5M4A
| Neutral trehalase Nth1 from Saccharomyces cerevisiae in complex with trehalose | 分子名称: | Neutral trehalase, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | 著者 | Smidova, A, Alblova, M, Obsilova, V, Obsil, T. | 登録日 | 2016-10-18 | 公開日 | 2017-11-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Molecular basis of the 14-3-3 protein-dependent activation of yeast neutral trehalase Nth1. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1M5Q
| Crystal structure of a novel Sm-like archaeal protein from Pyrobaculum aerophilum | 分子名称: | ACETIC ACID, CADMIUM ION, GLYCEROL, ... | 著者 | Mura, C, Phillips, M, Kozhukhovsky, A, Eisenberg, D. | 登録日 | 2002-07-09 | 公開日 | 2003-03-18 | 最終更新日 | 2017-05-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure and assembly of an augmented Sm-like archaeal protein 14-mer Proc.Natl.Acad.Sci.USA, 100, 2003
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5HA7
| Human Aldose Reductase in Complex with NADP+ and WY14643 in Space Group P212121 | 分子名称: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Sawaya, M.R, Cascio, D, Balendiran, G.K. | 登録日 | 2015-12-30 | 公開日 | 2016-09-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Characterization of WY 14,643 and its Complex with Aldose Reductase. Sci Rep, 6, 2016
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5YSY
| Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2R,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol | 分子名称: | (1R,2R,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e thenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol, Vitamin D3 receptor | 著者 | Takimoto-Kamimura, M, Kakuda, S. | 登録日 | 2017-11-16 | 公開日 | 2018-04-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Effects of 2-substitution on 14-epi-19-nortachysterol-mediated biological events: based on synthesis and X-ray co-crystallographic analysis with the human vitamin D receptor. Org. Biomol. Chem., 16, 2018
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5YT2
| Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol | 分子名称: | (1R,2S,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol, Vitamin D3 receptor | 著者 | Takimoto-Kamimura, M, Kakuda, S. | 登録日 | 2017-11-16 | 公開日 | 2018-04-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Effects of 2-substitution on 14-epi-19-nortachysterol-mediated biological events: based on synthesis and X-ray co-crystallographic analysis with the human vitamin D receptor. Org. Biomol. Chem., 16, 2018
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4FR3
| Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilizer 16-O-Me-FC-H | 分子名称: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside, 14-3-3 protein sigma, MAGNESIUM ION, ... | 著者 | Ottmann, C, Anders, C, Schumacher, B. | 登録日 | 2012-06-26 | 公開日 | 2013-05-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of k(+) channels at the cell surface. Chem.Biol., 20, 2013
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5KRO
| Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Methyl(phenyl)amino-substituted Estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(methyl(phenyl)amino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol | 分子名称: | (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor, NCOA2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2016-07-07 | 公開日 | 2017-01-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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7LAN
| CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine | 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, 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | 著者 | Khan, J.A. | 登録日 | 2021-01-06 | 公開日 | 2021-04-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO). Bioorg.Med.Chem.Lett., 42, 2021
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4OON
| Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid) | 分子名称: | (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, Penicillin-binding protein 1A | 著者 | Han, S, Caspers, N, Knafels, J.D. | 登録日 | 2014-02-03 | 公開日 | 2014-05-07 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria. J.Med.Chem., 57, 2014
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4Y3B
| Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma | 分子名称: | (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-THR-[H][C@@]1(C(C2=CC=CC=C2)C3=CC=CC=C3)CCCN1C | 著者 | Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C. | 登録日 | 2015-02-10 | 公開日 | 2015-12-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 54, 2015
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4Y32
| Crystal structure of C-terminal modified Tau peptide-hybrid 109B with 14-3-3sigma | 分子名称: | (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-CNC(C(C)O)C(=O)N1CCCC1CCOC | 著者 | Bartel, M, Milroy, L, Bier, D, Brunsveld, L, Ottmann, C. | 登録日 | 2015-02-10 | 公開日 | 2015-12-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 54, 2015
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5TQE
| Factor VIIa in complex with the inhibitor (5R)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione | 分子名称: | (5R)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione, CALCIUM ION, Factor VIIa (Heavy Chain), ... | 著者 | Wei, A. | 登録日 | 2016-10-24 | 公開日 | 2017-02-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. ACS Med Chem Lett, 8, 2017
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5FB8
