5DKS
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![BU of 5dks by Molmil](/molmil-images/mine/5dks) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 2-naphthylamino-substituted, ethyl, triaryl-ethylene derivative 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol | 分子名称: | 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | 登録日 | 2015-09-03 | 公開日 | 2016-05-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5JEG
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![BU of 5jeg by Molmil](/molmil-images/mine/5jeg) | Human carbonic anhydrase II (V121I) complexed with benzo[d]thiazole-2-sulfonamide | 分子名称: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | 登録日 | 2016-04-18 | 公開日 | 2017-01-11 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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6PWO
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![BU of 6pwo by Molmil](/molmil-images/mine/6pwo) | MscS DDM | 分子名称: | Small-conductance mechanosensitive channel | 著者 | Reddy, B.G, Perozo, E. | 登録日 | 2019-07-23 | 公開日 | 2020-01-08 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Molecular basis of force-from-lipids gating in the mechanosensitive channel MscS. Elife, 8, 2019
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2W6V
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![BU of 2w6v by Molmil](/molmil-images/mine/2w6v) | Structure of Human deoxy Hemoglobin A in complex with Xenon | 分子名称: | GLYCEROL, HEMOGLOBIN SUBUNIT ALPHA, HEMOGLOBIN SUBUNIT BETA, ... | 著者 | Miele, A.E, Draghi, F, Sciara, G, Johnson, K.A, Renzi, F, Vallone, B, Brunori, M, Savino, C. | 登録日 | 2008-12-19 | 公開日 | 2009-04-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Pattern of Cavities in Globins: The Case of Human Hemoglobin. Biopolymers, 91, 2009
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5JEP
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![BU of 5jep by Molmil](/molmil-images/mine/5jep) | Human carbonic anhydrase II (T199S) complexed with benzo[d]thiazole-2-sulfonamide | 分子名称: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | 登録日 | 2016-04-18 | 公開日 | 2017-01-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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5DLR
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![BU of 5dlr by Molmil](/molmil-images/mine/5dlr) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a triaryl-ethylene compound 4,4'-(2-phenylethene-1,1-diyl)diphenol | 分子名称: | 4,4'-(2-phenylethene-1,1-diyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | 登録日 | 2015-09-07 | 公開日 | 2016-05-04 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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1AZ5
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5IPN
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![BU of 5ipn by Molmil](/molmil-images/mine/5ipn) | SigmaS-transcription initiation complex with 4-nt nascent RNA | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | 著者 | Liu, B, Zuo, Y, Steitz, T.A. | 登録日 | 2016-03-09 | 公開日 | 2016-03-30 | 最終更新日 | 2016-06-22 | 実験手法 | X-RAY DIFFRACTION (4.61 Å) | 主引用文献 | Structures of E. coli sigma S-transcription initiation complexes provide new insights into polymerase mechanism. Proc.Natl.Acad.Sci.USA, 113, 2016
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6T30
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![BU of 6t30 by Molmil](/molmil-images/mine/6t30) | Streptavidin variants harbouring an artificial organocatalyst based cofactor | 分子名称: | 1,2-ETHANEDIOL, 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide, GLYCEROL, ... | 著者 | Lechner, H, Hocker, B. | 登録日 | 2019-10-10 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*. Chembiochem, 22, 2021
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7OT7
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6PTB
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![BU of 6ptb by Molmil](/molmil-images/mine/6ptb) | Crystal Structure of ILNAMIAKI peptide bound to HLA-A2 | 分子名称: | Beta-2-microglobulin, GLYCEROL, HAUS augmin-like complex subunit 3, ... | 著者 | Keller, G.L.J, Arbuiso, A, Baker, B.M. | 登録日 | 2019-07-15 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure Based Prediction of Neoantigen Immunogenicity. Front Immunol, 10, 2019
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6PU3
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![BU of 6pu3 by Molmil](/molmil-images/mine/6pu3) | ABC transporter-associated periplasmic binding protein DppA from Helicobacter pylori | 分子名称: | Heme-binding protein A, SER-THR-SER-ALA | 著者 | Rahman, M.M, Machuca, M.A, Khan, M.F, Barlow, C.K, Schittenhelm, R.B, Roujeinikova, A. | 登録日 | 2019-07-16 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Molecular Basis of Unexpected Specificity of ABC Transporter-Associated Substrate-Binding Protein DppA from Helicobacter pylori. J.Bacteriol., 201, 2019
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6BXL
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![BU of 6bxl by Molmil](/molmil-images/mine/6bxl) | Crystal structure of Pyrococcus horikoshii Dph2 with 4Fe-4S cluster and SAM | 分子名称: | 2-(3-amino-3-carboxypropyl)histidine synthase, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE | 著者 | Torelli, A.T, Fenwick, M.K, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E. | 登録日 | 2017-12-18 | 公開日 | 2018-04-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | 主引用文献 | Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis. Science, 359, 2018
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6T6O
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![BU of 6t6o by Molmil](/molmil-images/mine/6t6o) | Y201W mutant of the orange carotenoid protein from Synechocystis at pH 4.6 | 分子名称: | ASPARAGINE, CHLORIDE ION, GLYCEROL, ... | 著者 | Sluchanko, N.N, Gushchin, I, Botnarevskiy, V.S, Slonimskiy, Y.B, Remeeva, A, Kovalev, K, Stepanov, A.V, Gordeliy, V, Maksimov, E.G. | 登録日 | 2019-10-18 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein. Commun Biol, 4, 2021
