8GTG
 
 | | Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-I-152 by XFEL | | 分子名称: | 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N},~{N}-bis(2-methoxyethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine, Endolysin, Isoform CRF-R2 of Corticotropin-releasing factor receptor 1 | | 著者 | Cho, H.S, Kim, H. | | 登録日 | 2022-09-08 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser.
Exp.Mol.Med., 55, 2023
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8GTI
 | | Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C205 by XFEL | | 分子名称: | 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine, Endolysin, Isoform CRF-R2 of Corticotropin-releasing factor receptor 1, ... | | 著者 | Cho, H.S, Kim, H. | | 登録日 | 2022-09-08 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser.
Exp.Mol.Med., 55, 2023
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8GTM
 | | Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C203 by XFEL | | 分子名称: | 7-(4-bromanyl-2,6-dimethoxy-phenyl)-4,8-dimethyl-~{N},~{N}-bis[4,4,4-tris(fluoranyl)butyl]-1$l^{4},3,5,9-tetrazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-2-amine, Endolysin, Isoform CRF-R2 of Corticotropin-releasing factor receptor 1 | | 著者 | Cho, H.S, Kim, H. | | 登録日 | 2022-09-08 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser.
Exp.Mol.Med., 55, 2023
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7R40
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4OWI
 | | peptide structure | | 分子名称: | p53LZ2 | | 著者 | Lee, J.-H. | | 登録日 | 2014-02-02 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.202 Å) | | 主引用文献 | Protein grafting of p53TAD onto a leucine zipper scaffold generates a potent HDM dual inhibitor.
Nat Commun, 5, 2014
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8IVU
 | | Crystal Structure of Human NAMPT in complex with A4276 | | 分子名称: | N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | 著者 | Kang, B.G, Cha, S.S. | | 登録日 | 2023-03-28 | | 公開日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.09000921 Å) | | 主引用文献 | Discovery of a novel NAMPT inhibitor that selectively targets NAPRT-deficient EMT-subtype cancer cells and alleviates chemotherapy-induced peripheral neuropathy.
Theranostics, 13, 2023
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5YSO
 | | Crystal structure of Estrogen Related Receptor-3 (ERR-gamma) ligand binding domain with DN200434 | | 分子名称: | 4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol, Estrogen-related receptor gamma | | 著者 | Cho, S.J, Chin, J.W, Yoon, H.S, Jeon, Y.H, Bae, J.H, Song, J.Y. | | 登録日 | 2017-11-14 | | 公開日 | 2018-12-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | A Novel Orally Active Inverse Agonist of Estrogen-related Receptor Gamma (ERR gamma ), DN200434, A Booster of NIS in Anaplastic Thyroid Cancer.
Clin.Cancer Res., 25, 2019
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6LZP
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5GHV
 | | Crystal structure of an inhibitor-bound Syk | | 分子名称: | 1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1H-pyrrol-3-yl}methyl)azetidin-3-ol, Tyrosine-protein kinase SYK | | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | | 登録日 | 2016-06-20 | | 公開日 | 2016-07-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
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7M72
 | | MHC-like protein complex structure | | 分子名称: | (3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | | 著者 | Thirunavukkarasu, P, Le Nours, J, Rossjohn, J. | | 登録日 | 2021-03-26 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Host immunomodulatory lipids created by symbionts from dietary amino acids.
Nature, 600, 2021
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8TRD
 | | mGluR3 class 1 in the presence of the antagonist LY 341495 | | 分子名称: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, Metabotropic glutamate receptor 3 | | 著者 | Strauss, A, Levitz, J. | | 登録日 | 2023-08-09 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural basis of positive allosteric modulation of metabotropic glutamate receptor activation and internalization.
Nat Commun, 15, 2024
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8TRC
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8TR2
 | | mGluR3 in the presence of the agonist LY379268 | | 分子名称: | (1S,4R,5R,6S)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid, CALCIUM ION, Metabotropic glutamate receptor 3 | | 著者 | Strauss, A, Levitz, J. | | 登録日 | 2023-08-09 | | 公開日 | 2024-07-31 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structural basis of allosteric modulation of metabotropic glutamate receptor activation and desensitization.
