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2KB6
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BU of 2kb6 by Molmil
Solution structure of onconase C87A/C104A
分子名称: Protein P-30
著者Weininger, U, Schulenburg, C, Arnold, U, Ulbrich-Hofmann, R, Balbach, J.
登録日2008-11-21
公開日2009-11-24
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Impact of the C-terminal disulfide bond on the folding and stability of onconase.
Chembiochem, 11, 2010
7NXA
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BU of 7nxa by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 B.1.351 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NXB
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BU of 7nxb by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NXC
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Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX6
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BU of 7nx6 by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab Heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX9
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Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX7
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Crystal structure of the K417N mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX8
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BU of 7nx8 by Molmil
Crystal structure of the K417T mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
3JZF
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BU of 3jzf by Molmil
Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazoles series
分子名称: 2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide, Biotin carboxylase, CARBONATE ION
著者Orth, P.
登録日2009-09-23
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery and optimization of antibacterial AccC inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3QDA
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BU of 3qda by Molmil
Crystal structure of W95L beta-2 microglobulin
分子名称: Beta-2-microglobulin, TRIETHYLENE GLYCOL
著者Ricagno, S, Bellotti, V, Bolognesi, M.
登録日2011-01-18
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The two tryptophans of beta2-microglobulin have distinct roles in function and folding and might represent two independent responses to evolutionary pressure.
BMC Evol Biol, 11, 2011
1GFF
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BU of 1gff by Molmil
THE ATOMIC STRUCTURE OF THE DEGRADED PROCAPSID PARTICLE OF THE BACTERIOPHAGE G4: INDUCED STRUCTURAL CHANGES IN THE PRESENCE OF CALCIUM IONS AND FUNCTIONAL IMPLICATIONS
分子名称: BACTERIOPHAGE G4 CAPSID PROTEINS GPF, GPG, GPJ
著者Rossmann, M.G.
登録日1995-11-06
公開日1996-04-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Atomic structure of the degraded procapsid particle of the bacteriophage G4: induced structural changes in the presence of calcium ions and functional implications.
J.Mol.Biol., 256, 1996
3SUC
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BU of 3suc by Molmil
Crystal structure of the pre-mature bacteriophage phi29 gene product 12
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
著者Xiang, Y, Rossmann, M.G.
登録日2011-07-11
公開日2011-08-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystallographic Insights Into the Autocatalytic Assembly Mechanism of a Bacteriophage Tail Spike
Mol.Cell, 34, 2009
2YI7
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BU of 2yi7 by Molmil
Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors.
分子名称: 4-CHLORO-6-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2011-05-10
公開日2012-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Co-Crystalization and in Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3-Thiadiazole Hsp90 Inhibitors.
Plos One, 7, 2012
3KYR
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BU of 3kyr by Molmil
Bace-1 in complex with a norstatine type inhibitor
分子名称: 3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid, Beta-secretase 1
著者Lindberg, J.D, Borkakoti, N, Derbyshire, D, Nystrom, S.
登録日2009-12-07
公開日2010-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Investigation of a-phenylnorstatine and a-benzylnorstatine as transition state isostere motifs in the search for new BACE-1 inhibiotrs
To be Published
2F98
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BU of 2f98 by Molmil
Crystal structure of the polyketide cyclase AknH with bound substrate and product analogue: implications for catalytic mechanism and product stereoselectivity.
分子名称: Aklanonic Acid methyl Ester Cyclase, AknH, METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-1-CARBOXYLATE, ...
著者Kallio, P, Sultana, A, Neimi, J, Mantsala, P, Schneider, G.
登録日2005-12-05
公開日2006-02-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the polyketide cyclase AknH with bound substrate and product analogue: implications for catalytic mechanism and product stereoselectivity.
J.Mol.Biol., 357, 2006
7S0E
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BU of 7s0e by Molmil
Structure of the SARS-CoV-2 S1 subunit in complex with antibody N-612-004
分子名称: N-612-004 Fab heavy chain, N-612-004 Light Chain, Spike glycoprotein
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-08-30
公開日2021-10-06
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display.
Cell Rep, 38, 2022
7S0D
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BU of 7s0d by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody N-612-014
分子名称: N-612-014 Fab Heavy Chain, N-612-014 Light Chain, Spike glycoprotein
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-08-30
公開日2021-10-06
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display.
Cell Rep, 38, 2022
7S0B
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BU of 7s0b by Molmil
Structure of the SARS-CoV-2 RBD in complex with neutralizing antibody N-612-056
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-612-056 Fab Heavy Chain, N-612-056 Light Chain, ...
著者Tanaka, S, Barnes, C.O, Bjorkman, P.J.
登録日2021-08-30
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display.
Cell Rep, 38, 2022
7S0C
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BU of 7s0c by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody N-612-017
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, N-612-017 Fab Heavy Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-08-30
公開日2021-10-06
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display.
Cell Rep, 38, 2022
3OMK
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BU of 3omk by Molmil
Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide
分子名称: (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide, Bile acid receptor, peptide of Nuclear receptor coactivator 1
著者Rudolph, M.G.
登録日2010-08-27
公開日2011-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
2F99
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BU of 2f99 by Molmil
Crystal structure of the polyketide cyclase AknH with bound substrate and product analogue: implications for catalytic mechanism and product stereoselectivity.
分子名称: Aklanonic Acid methyl Ester Cyclase, AknH, SULFATE ION, ...
著者Kallio, P, Sultana, A, Neimi, J, Mantsala, P, Schneider, G.
登録日2005-12-05
公開日2006-02-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the polyketide cyclase AknH with bound substrate and product analogue: implications for catalytic mechanism and product stereoselectivity.
J.Mol.Biol., 357, 2006
7A6Y
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BU of 7a6y by Molmil
Structure of 14-3-3 gamma in complex with DAPK2 peptide stabilized by FC-A
分子名称: 14-3-3 protein gamma, DAPK2 C-terminal peptide, FUSICOCCIN
著者Horvath, M, Obsilova, V, Obsil, T.
登録日2020-08-27
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献14-3-3 proteins inactivate DAPK2 by promoting its dimerization and protecting key regulatory phosphosites.
Commun Biol, 4, 2021
4OK9
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Crystal structure of the single-stranded RNA binding protein HutP from Geobacillus thermodenitrificans
分子名称: HISTIDINE, Hut operon positive regulatory protein, MAGNESIUM ION
著者Thiruselvam, V, Ponnuswamy, M.N, Kumarevel, T.S.
登録日2014-01-22
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of the single-stranded RNA binding protein HutP from Geobacillus thermodenitrificans
Biochem.Biophys.Res.Commun., 446, 2014
3HBR
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Crystal structure of OXA-48 beta-lactamase
分子名称: 1,2-ETHANEDIOL, OXA-48
著者Calderone, V, Mangani, S, Benvenuti, M, Rossolini, G.M, Docquier, J.D.
登録日2009-05-05
公開日2009-06-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the OXA-48 beta-lactamase reveals mechanistic diversity among class D carbapenemases.
Chem.Biol., 16, 2009
7A6R
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Structure of 14-3-3 gamma in complex with DAPK2 peptide containing the 14-3-3 binding motif
分子名称: 14-3-3 protein gamma, DAPK2 C-terminal peptide
著者Horvath, M, Obsilova, V, Obsil, T.
登録日2020-08-26
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献14-3-3 proteins inactivate DAPK2 by promoting its dimerization and protecting key regulatory phosphosites.
Commun Biol, 4, 2021

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