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1AYV
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![BU of 1ayv by Molmil](/molmil-images/mine/1ayv) | CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT THIAZOLHYDRAZIDE INHIBITOR | 分子名称: | CATHEPSIN K, N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE | 著者 | Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. | 登録日 | 1997-11-10 | 公開日 | 1998-11-25 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design of potent and selective human cathepsin K inhibitors that span the active site. Proc.Natl.Acad.Sci.USA, 94, 1997
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5FCB
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![BU of 5fcb by Molmil](/molmil-images/mine/5fcb) | Murine SMPDL3A in complex with AMP | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, Acid sphingomyelinase-like phosphodiesterase 3a, ... | 著者 | Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B. | 登録日 | 2015-12-15 | 公開日 | 2016-01-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A. J.Biol.Chem., 291, 2016
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6TJO
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![BU of 6tjo by Molmil](/molmil-images/mine/6tjo) | Cryo-EM structure of TypeI tau filaments extracted from the brains of individuals with Corticobasal degeneration | 分子名称: | Microtubule-associated protein tau | 著者 | Zhang, W, Murzin, A.G, Falcon, B, Shi, Y, Goedert, M, Scheres, S.H.W. | 登録日 | 2019-11-26 | 公開日 | 2020-02-05 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Novel tau filament fold in corticobasal degeneration. Nature, 580, 2020
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8CQX
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![BU of 8cqx by Molmil](/molmil-images/mine/8cqx) | Ribokinase from T.sp mutant A92G | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribokinase | 著者 | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Kostromina, M.A, Zayats, E.A, Kuranova, I.P, Esipov, R.S. | 登録日 | 2023-03-07 | 公開日 | 2023-04-05 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Ribokinase from T.sp mutant A92G To Be Published
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7RM5
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![BU of 7rm5 by Molmil](/molmil-images/mine/7rm5) | MicroED structure of the human adenosine receptor at 2.8A | 分子名称: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, CHOLESTEROL, ... | 著者 | Martynowycz, M.W, Shiriaeva, A, Ge, X, Hattne, J, Nannenga, B.L, Cherezov, V, Gonen, T. | 登録日 | 2021-07-26 | 公開日 | 2021-09-08 | 最終更新日 | 2023-10-18 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.79 Å) | 主引用文献 | MicroED structure of the human adenosine receptor determined from a single nanocrystal in LCP. Proc.Natl.Acad.Sci.USA, 118, 2021
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6TMS
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![BU of 6tms by Molmil](/molmil-images/mine/6tms) | Crystal structure of a de novo designed hexameric helical-bundle protein | 分子名称: | SULFATE ION, a novel designed pore protein, affinity purification tag | 著者 | Xu, C, Pei, X.Y, Luisi, B.F, Baker, D. | 登録日 | 2019-12-05 | 公開日 | 2020-04-29 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Computational design of transmembrane pores. Nature, 585, 2020
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6G70
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![BU of 6g70 by Molmil](/molmil-images/mine/6g70) | Structure of murine Prpf39 | 分子名称: | Pre-mRNA-processing factor 39 | 著者 | De Bortoli, F.D, Loll, B, Wahl, M, Heyd, F. | 登録日 | 2018-04-04 | 公開日 | 2019-04-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Increased versatility despite reduced molecular complexity: evolution, structure and function of metazoan splicing factor PRPF39. Nucleic Acids Res., 47, 2019
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6TN9
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![BU of 6tn9 by Molmil](/molmil-images/mine/6tn9) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 16 | 分子名称: | Dual specificity protein kinase TTK, [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone | 著者 | Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | 登録日 | 2019-12-06 | 公開日 | 2020-05-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6TND
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![BU of 6tnd by Molmil](/molmil-images/mine/6tnd) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 79 | 分子名称: | BAY 1217389, Dual specificity protein kinase TTK | 著者 | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | 登録日 | 2019-12-06 | 公開日 | 2020-05-13 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6PSB
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![BU of 6psb by Molmil](/molmil-images/mine/6psb) | Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 18 (5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one) | 分子名称: | 5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one, Bromodomain-containing protein 4 | 著者 | Ilyichova, O.V, Scanlon, M.J. | 登録日 | 2019-07-12 | 公開日 | 2019-11-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition. Bioorg.Med.Chem., 27, 2019
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7AAB
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![BU of 7aab by Molmil](/molmil-images/mine/7aab) | Crystal structure of the catalytic domain of human PARP1 in complex with inhibitor EB-47 | 分子名称: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D. | 登録日 | 2020-09-04 | 公開日 | 2021-01-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition. Nucleic Acids Res., 49, 2021
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