| Structure of Interleukin-16 bound to the 14.1 antibody | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-IL-16 antibody 14.1 Fab domain Heavy Chain, ... | 著者 | Hall, G, Cowan, R, Bayliss, R, Carr, M. | 登録日 | 2015-12-14 | 公開日 | 2016-06-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structure of a Potential Therapeutic Antibody Bound to Interleukin-16 (IL-16): MECHANISTIC INSIGHTS AND NEW THERAPEUTIC OPPORTUNITIES. J.Biol.Chem., 291, 2016
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1BUQ
| SOLUTION STRUCTURE OF DELTA-5-3-KETOSTEROID ISOMERASE COMPLEXED WITH THE STEROID 19-NORTESTOSTERONE-HEMISUCCINATE | 分子名称: | PROTEIN (3-KETOSTEROID ISOMERASE-19-NORTESTOSTERONE-HEMISUCCINATE), SUCCINIC ACID MONO-(13-METHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL) ESTER | 著者 | Massiah, M.A, Abeygunawardana, C, Gittis, A.G, Mildvan, A.S. | 登録日 | 1998-09-04 | 公開日 | 1999-01-20 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of Delta 5-3-ketosteroid isomerase complexed with the steroid 19-nortestosterone hemisuccinate. Biochemistry, 37, 1998
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7MFF
| Dimeric (BRAF)2:(14-3-3)2 complex bound to SB590885 Inhibitor | 分子名称: | (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf | 著者 | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | 登録日 | 2021-04-09 | 公開日 | 2022-01-26 | 最終更新日 | 2022-02-09 | 実験手法 | ELECTRON MICROSCOPY (3.89 Å) | 主引用文献 | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding. Nat Commun, 13, 2022
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1CQS
| CRYSTAL STRUCTURE OF D103E MUTANT WITH EQUILENINEOF KSI IN PSEUDOMONAS PUTIDA | 分子名称: | EQUILENIN, PROTEIN : KETOSTEROID ISOMERASE | 著者 | Choi, G, Ha, N.C, Kim, S.W, Kim, D.H, Park, S, Oh, B.H, Choi, K.Y. | 登録日 | 1999-08-11 | 公開日 | 2003-06-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Asp-99 donates a hydrogen bond not to Tyr-14 but to the steroid directly
in the catalytic mechanism of Delta 5-3-ketosteroid isomerase from
Pseudomonas putida biotype B Biochemistry, 39, 2000
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5TLD
| Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol | 分子名称: | (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2016-10-11 | 公開日 | 2017-01-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.375 Å) | 主引用文献 | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5U2B
| Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol, without a coactivator peptide | 分子名称: | (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor | 著者 | Nwachukwu, J.C, Nowak, J, Carlson, K.E, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2016-11-30 | 公開日 | 2017-04-26 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Structural and Molecular Mechanisms of Cytokine-Mediated Endocrine Resistance in Human Breast Cancer Cells. Mol. Cell, 65, 2017
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5Z62
| Structure of human cytochrome c oxidase | 分子名称: | 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, COPPER (II) ION, ... | 著者 | Gu, J, Zong, S, Wu, M, Yang, M. | 登録日 | 2018-01-22 | 公開日 | 2019-02-27 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structure of the intact 14-subunit human cytochrome c oxidase. Cell Res., 28, 2018
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7RBU
| SARS-CoV-2 Spike in complex with PVI.V6-14 Fab | 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, PVI.V6-14 Fab heavy chain, ... | 著者 | Altomare, C.G, Bajic, G. | 登録日 | 2021-07-06 | 公開日 | 2022-05-04 | 最終更新日 | 2022-07-06 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Structure of a Vaccine-Induced, Germline-Encoded Human Antibody Defines a Neutralizing Epitope on the SARS-CoV-2 Spike N-Terminal Domain. Mbio, 13, 2022
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4O46
| 14-3-3-gamma in complex with influenza NS1 C-terminal tail phosphorylated at S228 | 分子名称: | 14-3-3 protein gamma, Nonstructural protein 1, UNKNOWN ATOM OR ION, ... | 著者 | Qin, S, Liu, Y, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2013-12-18 | 公開日 | 2014-04-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1. Nat Commun, 5, 2014
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7RBV
| SARS-CoV-2 Spike in complex with PVI.V6-14 Fab | 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, PVI.V6-14 Fab heavy chain, ... | 著者 | Altomare, C.G, Bajic, G. | 登録日 | 2021-07-06 | 公開日 | 2022-05-04 | 最終更新日 | 2022-07-06 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structure of a Vaccine-Induced, Germline-Encoded Human Antibody Defines a Neutralizing Epitope on the SARS-CoV-2 Spike N-Terminal Domain. Mbio, 13, 2022
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2OPU
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7PIL
| Cryo-EM structure of the Rhodobacter sphaeroides RC-LH1-PufXY monomer complex at 2.5 A | 分子名称: | (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, BACTERIOCHLOROPHYLL A, ... | 著者 | Qian, P, Hunter, C.N. | 登録日 | 2021-08-20 | 公開日 | 2021-10-13 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Cryo-EM structure of the monomeric Rhodobacter sphaeroides RC-LH1 core complex at 2.5 angstrom. Biochem.J., 478, 2021
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5O6O
| 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor | 分子名称: | 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S. | 登録日 | 2017-06-07 | 公開日 | 2018-06-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors. Eur J Med Chem, 155, 2018
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