Biorxiv, 2023
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8TQB
 | | mGluR3 in the presence of the agonist LY379268 and PAM VU6023326 | | 分子名称: | (1R,4R,5S,6R)-4-azanyl-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid, CALCIUM ION, Metabotropic glutamate receptor 3 | | 著者 | Strauss, A, Levitz, J. | | 登録日 | 2023-08-06 | | 公開日 | 2024-07-31 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural basis of allosteric modulation of metabotropic glutamate receptor activation and desensitization.
Biorxiv, 2023
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8TR0
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8T3X
 | | TNA polymerase, closed ternary | | 分子名称: | 10-92, TNA polymerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Maola, V, Chaput, J, Chim, N. | | 登録日 | 2023-06-07 | | 公開日 | 2024-08-28 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Directed Evolution of a Highly Efficient TNA Polymerase Achieved by Homologous Recombination
To Be Published
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5H5M
 | | Crystal structure of HMP-1 M domain | | 分子名称: | Alpha-catenin-like protein hmp-1 | | 著者 | Kang, H, Bang, I, Weis, W.I, Choi, H.J. | | 登録日 | 2016-11-08 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural and functional characterization of Caenorhabditis elegans alpha-catenin reveals constitutive binding to beta-catenin and F-actin
J. Biol. Chem., 292, 2017
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7C2S
 | | Helical reconstruction of Dengue virus serotype 3 complexed with Fab C10 | | 分子名称: | Heavy chain of Fab C10, envelope protein, light chain of Fab C10 | | 著者 | Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M. | | 登録日 | 2020-05-09 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (10.4 Å) | | 主引用文献 | High flavivirus structural plasticity demonstrated by a non-spherical morphological variant.
Nat Commun, 11, 2020
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7C2T
 | | Helical reconstruction of Zika virus complexed with Fab C10 | | 分子名称: | Heavy chain from Fab C10, Light chain from Fab C10, M protein, ... | | 著者 | Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M. | | 登録日 | 2020-05-09 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (9.4 Å) | | 主引用文献 | High flavivirus structural plasticity demonstrated by a non-spherical morphological variant.
Nat Commun, 11, 2020
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8T2D
 | | Ubiquitin variant i53:Mutant T12Y.T14E.L67R with 53BP1 Tudor domain | | 分子名称: | Tumor protein p53 binding protein 1, Ubiquitin variant i53 | | 著者 | Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A. | | 登録日 | 2023-06-05 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.751 Å) | | 主引用文献 | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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3ZKO
 | | The structure of ''breathing'' dengue virus. | | 分子名称: | ENVELOPE GLYCOPROTEIN | | 著者 | Fibriansah, G, Ng, T.S, Kostyuchenko, V.A, Lee, S, Wang, J, Lok, S.M. | | 登録日 | 2013-01-24 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (13.7 Å) | | 主引用文献 | Structural Changes of Dengue Virus When Exposed to 37 Degrees C.
J.Virol., 87, 2013
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2QBS
 | | Crystal structure of ptp1b-inhibitor complex | | 分子名称: | 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Xu, W. | | 登録日 | 2007-06-18 | | 公開日 | 2008-03-18 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
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4Y7I
 | | Crystal Structure of MTMR8 | | 分子名称: | Myotubularin-related protein 8, PHOSPHATE ION | | 著者 | Yoo, K, Lee, J, Son, J, Shin, W, Im, D, Heo, Y.S. | | 登録日 | 2015-02-15 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.802 Å) | | 主引用文献 | Structure of the catalytic phosphatase domain of MTMR8: implications for dimerization, membrane association and reversible oxidation.
Acta Crystallogr.,Sect.D, 71, 2015
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8JOZ
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7RFR
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Gajiwala, K.S, Ferre, R.A, Liu, W, Stewart, A.E. | | 登録日 | 2021-07-14 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.626 Å) | | 主引用文献 | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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