
著者Booth, V, Waring, A.J, Walther, F.J, Keough, K.M.
登録日2003-11-11
公開日2004-09-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR Structures of the C-Terminal Segment of Surfactant Protein B in Detergent Micelles and Hexafluoro-2-propanol.
Biochemistry, 43, 2004
1KEJ
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Crystal Structure of Murine Terminal Deoxynucleotidyl Transferase complexed with ddATP
分子名称: 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, COBALT (II) ION, SODIUM ION, ...
著者Delarue, M, Boule, J.B, Lescar, J, Expert-Bezancon, N, Jourdan, N, Sukumar, N, Rougeon, F, Papanicolaou, C.
登録日2001-11-16
公開日2002-05-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of a template-independent DNA polymerase: murine terminal deoxynucleotidyltransferase.
EMBO J., 21, 2002
7CJF
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Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
著者Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z.
登録日2020-07-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.108 Å)
主引用文献A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
5WI7
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Structure of Acinetobacter baumannii carbapenemase OXA-239 K82D bound to doripenem
分子名称: (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, OXA-239
著者Harper, T.M, June, C.M, Powers, R.A, Leonard, D.A.
登録日2017-07-18
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献Multiple substitutions lead to increased loop flexibility and expanded specificity in Acinetobacter baumannii carbapenemase OXA-239.
Biochem. J., 475, 2018
2CD2
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LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
分子名称: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Galitsky, N, Rak, D, Luft, J, Pangborn, W, Queener, S.
登録日1999-03-15
公開日2000-03-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999

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