5C2Y
 
 | | Crystal structure of the Saccharomyces cerevisiae Rtr1 (regulator of transcription) | | 分子名称: | GLYCEROL, RNA polymerase II subunit B1 CTD phosphatase RTR1, SULFATE ION, ... | | 著者 | Yogesha, S.D, Irani, S, Zhang, Y.J. | | 登録日 | 2015-06-16 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of Saccharomyces cerevisiae Rtr1 reveals an active site for an atypical phosphatase.
Sci.Signal., 9, 2016
|
|
6LZE
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor 11a | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | 著者 | Zhang, B, Zhang, Y, Jing, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | | 登録日 | 2020-02-19 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.505 Å) | | 主引用文献 | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
|
|
4AAH
 | | METHANOL DEHYDROGENASE FROM METHYLOPHILUS W3A1 | | 分子名称: | CALCIUM ION, METHANOL DEHYDROGENASE, PYRROLOQUINOLINE QUINONE | | 著者 | Mathews, F.S, Xia, Z.-X. | | 登録日 | 1996-03-10 | | 公開日 | 1996-12-07 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Determination of the gene sequence and the three-dimensional structure at 2.4 angstroms resolution of methanol dehydrogenase from Methylophilus W3A1.
J.Mol.Biol., 259, 1996
|
|
7UFV
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | | 分子名称: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION | | 著者 | Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2022-03-23 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of Nanomolar DCAF1 Small Molecule Ligands.
J.Med.Chem., 66, 2023
|
|
6FWG
 | | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with tetramannoside yeast mannan fragment | | 分子名称: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside | | 著者 | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | 登録日 | 2018-03-06 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
|
|
6FWM
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-1,2-anhydro-mannose hydrolyzed by enzyme | | 分子名称: | (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Glycosyl hydrolase family 71, ... | | 著者 | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | 登録日 | 2018-03-06 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
|
|
6FWQ
 | | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose | | 分子名称: | Glycosyl hydrolase family 71, SODIUM ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | | 著者 | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | 登録日 | 2018-03-07 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
|
|
5C0S
 | | Crystal structure of a generation 4 influenza hemagglutinin stabilized stem in complex with the broadly neutralizing antibody CR6261 | | 分子名称: | CR6261 antibody heavy chain, CR6261 antibody light chain, Hemagglutinin, ... | | 著者 | Boyington, J.C, Kwong, P.D, Nabel, G.J, Mascola, J.R. | | 登録日 | 2015-06-12 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (4.3 Å) | | 主引用文献 | Hemagglutinin-stem nanoparticles generate heterosubtypic influenza protection.
Nat. Med., 21, 2015
|
|
8IV5
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 1C4 (local refinement) | | 分子名称: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | | 著者 | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | 登録日 | 2023-03-26 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.77 Å) | | 主引用文献 | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
|
|
8IV8
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 3E2 and 1C4 (local refinement) | | 分子名称: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | | 著者 | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | 登録日 | 2023-03-26 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.92 Å) | | 主引用文献 | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
|
|
8IVA
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs XMA01 and 3E2 (local refinement) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | | 著者 | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | 登録日 | 2023-03-26 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.95 Å) | | 主引用文献 | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
|
|
8IV4
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | | 著者 | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | 登録日 | 2023-03-26 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.59 Å) | | 主引用文献 | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
|
|
8TTY
 | | Crystal structure of monkey TLR7 ectodomain with compound 5 | | 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~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine, ... | | 著者 | Critton, D.A. | | 登録日 | 2023-08-15 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | | 主引用文献 | Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
|
|
2MVT
 | | Solution structure of scoloptoxin SSD609 from Scolopendra mutilans | | 分子名称: | Scoloptoxin SSD609 | | 著者 | Wu, F, Sun, P, Wang, C, He, Y, Zhang, L, Tian, C. | | 登録日 | 2014-10-14 | | 公開日 | 2015-09-23 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A distinct three-helix centipede toxin SSD609 inhibits Iks channels by interacting with the KCNE1 auxiliary subunit.
Sci Rep, 5, 2015
|
|
8TTZ
 | | Crystal structure of monkey TLR7 ectodomain with compound 20 | | 分子名称: | (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Critton, D.A. | | 登録日 | 2023-08-15 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | | 主引用文献 | Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
|
|
4EGF
 | |
4YGY
 | |
5UT7
 | | Wild-type sperm whale myoglobin with nitrite | | 分子名称: | GLYCEROL, Myoglobin, NITRITE ION, ... | | 著者 | Wang, B, Thomas, L.M, Richter-Addo, G.B. | | 登録日 | 2017-02-14 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
|
|
4EYE
 | |
7XSP
 | | Structure of gRAMP-target RNA | | 分子名称: | RAMP superfamily protein, RNA (35-MER), RNA (5'-R(P*GP*GP*GP*GP*CP*AP*GP*AP*AP*AP*AP*UP*UP*GP*G)-3'), ... | | 著者 | Feng, Y, Zhang, L.X. | | 登録日 | 2022-05-15 | | 公開日 | 2022-11-09 | | 最終更新日 | 2022-12-14 | | 実験手法 | ELECTRON MICROSCOPY (2.89 Å) | | 主引用文献 | Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
|
|
7OJY
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 6 | | 分子名称: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION | | 著者 | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | 登録日 | 2021-05-17 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
|
|
7XSR
 | | Structure of Craspase-target RNA | | 分子名称: | CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ... | | 著者 | Feng, Y, Zhang, L. | | 登録日 | 2022-05-15 | | 公開日 | 2022-11-09 | | 最終更新日 | 2022-12-14 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
|
|
7XSQ
 | | Structure of the Craspase | | 分子名称: | CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ... | | 著者 | Feng, Y, Zhang, L. | | 登録日 | 2022-05-15 | | 公開日 | 2022-11-09 | | 最終更新日 | 2022-12-14 | | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | | 主引用文献 | Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
|
|
7XUF
 | | Cryo-EM structure of the AKT1-AtKC1 complex from Arabidopsis thaliana | | 分子名称: | POTASSIUM ION, Potassium channel AKT1, Potassium channel KAT3 | | 著者 | Yang, G.H, Lu, Y.M, Jia, Y.T, Yang, F, Zhang, Y.M, Xu, X, Li, X.M, Lei, J.L. | | 登録日 | 2022-05-18 | | 公開日 | 2022-11-09 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural basis for the activity regulation of a potassium channel AKT1 from Arabidopsis.
Nat Commun, 13, 2022
|
|
7OK1
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3 | | 分子名称: | Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide | | 著者 | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | 登録日 | 2021-05-17 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
|
|
