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5VYH
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BU of 5vyh by Molmil
Crystal Structure of MERS-CoV S1 N-terminal Domain
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ...
著者Wang, N, Wrapp, D, Pallesen, J, Ward, A.B, McLellan, J.S.
登録日2017-05-25
公開日2017-08-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3U0Y
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BU of 3u0y by Molmil
Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with compound 382 and UDP
分子名称: 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine, GLYCEROL, Histo-blood group ABO system transferase, ...
著者Palcic, M.M, Jorgensen, R.
登録日2011-09-29
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A novel compound from a molecular fragment library screen inhibits glycosyltransferases by displacing the metal ion and interfering with substrate binding
To be Published
6DVS
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BU of 6dvs by Molmil
Crystal structure of Pseudomonas stutzeri D-phenylglycine aminotransferase
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Couture, J.F, Chica, R.
登録日2018-06-25
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.821 Å)
主引用文献Structural Determinants of the Stereoinverting Activity of Pseudomonas stutzeri d-Phenylglycine Aminotransferase.
Biochemistry, 57, 2018
4G11
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BU of 4g11 by Molmil
X-ray structure of PI3K-gamma bound to a 4-(morpholin-4-yl)- (6-oxo-1,6-dihydropyrimidin-2-yl)amide inhibitor
分子名称: 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Morales, R.
登録日2012-07-10
公開日2012-11-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Preparation and optimization of new 4-(morpholin-4-yl)-(6-oxo-1,6-dihydropyrimidin-2-yl)amide derivatives as PI3K beta inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
1W4H
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BU of 1w4h by Molmil
Peripheral-subunit from mesophilic, thermophilic and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
分子名称: DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE
著者Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Fersht, A.R.
登録日2004-07-23
公開日2005-07-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
3GBS
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BU of 3gbs by Molmil
Crystal structure of Aspergillus oryzae cutinase
分子名称: Cutinase 1
著者Gosser, Y, Lu, Z, Alemu, G, Li, H, Kong, X, Liu, Z, Montclare, J.
登録日2009-02-20
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and functional studies of Aspergillus oryzae cutinase: enhanced thermostability and hydrolytic activity of synthetic ester and polyester degradation.
J.Am.Chem.Soc., 131, 2009
6CEO
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BU of 6ceo by Molmil
Structure of Hsp90 NTD with a GRP94-selective resorcinylic inhibitor.
分子名称: 1,2-ETHANEDIOL, Heat shock protein HSP 90-alpha, MAGNESIUM ION, ...
著者Que, N.L.S, Gewirth, D.T.
登録日2018-02-12
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
1W4F
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BU of 1w4f by Molmil
Peripheral-subunit from mesophilic, thermophilic and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
分子名称: DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE
著者Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Fersht, A.R.
登録日2004-07-23
公開日2005-07-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
4DXT
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BU of 4dxt by Molmil
Human SUN2 (AA 522-717)
分子名称: POTASSIUM ION, SUN domain-containing protein 2
著者Sosa, B, Schwartz, T.U.
登録日2012-02-28
公開日2012-06-06
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献LINC Complexes Form by Binding of Three KASH Peptides to Domain Interfaces of Trimeric SUN Proteins.
Cell(Cambridge,Mass.), 149, 2012
3SRZ
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BU of 3srz by Molmil
Clostridium difficile toxin A (TcdA) glucolsyltransferase domain bound to UDP-glucose
分子名称: MANGANESE (II) ION, Toxin A, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Pruitt, R.N, Chumbler, N.M, Farrow, M.A, Seeback, S.A, Friedman, D.B, Spiller, B.W, Lacy, D.B.
登録日2011-07-07
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structural Determinants of Clostridium difficile Toxin A Glucosyltransferase Activity.
J.Biol.Chem., 287, 2012
3S41
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Glucokinase in complex with activator and glucose
分子名称: Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ...
著者Liu, S.
登録日2011-05-18
公開日2011-09-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus
MEDCHEMCOMM, 2, 2011
3SS1
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BU of 3ss1 by Molmil
Clostridium difficile toxin A (TcdA) glucolsyltransferase domain
分子名称: MANGANESE (II) ION, Toxin A
著者Pruitt, R.N, Chumbler, N.M, Farrow, M.A, Seeback, S.A, Friedman, D.B, Spiller, B.W, Lacy, D.B.
