4Z35
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![BU of 4z35 by Molmil](/molmil-images/mine/4z35) | Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-9910539 | 分子名称: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid, Lysophosphatidic acid receptor 1,Soluble cytochrome b562 | 著者 | Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR) | 登録日 | 2015-03-30 | 公開日 | 2015-06-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1. Cell, 161, 2015
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4Z1S
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![BU of 4z1s by Molmil](/molmil-images/mine/4z1s) | Crystal structure of the first bromodomain of human BRD4 with benzotriazolo-diazepine scaffold | 分子名称: | 5-[(4S)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine, Bromodomain-containing protein 4 | 著者 | Setser, J.W, Poy, F, Tang, Y, Bellon, S.F. | 登録日 | 2015-03-27 | 公開日 | 2015-04-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains. Acs Med.Chem.Lett., 7, 2016
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5KR7
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![BU of 5kr7 by Molmil](/molmil-images/mine/5kr7) | KDM4C bound to pyrazolo-pyrimidine scaffold | 分子名称: | 6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, CHLORIDE ION, FE (II) ION, ... | 著者 | Bellon, S.F, Poy, F, Setser, J.W. | 登録日 | 2016-07-07 | 公開日 | 2016-08-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification of potent, selective KDM5 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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4Z7U
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![BU of 4z7u by Molmil](/molmil-images/mine/4z7u) | S13 complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ... | 著者 | Petersen, J, Rossjohn, J, Reid, H.H, Koning, F. | 登録日 | 2015-04-08 | 公開日 | 2015-06-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Determinants of Gliadin-Specific T Cell Selection in Celiac Disease. J Immunol., 194, 2015
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5UVZ
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![BU of 5uvz by Molmil](/molmil-images/mine/5uvz) | BRD4 Bromodomain 2 with A-1354689 | 分子名称: | 3-methyl-5-(2-phenoxyphenyl)pyridin-2(1H)-one, Bromodomain-containing protein 4 | 著者 | Park, C.H. | 登録日 | 2017-02-20 | 公開日 | 2017-06-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | BRD4 Bromodomain 2 with A-1354689 To Be Published
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5KSZ
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![BU of 5ksz by Molmil](/molmil-images/mine/5ksz) | hMiro EF hand and cGTPase domains in the GMPPCP-bound state | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Mitochondrial Rho GTPase 1, ... | 著者 | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | 登録日 | 2016-07-10 | 公開日 | 2016-09-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates. Sci Rep, 6, 2016
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4ZCB
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![BU of 4zcb by Molmil](/molmil-images/mine/4zcb) | Human CRBPII mutant - Y60W dimer | 分子名称: | Retinol-binding protein 2 | 著者 | Nossoni, Z, Assar, Z, Wang, W, Geiger, J, Borhan, B. | 登録日 | 2015-04-15 | 公開日 | 2016-04-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates. Structure, 24, 2016
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5L2Q
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5KTY
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![BU of 5kty by Molmil](/molmil-images/mine/5kty) | hMiro EF hand and cGTPase domains, GDP and Ca2+ bound state | 分子名称: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | 登録日 | 2016-07-12 | 公開日 | 2016-09-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.522 Å) | 主引用文献 | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates. Sci Rep, 6, 2016
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1RK3
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![BU of 1rk3 by Molmil](/molmil-images/mine/1rk3) | crystal structure of the rat vitamin D receptor ligand binding domain complexed with 1,25-dihydroxyvitamin D3 and a synthetic peptide containing the NR2 box of DRIP 205 | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Peroxisome proliferator-activated receptor binding protein, Vitamin D3 receptor | 著者 | Vanhooke, J.L, M Benning, M, Bauer, C.B, Pike, J.W, DeLuca, H.F. | 登録日 | 2003-11-20 | 公開日 | 2004-04-13 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Molecular Structure of the Rat Vitamin D Receptor Ligand Binding Domain Complexed with 2-Carbon-Substituted Vitamin D(3) Hormone Analogues and a LXXLL-Containing Coactivator Peptide Biochemistry, 43, 2004
