4OTI
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![BU of 4oti by Molmil](/molmil-images/mine/4oti) | Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib | 分子名称: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Serine/threonine-protein kinase N1 | 著者 | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | 登録日 | 2014-02-13 | 公開日 | 2014-08-27 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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1MFI
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![BU of 1mfi by Molmil](/molmil-images/mine/1mfi) | CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR COMPLEXED WITH (E)-2-FLUORO-P-HYDROXYCINNAMATE | 分子名称: | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE, PROTEIN (MACROPHAGE MIGRATION INHIBITORY FACTOR) | 著者 | Taylor, A.B, Johnson Jr, W.H, Czerwinski, R.M, Whitman, C.P, Hackert, M.L. | 登録日 | 1998-08-12 | 公開日 | 1999-06-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of macrophage migration inhibitory factor complexed with (E)-2-fluoro-p-hydroxycinnamate at 1.8 A resolution: implications for enzymatic catalysis and inhibition. Biochemistry, 38, 1999
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5KAF
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![BU of 5kaf by Molmil](/molmil-images/mine/5kaf) | RT XFEL structure of Photosystem II in the dark state at 3.0 A resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | 登録日 | 2016-06-01 | 公開日 | 2016-11-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.00001 Å) | 主引用文献 | Structure of photosystem II and substrate binding at room temperature. Nature, 540, 2016
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7LK4
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4UT0
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![BU of 4ut0 by Molmil](/molmil-images/mine/4ut0) | THE CRYSTAL STRUCTURE OF I-DMOI IN COMPLEX WITH ITS TARGET DNA AT 10 DAYS INCUBATION IN 5MM MN (STATE 7) | 分子名称: | 5'-D(*CP*CP*GP*GP*CP*AP*AP*GP*GP*CP)-3', 5'-D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*CP)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', ... | 著者 | Molina, R, Stella, S, Redondo, P, Gomez, H, Marcaida, M.J, Orozco, M, Prieto, J, Montoya, G. | 登録日 | 2014-07-17 | 公開日 | 2014-12-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Visualizing Phosphodiester-Bond Hydrolysis by an Endonuclease. Nat.Struct.Mol.Biol., 22, 2015
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5VYS
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![BU of 5vys by Molmil](/molmil-images/mine/5vys) | Crystal structure of the WbkC N-formyltransferase (C47S variant) from Brucella melitensis | 分子名称: | 1,2-ETHANEDIOL, GUANOSINE, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M. | 登録日 | 2017-05-26 | 公開日 | 2017-07-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis. Biochemistry, 56, 2017
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6D9J
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![BU of 6d9j by Molmil](/molmil-images/mine/6d9j) | Mammalian 80S ribosome with a double translocated CrPV-IRES, P-sitetRNA and eRF1. | 分子名称: | 18S rRNA, 28S rRNA, 5.8S rRNA, ... | 著者 | Pisareva, V.P, Pisarev, A.V, Fernandez, I.S. | 登録日 | 2018-04-30 | 公開日 | 2018-06-06 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Dual tRNA mimicry in the Cricket Paralysis Virus IRES uncovers an unexpected similarity with the Hepatitis C Virus IRES. Elife, 7, 2018
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4FIM
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![BU of 4fim by Molmil](/molmil-images/mine/4fim) | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with celecoxib acid at 1.80 A Resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, C-terminal peptide from Lactotransferrin, ... | 著者 | Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2012-06-09 | 公開日 | 2012-06-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with celecoxib acid at 1.80 A Resolution To be Published
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5KAI
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![BU of 5kai by Molmil](/molmil-images/mine/5kai) | NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | 登録日 | 2016-06-01 | 公開日 | 2016-11-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.80000925 Å) | 主引用文献 | Structure of photosystem II and substrate binding at room temperature. Nature, 540, 2016
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5VKQ
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![BU of 5vkq by Molmil](/molmil-images/mine/5vkq) | Structure of a mechanotransduction ion channel Drosophila NOMPC in nanodisc | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, No mechanoreceptor potential C isoform L | 著者 | Jin, P, Bulkley, D, Guo, Y, Zhang, W, Guo, Z, Huynh, W, Wu, S, Meltzer, S, Chen, T, Jan, L.Y, Jan, Y.-N, Cheng, Y. | 登録日 | 2017-04-22 | 公開日 | 2017-06-28 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3.55 Å) | 主引用文献 | Electron cryo-microscopy structure of the mechanotransduction channel NOMPC. Nature, 547, 2017
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3USD
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![BU of 3usd by Molmil](/molmil-images/mine/3usd) | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Imidazol (1,2 a) pyridine3-yl-acitic acid at 2.4 A Resolution | 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, C-terminal peptide of Lactotransferrin, ... | 著者 | Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2011-11-23 | 公開日 | 2011-12-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Imidazol (1,2 a) pyridine3-yl-acitic acid at 2.4 A Resolution To be Published
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6Z7D
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![BU of 6z7d by Molmil](/molmil-images/mine/6z7d) | |
6Z79
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![BU of 6z79 by Molmil](/molmil-images/mine/6z79) | Variant Surface Glycoprotein VSGsur, I3C ("Magic Triangle") derivative used for phasing of the structure and subsequently as a model for molecular replacement of native, mutants, and drug soaks. | 分子名称: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | 登録日 | 2020-05-30 | 公開日 | 2021-03-17 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structure of trypanosome coat protein VSGsur and function in suramin resistance. Nat Microbiol, 6, 2021
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4OGI
