4LWF
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![BU of 4lwf by Molmil](/molmil-images/mine/4lwf) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3 | Descriptor: | 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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4M5C
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![BU of 4m5c by Molmil](/molmil-images/mine/4m5c) | Crystal Structure of an Truncated Transition metal Transporter | Descriptor: | COBALT (II) ION, Cobalamin biosynthesis protein CbiM, HEXANE-1,6-DIOL | Authors: | Yu, Y, Zhou, M.Z, Gu, J.K. | Deposit date: | 2013-08-08 | Release date: | 2014-03-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Planar substrate-binding site dictates the specificity of ECF-type nickel/cobalt transporters Cell Res., 24, 2014
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5T0Q
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![BU of 5t0q by Molmil](/molmil-images/mine/5t0q) | Crystal structure of the Myc3 N-terminal domain [44-242] in complex with JAZ10 Jas domain [166-192] from arabidopsis | Descriptor: | Protein TIFY 9, Transcription factor MYC3 | Authors: | Ke, J, Zhang, F, Brunzelle, J.S, He, S.Y, Xu, H.E, Melcher, K. | Deposit date: | 2016-08-16 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural insights into alternative splicing-mediated desensitization of jasmonate signaling. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5T0F
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![BU of 5t0f by Molmil](/molmil-images/mine/5t0f) | Crystal structure of the Myc3 N-terminal domain [44-242] in complex with JAZ10 CMID domain [16-58] from arabidopsis | Descriptor: | Protein TIFY 9, Transcription factor MYC3 | Authors: | Ke, J, Zhang, F, Brunzelle, J.S, He, S.Y, Xu, H.E, Melcher, K. | Deposit date: | 2016-08-16 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into alternative splicing-mediated desensitization of jasmonate signaling. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4L0K
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6TCL
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![BU of 6tcl by Molmil](/molmil-images/mine/6tcl) | Photosystem I tetramer | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Chen, M, Perez-Boerema, A, Li, S, Amunts, A. | Deposit date: | 2019-11-06 | Release date: | 2020-02-19 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Distinct structural modulation of photosystem I and lipid environment stabilizes its tetrameric assembly. Nat.Plants, 6, 2020
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4DHF
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![BU of 4dhf by Molmil](/molmil-images/mine/4dhf) | Structure of Aurora A mutant bound to Biogenidec cpd 15 | Descriptor: | 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Aurora kinase A, MAGNESIUM ION, ... | Authors: | Silvian, L, Marcotte, D.J. | Deposit date: | 2012-01-27 | Release date: | 2012-07-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4LWH
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![BU of 4lwh by Molmil](/molmil-images/mine/4lwh) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5 | Descriptor: | Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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8IH4
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![BU of 8ih4 by Molmil](/molmil-images/mine/8ih4) | Crystal Structure of Intracellular B30.2 Domain of BTN2A2 Mutant | Descriptor: | Butyrophilin subfamily 2 member A2 | Authors: | Yang, Y.Y, Yi, S.M, Zhang, M.T, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2023-02-22 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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6BSE
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![BU of 6bse by Molmil](/molmil-images/mine/6bse) | Glucocorticoid receptor bound to high cooperativity monomer sequence | Descriptor: | DNA (5'-D(P*AP*CP*CP*AP*CP*GP*TP*GP*TP*AP*CP*TP*TP*TP*TP*T)-3'), DNA (5'-D(P*TP*AP*AP*AP*AP*AP*GP*TP*AP*CP*AP*CP*GP*TP*GP*G)-3'), Glucocorticoid receptor, ... | Authors: | Pufall, M.A. | Deposit date: | 2017-12-02 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | General and sequence-specific roles for DNA in glucocorticoid receptor DNA-binding stoichiometry To Be Published
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6BK8
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![BU of 6bk8 by Molmil](/molmil-images/mine/6bk8) | S. cerevisiae spliceosomal post-catalytic P complex | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Lea1, ... | Authors: | Liu, S, Li, X, Zhou, Z.H, Zhao, R. | Deposit date: | 2017-11-07 | Release date: | 2018-02-21 | Last modified: | 2020-10-14 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of the yeast spliceosomal postcatalytic P complex. Science, 358, 2017
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6CAO
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6BJ5
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![BU of 6bj5 by Molmil](/molmil-images/mine/6bj5) | Structure of the Clinically used Myxomaviral Serine Protease Inhibitor 1 (SERP-1) | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mahon, B.P, Lomelino, C.L, McKenna, R. | Deposit date: | 2017-11-05 | Release date: | 2018-11-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Clinically used Myxomaviral Serine Protease Inhibitor 1 (SERP-1) To Be Published