登録日2011-07-07
公開日2012-02-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Structural Determinants of Clostridium difficile Toxin A Glucosyltransferase Activity.
J.Biol.Chem., 287, 2012
1W4J
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BU of 1w4j by Molmil
Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
分子名称: PYRUVATE DEHYDROGENASE E2
著者Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R.
登録日2004-07-23
公開日2005-07-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ultra-fast barrier-limited folding in the peripheral subunit-binding domain family.
J. Mol. Biol., 353, 2005
1W4G
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BU of 1w4g by Molmil
Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state folding transitions
分子名称: DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE
著者Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R.
登録日2004-07-23
公開日2005-07-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
5W9I
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BU of 5w9i by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
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, G4 VH, ...
著者Pallesen, J, Ward, A.B.
登録日2017-06-23
公開日2017-08-16
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9O
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BU of 5w9o by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
分子名称: G4 VH, G4 VL, Spike glycoprotein
著者Pallesen, J, Ward, A.B.
登録日2017-06-23
公開日2017-08-16
最終更新日2020-01-01
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3U0X
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BU of 3u0x by Molmil
Crystal structure of the B-specific-1,3-galactosyltransferase (GTB) in complex with compound 382
分子名称: 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine, CHLORIDE ION, GLYCEROL, ...
著者Palcic, M.M, Jorgensen, R.
登録日2011-09-29
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A novel compound from a molecular fragment library screen inhibits glycosyltransferases by displacing the metal ion and interfering with substrate binding
To be Published
1W5D
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BU of 1w5d by Molmil
Crystal structure of PBP4a from Bacillus subtilis
分子名称: CALCIUM ION, PENICILLIN-BINDING PROTEIN
著者Sauvage, E, Herman, R, Petrella, S, Duez, C, Frere, J.M, Charlier, P.
登録日2004-08-06
公開日2005-12-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the Bacillus Subtilis Penicillin-Binding Protein 4A, and its Complex with a Peptidoglycan Mimetic Peptide.
J.Mol.Biol., 371, 2007
5UIY
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BU of 5uiy by Molmil
Structure of Bromodomain from human BAZ1A
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain adjacent to zinc finger domain protein 1A
著者Oppikofer, M, Sudhamsu, J.
登録日2017-01-16
公開日2017-07-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.687 Å)
主引用文献Non-canonical reader modules of BAZ1A promote recovery from DNA damage.
Nat Commun, 8, 2017
1W4E
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BU of 1w4e by Molmil
Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
分子名称: DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE
著者Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R.
登録日2004-07-23
公開日2005-07-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
1W4K
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BU of 1w4k by Molmil
Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
分子名称: PYRUVATE DEHYDROGENASE E2
著者Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R.
登録日2004-07-23
公開日2005-07-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
1W4I
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BU of 1w4i by Molmil
Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
分子名称: PYRUVATE DEHYDROGENASE E2
著者Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R.
登録日2004-07-23
公開日2005-07-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
3OZI
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BU of 3ozi by Molmil
Crystal structure of the TIR domain from the flax disease resistance protein L6
分子名称: COBALT (II) ION, L6tr
著者Ve, T, Bernoux, M, Williams, S, Valkov, E, Warren, C, Hatters, D, Ellis, J.G, Dodds, P.N, Kobe, B.
登録日2010-09-25
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Functional Analysis of a Plant Resistance Protein TIR Domain Reveals Interfaces for Self-Association, Signaling, and Autoregulation.
Cell Host Microbe, 9, 2011
6C91
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BU of 6c91 by Molmil
Structure of GRP94 with a resorcinylic inhibitor.
分子名称: 1,2-ETHANEDIOL, 5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol, Endoplasmin, ...
著者Que, N.L.S, Gewirth, D.T.
登録日2018-01-25
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.895 Å)
主引用文献Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
5VZR
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BU of 5vzr by Molmil
Crystal Structure of MERS-CoV neutralizing antibody G4 Fab
分子名称: G4 antibody heavy chain, G4 antibody light chain, GLYCEROL
著者Wang, N, Wrapp, D, McLellan, J.S.
登録日2017-05-29
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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