7QBR
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![BU of 7qbr by Molmil](/molmil-images/mine/7qbr) | Human butyrylcholinesterase in complex with (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, ... | Authors: | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | Deposit date: | 2021-11-19 | Release date: | 2022-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
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6TOT
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![BU of 6tot by Molmil](/molmil-images/mine/6tot) | Crystal structure of the Orexin-1 receptor in complex with lemborexant | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-11 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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7QBQ
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![BU of 7qbq by Molmil](/molmil-images/mine/7qbq) | Human butyrylcholinesterase in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide | Descriptor: | 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, 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, ... | Authors: | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | Deposit date: | 2021-11-19 | Release date: | 2022-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
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5CVS
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![BU of 5cvs by Molmil](/molmil-images/mine/5cvs) | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltoheptaose | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Rashid, A.M, Syson, K, Koliwer-Brandl, H, van de Weerd, R, Stevenson, C.E.M, Batey, S.F.D, Miah, F, Alber, M, Ioerger, T.R, Chandra, G, Appelmelk, B.J, Nartowski, K.P, Khimyak, Y.Z, Lawson, D.M, Jacobs, W.R, Geurtsen, J, Kalscheuer, R, Bornemann, S. | Deposit date: | 2015-07-27 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
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7BAX
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![BU of 7bax by Molmil](/molmil-images/mine/7bax) | Crystal structure of LYS11 ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LysM type receptor kinase | Authors: | Laursen, M, Cheng, J, Gysel, K, Blaise, M, Andersen, K.R. | Deposit date: | 2020-12-16 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Kinetic proofreading of lipochitooligosaccharides determines signal activation of symbiotic plant receptors. Proc.Natl.Acad.Sci.USA, 118, 2021
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5EKB
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![BU of 5ekb by Molmil](/molmil-images/mine/5ekb) | |
6TP3
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![BU of 6tp3 by Molmil](/molmil-images/mine/6tp3) | Crystal structure of the Orexin-1 receptor in complex with daridorexant | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Orexin receptor type 1, SULFATE ION, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-12 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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5V7Y
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![BU of 5v7y by Molmil](/molmil-images/mine/5v7y) | |
5ELS
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5V3O
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![BU of 5v3o by Molmil](/molmil-images/mine/5v3o) | Cereblon in complex with DDB1 and CC-220 | Descriptor: | (3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DNA damage-binding protein 1, Protein cereblon, ... | Authors: | Matyskiela, M, Pagarigan, B, Chamberlain, P. | Deposit date: | 2017-03-07 | Release date: | 2017-05-03 | Last modified: | 2018-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A Cereblon Modulator (CC-220) with Improved Degradation of Ikaros and Aiolos. J. Med. Chem., 61, 2018
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1HAK
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![BU of 1hak by Molmil](/molmil-images/mine/1hak) | CRYSTAL STRUCTURE OF RECOMBINANT HUMAN PLACENTAL ANNEXIN V COMPLEXED WITH K-201 AS A CALCIUM CHANNEL ACTIVITY INHIBITOR | Descriptor: | 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-BENZOTHIAZEPINE, ANNEXIN V | Authors: | Ago, H, Inagaki, E, Miyano, M. | Deposit date: | 1997-12-10 | Release date: | 1999-02-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of annexin V with its ligand K-201 as a calcium channel activity inhibitor. J.Mol.Biol., 274, 1997
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2RNR
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![BU of 2rnr by Molmil](/molmil-images/mine/2rnr) | |
5DCV
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![BU of 5dcv by Molmil](/molmil-images/mine/5dcv) | Crystal structure of PhoRpp38-SL12M complex | Descriptor: | 50S ribosomal protein L7Ae, RNA (47-MER) | Authors: | Oshima, K, Tanaka, Y, Yao, M. | Deposit date: | 2015-08-24 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.401 Å) | Cite: | Structural basis for recognition of a kink-turn motif by an archaeal homologue of human RNase P protein Rpp38 Biochem.Biophys.Res.Commun., 474, 2016
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2RQC
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![BU of 2rqc by Molmil](/molmil-images/mine/2rqc) | Solution Structure of RNA-binding domain 3 of CUGBP1 in complex with RNA (UG)3 | Descriptor: | 5'-R(*UP*GP*UP*GP*UP*G)-3', CUG-BP- and ETR-3-like factor 1 | Authors: | Tsuda, K, Kuwasako, K, Takahashi, M, Someya, T, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2009-04-09 | Release date: | 2009-08-04 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural basis for the sequence-specific RNA-recognition mechanism of human CUG-BP1 RRM3 Nucleic Acids Res., 37, 2009
