3A40
 
 | | Crystal structure of the human VDR ligand binding domain bound to the synthetic agonist compound 2alpha-methyl-AMCR277B(C23R) | | 分子名称: | (1S,2S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor | | 著者 | Sato, Y, Antony, P, Huet, T, Sigueiro, R, Rochel, N, Moras, D, Structural Proteomics in Europe 2 (SPINE-2) | | 登録日 | 2009-06-25 | | 公開日 | 2010-02-02 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structure-function relationships and crystal structures of the vitamin D receptor bound 2 alpha-methyl-(20S,23S)- and 2 alpha-methyl-(20S,23R)-epoxymethano-1 alpha,25-dihydroxyvitamin D3
J.Med.Chem., 53, 2010
|
|
3C1K
 | | Crystal structure of thrombin in complex with inhibitor 15 | | 分子名称: | 2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2H)-yl}-N-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1H-imidazol-5-yl}methyl)acetamide, Hirugen, Prothrombin | | 著者 | Yan, Y. | | 登録日 | 2008-01-23 | | 公開日 | 2008-03-18 | | 最終更新日 | 2013-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Structure-based design of novel groups for use in the P1 position of thrombin inhibitor scaffolds. Part 2: N-acetamidoimidazoles.
Bioorg.Med.Chem.Lett., 18, 2008
|
|
5ETW
 | | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | | 分子名称: | (1~{R})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Wu, S.Y, Peng, Y.H, Wu, J.S. | | 登録日 | 2015-11-18 | | 公開日 | 2016-02-10 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1.
J.Med.Chem., 59, 2016
|
|
5FHV
 | | Crystal structure of mCherry after reaction with 2-mercaptoethanol | | 分子名称: | BETA-MERCAPTOETHANOL, HEXAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | | 著者 | De Zitter, E, Dedecker, P, Van Meervelt, L. | | 登録日 | 2015-12-22 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Efficient switching of mCherry fluorescence using chemical caging.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5GUN
 | | Crystal structure of d(GTGGAATGGAAC) | | 分子名称: | COBALT (II) ION, DNA (5'-D(*GP*TP*GP*GP*AP*AP*TP*GP*GP*AP*AP*C)-3') | | 著者 | Satange, R.B, Kao, Y.F, Hou, M.H. | | 登録日 | 2016-08-29 | | 公開日 | 2017-08-30 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.588 Å) | | 主引用文献 | Parity-dependent hairpin configurations of repetitive DNA sequence promote slippage associated with DNA expansion
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5HVX
 | | Full length Wild-Type Open-form Sodium Channel NavMs | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECAETHYLENE GLYCOL, ... | | 著者 | Sula, A, Booker, J.E, Naylor, C.E, Wallace, B.A. | | 登録日 | 2016-01-28 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | The complete structure of an activated open sodium channel.
Nat Commun, 8, 2017
|
|
5HGN
 | |
5HX6
 | | Crystal structure of RIP1 kinase with a benzo[b][1,4]oxazepin-4-one | | 分子名称: | 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | 著者 | Campobasso, N, Ward, P. | | 登録日 | 2016-01-29 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors.
J.Med.Chem., 59, 2016
|
|
5EW5
 | |
5HVD
 | | Full length Open-form Sodium Channel NavMs I218C | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECAETHYLENE GLYCOL, HEGA-10, ... | | 著者 | Sula, A, Booker, J.E, Naylor, C.E, Wallace, B.A. | | 登録日 | 2016-01-28 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The complete structure of an activated open sodium channel.
Nat Commun, 8, 2017
|
|
6PLG
 | | Crystal structure of human PHGDH complexed with Compound 15 | | 分子名称: | (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE | | 著者 | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | | 登録日 | 2019-06-30 | | 公開日 | 2019-07-24 | | 最終更新日 | 2019-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
3TO4
 | | Structure of mouse Valpha14Vbeta2-mouseCD1d-alpha-Galactosylceramide | | 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, Antigen-presenting glycoprotein CD1d1, ... | | 著者 | Patel, O, Rossjohn, J. | | 登録日 | 2011-09-04 | | 公開日 | 2011-12-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Vbeta2 natural killer T cell antigen receptor-mediated recognition of CD1d-glycolipid antigen.
Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
3TI7
 | |
6PBH
 | |
6PAG
 | | Killer cell immunoglobulin-like receptor 2DL3 in complex with HLA-C*07:02 | | 分子名称: | ARG-TYR-ARG-PRO-GLY-THR-VAL-ALA-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | 著者 | Moradi, S, Rossjohn, J, Vivian, J.P. | | 登録日 | 2019-06-11 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Structural plasticity of KIR2DL2 and KIR2DL3 enables altered docking geometries atop HLA-C.
Nat Commun, 12, 2021
|
|
6PA1
 | | Killer cell immunoglobulin-like receptor 2DL2 in complex with HLA-C*07:02 | | 分子名称: | ARG-TYR-ARG-PRO-GLY-THR-VAL-ALA-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | 著者 | Moradi, S, Rossjohn, J, Vivian, J.P. | | 登録日 | 2019-06-11 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | Structural plasticity of KIR2DL2 and KIR2DL3 enables altered docking geometries atop HLA-C.
Nat Commun, 12, 2021
|
|
6PLF
 | | Crystal structure of human PHGDH complexed with Compound 1 | | 分子名称: | 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase | | 著者 | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | | 登録日 | 2019-06-30 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
3U2Z
 | | Activator-Bound Structure of Human Pyruvate Kinase M2 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one, Pyruvate kinase isozymes M1/M2, ... | | 著者 | Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Inglese, J, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2011-10-04 | | 公開日 | 2012-09-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
|
|
6QV9
 | |
3TI9
 | | Crystal structure of the basic protease BprB from the ovine footrot pathogen, Dichelobacter nodosus | | 分子名称: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Wong, W, Whisstock, J.C, Porter, C.J. | | 登録日 | 2011-08-20 | | 公開日 | 2011-10-19 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | S1 Pocket of a Bacterially Derived Subtilisin-like Protease Underpins Effective Tissue Destruction.
J.Biol.Chem., 286, 2011
|
|
6OSP
 | | Crystal Structure Analysis of PIP4K2A | | 分子名称: | 4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | 著者 | Seo, H.-S, Dhe-Paganon, S. | | 登録日 | 2019-05-01 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Targeting the PI5P4K Lipid Kinase Family in Cancer Using Covalent Inhibitors.
Cell Chem Biol, 27, 2020
|
|
6OBS
 | | PP1 Y134K | | 分子名称: | GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ... | | 著者 | Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R. | | 登録日 | 2019-03-21 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.803 Å) | | 主引用文献 | SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6OFR
 | |
6QV8
 | |
3VJ6
 | | Structure of the MHC class Ib molecule Qa-1b | | 分子名称: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-37 alpha chain, ... | | 著者 | Zeng, L, Clements, C.S, Rossjohn, J. | | 登録日 | 2011-10-12 | | 公開日 | 2012-03-14 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A structural basis for antigen presentation by the MHC class Ib molecule, Qa-1b
J.Immunol., 188, 2012
|
|