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4M5B
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![BU of 4m5b by Molmil](/molmil-images/mine/4m5b) | Crystal Structure of an Truncated Transition Metal Transporter | Descriptor: | Cobalamin biosynthesis protein CbiM, HEXANE-1,6-DIOL, NICKEL (II) ION | Authors: | Yu, Y. | Deposit date: | 2013-08-08 | Release date: | 2014-03-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.833 Å) | Cite: | Planar substrate-binding site dictates the specificity of ECF-type nickel/cobalt transporters Cell Res., 24, 2014
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4LWE
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![BU of 4lwe by Molmil](/molmil-images/mine/4lwe) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2 | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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4LWI
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![BU of 4lwi by Molmil](/molmil-images/mine/4lwi) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6 | Descriptor: | Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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4NG2
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8IGT
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![BU of 8igt by Molmil](/molmil-images/mine/8igt) | Crystal Structure of Intracellular B30.2 Domain of BTN2A1 | Descriptor: | Butyrophilin subfamily 2 member A1, ZINC ION | Authors: | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2023-02-21 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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7X08
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![BU of 7x08 by Molmil](/molmil-images/mine/7x08) | S protein of SARS-CoV-2 in complex with 2G1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | Authors: | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | Deposit date: | 2022-02-21 | Release date: | 2022-03-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD. Cell Discov, 8, 2022
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3U3Q
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![BU of 3u3q by Molmil](/molmil-images/mine/3u3q) | The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6) | Descriptor: | Tumor necrosis factor receptor superfamily member 21 | Authors: | Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J. | Deposit date: | 2011-10-06 | Release date: | 2012-05-02 | Last modified: | 2013-07-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS. Acta Crystallogr.,Sect.D, 68, 2012
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3U3S
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![BU of 3u3s by Molmil](/molmil-images/mine/3u3s) | The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6) | Descriptor: | Tumor necrosis factor receptor superfamily member 21 | Authors: | Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J. | Deposit date: | 2011-10-06 | Release date: | 2012-05-02 | Last modified: | 2013-07-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS. Acta Crystallogr.,Sect.D, 68, 2012
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3U3P
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![BU of 3u3p by Molmil](/molmil-images/mine/3u3p) | The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6) | Descriptor: | Tumor necrosis factor receptor superfamily member 21 | Authors: | Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J. | Deposit date: | 2011-10-06 | Release date: | 2012-05-02 | Last modified: | 2013-07-10 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS Acta Crystallogr.,Sect.D, 68, 2012
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8KHQ
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![BU of 8khq by Molmil](/molmil-images/mine/8khq) | Bifunctional sulfoxide synthase OvoA_Th2 in complex with histidine and cysteine | Descriptor: | 5-histidylcysteine sulfoxide synthase/putative 4-mercaptohistidine N1-methyltranferase, COBALT (II) ION, CYSTEINE, ... | Authors: | Wang, J, Ye, K, Wang, X.Y, Yan, W.P. | Deposit date: | 2023-08-22 | Release date: | 2023-12-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Biochemical and Structural Characterization of OvoA Th2 : A Mononuclear Nonheme Iron Enzyme from Hydrogenimonas thermophila for Ovothiol Biosynthesis. Acs Catalysis, 13, 2023
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7Z0P
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![BU of 7z0p by Molmil](/molmil-images/mine/7z0p) | SARS-COV2 Main Protease in complex with inhibitor MG-131 | Descriptor: | (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, SODIUM ION | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-02-23 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
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3ROQ
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![BU of 3roq by Molmil](/molmil-images/mine/3roq) | Crystal structure of human CD38 in complex with compound CZ-46 | Descriptor: | (2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate, ADP-ribosyl cyclase 1 | Authors: | Zhang, H, Lee, H.C, Hao, Q. | Deposit date: | 2011-04-26 | Release date: | 2011-12-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Catalysis-based inhibitors of the calcium signaling function of CD38. Biochemistry, 51, 2012
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