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5UMO
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4Z7W
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![BU of 4z7w by Molmil](/molmil-images/mine/4z7w) | T316 complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQ8-glia-alpha1, MHC class II HLA-DQ-alpha chain, ... | 著者 | Petersen, J, Rossjohn, J, Reid, H.H, Koning, F. | 登録日 | 2015-04-08 | 公開日 | 2015-06-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Determinants of Gliadin-Specific T Cell Selection in Celiac Disease. J Immunol., 194, 2015
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5L7K
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5KYN
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![BU of 5kyn by Molmil](/molmil-images/mine/5kyn) | Structure of Sec23 and TANGO1 complex | 分子名称: | Melanoma inhibitory activity protein 3, Protein transport protein Sec23A, ZINC ION | 著者 | Ma, W, Goldberg, J. | 登録日 | 2016-07-21 | 公開日 | 2016-09-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.552 Å) | 主引用文献 | TANGO1/cTAGE5 receptor as a polyvalent template for assembly of large COPII coats. Proc.Natl.Acad.Sci.USA, 113, 2016
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1RW5
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5UQC
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![BU of 5uqc by Molmil](/molmil-images/mine/5uqc) | Crystal structure of mouse CRMP2 | 分子名称: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Dihydropyrimidinase-related protein 2 | 著者 | Khanna, M, Khanna, R, Perez-Miller, S, Francois-Moutal, L. | 登録日 | 2017-02-07 | 公開日 | 2017-03-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | A single structurally conserved SUMOylation site in CRMP2 controls NaV1.7 function. Channels (Austin), 11, 2017
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5V8O
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![BU of 5v8o by Molmil](/molmil-images/mine/5v8o) | Discovery of a high affinity inhibitor of cGAS | 分子名称: | 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION | 著者 | Hall, J. | 登録日 | 2017-03-22 | 公開日 | 2017-09-27 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay. PLoS ONE, 12, 2017
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5V9O
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![BU of 5v9o by Molmil](/molmil-images/mine/5v9o) | KRAS G12C inhibitor | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Westover, K, Lu, J. | 登録日 | 2017-03-23 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C. Cell Chem Biol, 24, 2017
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5LA7
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![BU of 5la7 by Molmil](/molmil-images/mine/5la7) | Crystal structure of human proheparanase, in complex with glucuronic acid configured aziridine probe JJB355 | 分子名称: | (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wu, L, Jin, Y, Davies, G.J. | 登録日 | 2016-06-13 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
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1RUU
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5UUU
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![BU of 5uuu by Molmil](/molmil-images/mine/5uuu) | Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide, Beta-adrenergic receptor kinase 1, ... | 著者 | Hoffman, I.D, Lawson, J.D. | 登録日 | 2017-02-17 | 公開日 | 2017-07-26 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure. J. Med. Chem., 60, 2017
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4Z2X
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5KJN
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![BU of 5kjn by Molmil](/molmil-images/mine/5kjn) | SMYD2 in complex with AZ506 | 分子名称: | (R,R)-2,3-BUTANEDIOL, 5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide, N-lysine methyltransferase SMYD2, ... | 著者 | Ferguson, A. | 登録日 | 2016-06-20 | 公開日 | 2016-12-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors. J. Med. Chem., 59, 2016
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5UYZ
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![BU of 5uyz by Molmil](/molmil-images/mine/5uyz) | Structure of Human T-complex protein 1 subunit epsilon (CCT5) mutant His147Arg | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, T-complex protein 1 subunit epsilon | 著者 | Pereira, J.H, McAndrew, R.P, Sergeeva, O.A, Ralston, C.Y, King, J.A, Adams, P.D. | 登録日 | 2017-02-24 | 公開日 | 2017-07-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | Structure of the human TRiC/CCT Subunit 5 associated with hereditary sensory neuropathy. Sci Rep, 7, 2017
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4Z4K
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