5U62
| Crystal structure of EED in complex with H3K27Me3 peptide and 6-(benzo[d][1,3]dioxol-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine | 分子名称: | (6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ... | 著者 | Bussiere, D, Shu, W. | 登録日 | 2016-12-07 | 公開日 | 2017-01-11 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase. J. Med. Chem., 60, 2017
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5NET
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5T0J
| Structural basis for dynamic regulation of the human 26S proteasome | 分子名称: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | 著者 | Chen, S, Wu, J, Lu, Y, Ma, Y.B, Lee, B.H, Yu, Z, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. | 登録日 | 2016-08-16 | 公開日 | 2016-10-19 | 最終更新日 | 2016-11-30 | 実験手法 | ELECTRON MICROSCOPY (8 Å) | 主引用文献 | Structural basis for dynamic regulation of the human 26S proteasome. Proc.Natl.Acad.Sci.USA, 113, 2016
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5O25
| Structure of wildtype T.maritima PDE (TM1595) in ligand-free state | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... | 著者 | Witte, G, Drexler, D, Mueller, M. | 登録日 | 2017-05-19 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural and Biophysical Analysis of the Soluble DHH/DHHA1-Type Phosphodiesterase TM1595 from Thermotoga maritima. Structure, 25, 2017
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5U5H
| Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine | 分子名称: | (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED | 著者 | Bussiere, D, Shu, W. | 登録日 | 2016-12-06 | 公開日 | 2017-01-11 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase. J. Med. Chem., 60, 2017
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5TRZ
| Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YQSGLSIVM) | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | 著者 | Jiang, J, Natarajan, K, Margulies, D. | 登録日 | 2016-10-27 | 公開日 | 2018-05-09 | 最終更新日 | 2019-08-14 | 実験手法 | X-RAY DIFFRACTION (2.247 Å) | 主引用文献 | MHC-restricted Ag85B-specific CD8+T cells are enhanced by recombinant BCG prime and DNA boost immunization in mice. Eur.J.Immunol., 2019
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5O23
| Crystal structure of WNK3 kinase domain in a monophosphorylated apo state | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Serine/threonine-protein kinase WNK3 | 著者 | Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Sethi, R, Newman, J.A, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | 登録日 | 2017-05-19 | 公開日 | 2017-06-28 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Crystal structure of WNK3 kinase domain in a monophosphorylated apo state To Be Published
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5O4Z
| Structure of the inactive T.maritima PDE (TM1595) D80N D154N mutant with substrate 5'-pApA | 分子名称: | ADENOSINE-5'-MONOPHOSPHATE, CHLORIDE ION, DHH/DHHA1-type phosphodiesterase TM1595, ... | 著者 | Witte, G, Drexler, D, Mueller, M. | 登録日 | 2017-05-31 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural and Biophysical Analysis of the Soluble DHH/DHHA1-Type Phosphodiesterase TM1595 from Thermotoga maritima. Structure, 25, 2017
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5OA6
| Crystal structure of ScGas2 in complex with compound 12 | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | 著者 | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | 登録日 | 2017-06-21 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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5O70
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5O58
| Structure of the inactive T.maritima PDE (TM1595) D80N D154N mutant with substrate 5'-pApG | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, ISOPROPYL ALCOHOL, ... | 著者 | Witte, G, Drexler, D, Mueller, M. | 登録日 | 2017-06-01 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural and Biophysical Analysis of the Soluble DHH/DHHA1-Type Phosphodiesterase TM1595 from Thermotoga maritima. Structure, 25, 2017
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5O9O
| Crystal structure of ScGas2 in complex with compound 7. | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-(naphthalen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2 | 著者 | Delso, I, Valero-Gonzalez, J, Fang, W, Gomollon-Bel, F, Castro-Lopez, J, Navratilova, I, van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | 登録日 | 2017-06-19 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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5O9Y
| Crystal structure of ScGas2 in complex with compound 11 | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | 著者 | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | 登録日 | 2017-06-20 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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5OEI
| R. palustris Rpa4515 with oxoadipate | 分子名称: | 2-OXOADIPIC ACID, GLYCEROL, SULFATE ION, ... | 著者 | Rosa, L, Rafferty, J, Kelly, D, Dix, S.R. | 登録日 | 2017-07-07 | 公開日 | 2017-11-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structural basis for high-affinity adipate binding to AdpC (RPA4515), an orphan periplasmic-binding protein from the tripartite tricarboxylate transporter (TTT) family in Rhodopseudomonas palustris. FEBS J., 284, 2017
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5O2C
| Crystal structure of WNK3 kinase and CCT1 didomain in a unphosphorylated state | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Serine/threonine-protein kinase WNK3 | 著者 | Bartual, S.G, Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | 登録日 | 2017-05-19 | 公開日 | 2017-06-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of WNK3 kinase and CCT1 didomain in a unphosphorylated state To Be Published
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5TXJ
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5Q1B
| Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | 4-{[(2S)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1H-benzimidazol-1-yl}acetyl]amino}benzoic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q0I
| Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | 2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)ethanamide, Bile acid receptor, COACTIVATOR PEPTIDE PGC-1A PPAR GAMMA COACTIVATOR | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q0Q
| Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q13
| Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | (2S)-2-[6-chloro-2-(4-chlorophenyl)-5-fluoro-1H-benzimidazol-1-yl]-N-cyclohexyl-2-[(2S)-oxan-2-yl]acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5TLB
| Scabin toxin from Streptomyces scabies in complex with NADH | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Scabin | 著者 | Lyons, B, Dutta, D, Ravulapalli, R, Merrill, A.R. | 登録日 | 2016-10-10 | 公開日 | 2017-10-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Characterization of the catalytic signature of Scabin toxin, a DNA-targeting ADP-ribosyltransferase. Biochem. J., 475, 2018
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5NCU
| Structure of the subtilisin induced serpin-type proteinase inhibitor, miropin. | 分子名称: | CHLORIDE ION, GLYCEROL, IODIDE ION, ... | 著者 | Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X. | 登録日 | 2017-03-06 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome. J. Biol. Chem., 292, 2017
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5NCT
| Structure of the trypsin induced serpin-type proteinase inhibitor, miropin. | 分子名称: | ASPARTIC ACID, GLYCEROL, SERINE, ... | 著者 | Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X. | 登録日 | 2017-03-06 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome. J. Biol. Chem., 292, 2017
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5T0G
| Structural basis for dynamic regulation of the human 26S proteasome | 分子名称: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | 著者 | Chen, S, Wu, J, Lu, Y, Ma, Y.B, Lee, B.H, Yu, Z, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. | 登録日 | 2016-08-16 | 公開日 | 2016-10-19 | 最終更新日 | 2016-11-30 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Structural basis for dynamic regulation of the human 26S proteasome. Proc.Natl.Acad.Sci.USA, 113, 2016
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5NKT
| FimA wt from E. coli | 分子名称: | SULFATE ION, Type-1 fimbrial protein, A chain | 著者 | Zyla, D, Capitani, G, Prota, A, Glockshuber, R. | 登録日 | 2017-04-03 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Alternative folding to a monomer or homopolymer is a common feature of the type 1 pilus subunit FimA from enteroinvasive bacteria. J.Biol.Chem., 2019
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