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2RRB
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![BU of 2rrb by Molmil](/molmil-images/mine/2rrb) | Refinement of RNA binding domain in human Tra2 beta protein | Descriptor: | cDNA FLJ40872 fis, clone TUTER2000283, highly similar to Homo sapiens transformer-2-beta (SFRS10) gene | Authors: | Tsuda, K, Kuwasako, K, Takahashi, M, Someya, T, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Sugano, S, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2010-06-17 | Release date: | 2011-04-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for the dual RNA-recognition modes of human Tra2-beta RRM. Nucleic Acids Res., 39, 2011
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7JY5
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![BU of 7jy5 by Molmil](/molmil-images/mine/7jy5) | Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97) | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | Deposit date: | 2020-08-28 | Release date: | 2021-01-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative. Nat Commun, 12, 2021
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5UPV
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![BU of 5upv by Molmil](/molmil-images/mine/5upv) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis In the presence of G36 | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, INOSINIC ACID, ... | Authors: | Kim, Y, Maltseva, N, Mulligan, R, Makowska-Grzyska, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-04 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis In the presence of G36 To Be Published
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1XCC
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![BU of 1xcc by Molmil](/molmil-images/mine/1xcc) | 1-Cys peroxidoxin from Plasmodium Yoelli | Descriptor: | 1-Cys peroxiredoxin | Authors: | Vedadi, M, Sharma, S, Houston, S, Lew, J, Wasney, G, Amani, M, Xu, X, Bray, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Hui, R, Bochkarev, A, Structural Genomics Consortium (SGC) | Deposit date: | 2004-09-01 | Release date: | 2004-11-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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7QFJ
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![BU of 7qfj by Molmil](/molmil-images/mine/7qfj) | Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain II (aa 194-362) | Descriptor: | SlpX | Authors: | Sagmeister, T, Pavkov-Keller, T, Buhlheller, C, Baek, M, Read, R, Baker, D. | Deposit date: | 2021-12-06 | Release date: | 2022-12-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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6TUH
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![BU of 6tuh by Molmil](/molmil-images/mine/6tuh) | The PH domain of Bruton's tyrosine kinase mutant R28C | Descriptor: | 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid, MAGNESIUM ION, Tyrosine-protein kinase BTK, ... | Authors: | Brear, P, Wagstaff, J, Hyvonen, M. | Deposit date: | 2020-01-07 | Release date: | 2020-11-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C To Be Published
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2SXL
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![BU of 2sxl by Molmil](/molmil-images/mine/2sxl) | SEX-LETHAL RBD1, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | SEX-LETHAL PROTEIN | Authors: | Inoue, M, Muto, Y, Sakamoto, H, Kigawa, T, Takio, K, Shimura, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 1997-07-16 | Release date: | 1998-07-22 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A characteristic arrangement of aromatic amino acid residues in the solution structure of the amino-terminal RNA-binding domain of Drosophila sex-lethal. J.Mol.Biol., 272, 1997
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7QKB
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![BU of 7qkb by Molmil](/molmil-images/mine/7qkb) | Crystal structure of human Cathepsin L in complex with covalently bound GC376 | Descriptor: | CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7JP1
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8K1R
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![BU of 8k1r by Molmil](/molmil-images/mine/8k1r) | YeeE(TsuA)-YeeD(TsuB) complex for thiosulfate uptake | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Spirochaeta thermophila YeeE(TsuA)-YeeD(TsuB),UPF0033 domain-containing protein, SirA-like domain-containing protein (chimera) | Authors: | Ikei, M, Miyazaki, R, Monden, K, Naito, Y, Takeuchi, A, Takahashi, Y.S, Tanaka, Y, Ichikawa, M, Tsukazaki, T. | Deposit date: | 2023-07-11 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and function of YeeE-YeeD complex for sophisticated thiosulfate uptake To Be Published
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2RU3
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![BU of 2ru3 by Molmil](/molmil-images/mine/2ru3) | Solution structure of c.elegans SUP-12 RRM in complex with RNA | Descriptor: | Protein SUP-12, isoform a, RNA (5'-R(*GP*UP*GP*UP*GP*C)-3') | Authors: | Takahashi, M, Kuwasako, K, Unzai, S, Tsuda, K, Yoshikawa, S, He, F, Kobayashi, N, Guntert, P, Shirouzu, M, Ito, T, Tanaka, A, Yokoyama, S, Hagiwara, M, Kuroyanagi, H, Muto, Y. | Deposit date: | 2013-11-12 | Release date: | 2014-08-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | RBFOX and SUP-12 sandwich a G base to cooperatively regulate tissue-specific splicing Nat.Struct.Mol.Biol., 21, 2014
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