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![BU of 4ogi by Molmil](/molmil-images/mine/4ogi) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor BI-2536 | 分子名称: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Jose, B, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2014-01-16 | 公開日 | 2014-02-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Dual kinase-bromodomain inhibitors for rationally designed polypharmacology. Nat.Chem.Biol., 10, 2014
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3HJW
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![BU of 3hjw by Molmil](/molmil-images/mine/3hjw) | Structure of a functional ribonucleoprotein pseudouridine synthase bound to a substrate RNA | 分子名称: | 5'-R(*GP*AP*GP*CP*GP*(FHU)P*GP*CP*GP*GP*UP*UP*U)-3', 50S ribosomal protein L7Ae, POTASSIUM ION, ... | 著者 | Liang, B, Zhou, J, Kahen, E, Terns, R.M, Terns, M.P, Li, H. | 登録日 | 2009-05-22 | 公開日 | 2009-06-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure of a functional ribonucleoprotein pseudouridine synthase bound to a substrate RNA Nat.Struct.Mol.Biol., 16, 2009
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4OCW
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![BU of 4ocw by Molmil](/molmil-images/mine/4ocw) | Crystal structure of human Fab CAP256-VRC26.06, a potent V1V2-directed HIV-1 neutralizing antibody | 分子名称: | CAP256-VRC26.06 heavy chain, CAP256-VRC26.06 light chain | 著者 | Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D. | 登録日 | 2014-01-09 | 公開日 | 2014-02-26 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (3.001 Å) | 主引用文献 | Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies. Nature, 509, 2014
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3V4A
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![BU of 3v4a by Molmil](/molmil-images/mine/3v4a) | Structure of ar lbd with activator peptide and sarm inhibitor 2 | 分子名称: | (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one, Androgen receptor, SULFATE ION | 著者 | Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P. | 登録日 | 2011-12-14 | 公開日 | 2012-09-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of diarylhydantoins as new selective androgen receptor modulators. J.Med.Chem., 55, 2012
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5DWF
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![BU of 5dwf by Molmil](/molmil-images/mine/5dwf) | Crystal structure of the complex of Peptidoglycan recognition protein, PGRP-S from camel with ethylene glycol at 1.83 A resolution | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, L(+)-TARTARIC ACID, ... | 著者 | Singh, P.K, Yadav, S.P, Sharma, P, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2015-09-22 | 公開日 | 2015-10-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Crystal structure of the complex of Peptidoglycan recognition protein, PGRP-S from camel with ethylene glycol at 1.83 A resolution To Be Published
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8T55
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![BU of 8t55 by Molmil](/molmil-images/mine/8t55) | Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | 分子名称: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | 著者 | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-12 | 公開日 | 2023-07-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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6ZAB
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![BU of 6zab by Molmil](/molmil-images/mine/6zab) | Structure of the transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum in complex a palindromic DNA (P6422 space group) | 分子名称: | 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | 著者 | Morera, S, Naretto, A, Vigouroux, A, Legrand, P. | 登録日 | 2020-06-05 | 公開日 | 2020-12-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum. Nucleic Acids Res., 49, 2021
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6Z1V
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![BU of 6z1v by Molmil](/molmil-images/mine/6z1v) | Structure of the EC2 domain of CD9 in complex with nanobody 4E8 | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, CD9 antigen, ... | 著者 | Oosterheert, W, Pearce, N.M, Gros, P. | 登録日 | 2020-05-14 | 公開日 | 2020-09-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F. Life Sci Alliance, 3, 2020
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6ZGF
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![BU of 6zgf by Molmil](/molmil-images/mine/6zgf) | Spike Protein of RaTG13 Bat Coronavirus in Closed Conformation | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wrobel, A.G, Benton, D.J, Rosenthal, P.B, Gamblin, S.J. | 登録日 | 2020-06-18 | 公開日 | 2020-07-01 | 最終更新日 | 2020-09-16 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | SARS-CoV-2 and bat RaTG13 spike glycoprotein structures inform on virus evolution and furin-cleavage effects. Nat.Struct.Mol.Biol., 27, 2020
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4NYV
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![BU of 4nyv by Molmil](/molmil-images/mine/4nyv) | Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand | 分子名称: | 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, CREB-binding protein | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, Martin, S, Monteiro, O.P, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2013-12-11 | 公開日 | 2014-01-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand TO BE PUBLISHED
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6Z8E
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![BU of 6z8e by Molmil](/molmil-images/mine/6z8e) | Human Picobirnavirus Ht-CP VLP | 分子名称: | Capsid protein precursor | 著者 | Ortega-Esteban, A, Mata, C.P, Rodriguez-Espinosa, M.J, Luque, D, Irigoyen, N, Rodriguez, J.M, de Pablo, P.J, Caston, J.R. | 登録日 | 2020-06-02 | 公開日 | 2020-09-23 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Cryo-electron Microscopy Structure, Assembly, and Mechanics Show Morphogenesis and Evolution of Human Picobirnavirus. J.Virol., 94, 2020
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3H1X
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![BU of 3h1x by Molmil](/molmil-images/mine/3h1x) | Simultaneous inhibition of anti-coagulation and inflammation: Crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand binding site | 分子名称: | INDOMETHACIN, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION | 著者 | Singh, N, Prem Kumar, R, Sharma, S, Kaur, P, Singh, T.P. | 登録日 | 2009-04-14 | 公開日 | 2009-06-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Simultaneous inhibition of anti-coagulation and inflammation: crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand-binding site J.Mol.Recognit., 22, 2009
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