8ERD
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![BU of 8erd by Molmil](/molmil-images/mine/8erd) | Cyclin-free CDK2 in complex with Cpd17 | Descriptor: | (2-{[1-(methanesulfonyl)piperidin-4-yl]amino}quinazolin-7-yl)[(2S)-2-methylpyrrolidin-1-yl]methanone, Cyclin-dependent kinase 2 | Authors: | Murray, J.M, Oh, A. | Deposit date: | 2022-10-11 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Cyclin-free CDK2 in complex with Cpd17 To Be Published
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2DPC
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![BU of 2dpc by Molmil](/molmil-images/mine/2dpc) | Crystal Structure of d(CGCGAATXCGCG) Where X is 5-(N-aminohexyl)carbamoyl-2'-O-methyluridine | Descriptor: | (6-AMINOHEXYL)CARBAMIC ACID, COBALT (II) ION, DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*(OMU)P*DCP*DGP*DCP*DG)-3'), ... | Authors: | Juan, E.C.M, Kondo, J, Kurihara, T, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | Deposit date: | 2006-05-08 | Release date: | 2007-04-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structures of DNA:DNA and DNA:RNA duplexes containing 5-(N-aminohexyl)carbamoyl-modified uracils reveal the basis for properties as antigene and antisense molecules Nucleic Acids Res., 35, 2007
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6RFF
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![BU of 6rff by Molmil](/molmil-images/mine/6rff) | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 7 | Descriptor: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | Authors: | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | Deposit date: | 2019-04-14 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
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6RSV
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![BU of 6rsv by Molmil](/molmil-images/mine/6rsv) | Endothiapepsin in complex with 017 | Descriptor: | 1~{H}-1,2,3,4-tetrazol-5-ylmethyldiazane, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Magari, F, Heine, A, Klebe, G. | Deposit date: | 2019-05-22 | Release date: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Endothiapepsin in complex with 017 To Be Published
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2DP7
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![BU of 2dp7 by Molmil](/molmil-images/mine/2dp7) | Crystal Structure of D(CGCGAATXCGCG) Where X is 5-(N-aminohexyl)carbamoyl-2'-deoxyuridine | Descriptor: | (6-AMINOHEXYL)CARBAMIC ACID, DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*DUP*DCP*DGP*DCP*DG)-3'), MAGNESIUM ION, ... | Authors: | Juan, E.C.M, Kondo, J, Kurihara, T, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | Deposit date: | 2006-05-08 | Release date: | 2007-04-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structures of DNA:DNA and DNA:RNA duplexes containing 5-(N-aminohexyl)carbamoyl-modified uracils reveal the basis for properties as antigene and antisense molecules Nucleic Acids Res., 35, 2007
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6S5Z
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![BU of 6s5z by Molmil](/molmil-images/mine/6s5z) | Structure of Rib R28N from Streptococcus pyogenes | Descriptor: | SODIUM ION, Surface protein R28 | Authors: | Whelan, F, Griffiths, S.C, Whittingham, J.L, Bateman, A, Potts, J.R. | Deposit date: | 2019-07-02 | Release date: | 2019-12-11 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection. Proc.Natl.Acad.Sci.USA, 116, 2019
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3ICT
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![BU of 3ict by Molmil](/molmil-images/mine/3ict) | Crystal structure of reduced Bacillus anthracis CoADR-RHD | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, COENZYME A, Coenzyme A-Disulfide Reductase, ... | Authors: | Wallen, J.R, Claiborne, A. | Deposit date: | 2009-07-18 | Release date: | 2009-11-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure and catalytic properties of Bacillus anthracis CoADR-RHD: implications for flavin-linked sulfur trafficking. Biochemistry, 48, 2009
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4HST
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![BU of 4hst by Molmil](/molmil-images/mine/4hst) | Crystal structure of a double mutant of a class III engineered cephalosporin acylase | Descriptor: | 5,5-dihydroxy-L-norvaline, glutaryl-7-aminocephalosporanic acid acylase alpha chain, glutaryl-7-aminocephalosporanic acid acylase beta chain | Authors: | Vrielink, A, Golden, E, Patterson, R, Tie, W.J, Anandan, A, Flematti, G, Molla, G, Rosini, E, Pollegioni, L. | Deposit date: | 2012-10-30 | Release date: | 2013-02-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.571 Å) | Cite: | Structure of a class III engineered cephalosporin acylase: comparisons with class I acylase and implications for differences in substrate specificity and catalytic activity. Biochem.J., 451, 2013
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1WWD
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![BU of 1wwd by Molmil](/molmil-images/mine/1wwd) | NMR structure determined for MLV NC complex with RNA sequence AACAGU | Descriptor: | 5'-R(P*AP*AP*CP*AP*GP*U)-3', Nucleoprotein p10, ZINC ION | Authors: | Dey, A, York, D, Smalls-Mantey, A, Summers, M.F. | Deposit date: | 2005-01-05 | Release date: | 2005-03-22 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Composition and sequence-dependent binding of RNA to the nucleocapsid protein of Moloney murine leukemia virus(,) Biochemistry, 44, 2005
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1TBZ
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![BU of 1tbz by Molmil](/molmil-images/mine/1tbz) | HUMAN THROMBIN WITH ACTIVE SITE N-METHYL-D PHENYLALANYL-N-[5-(AMINOIMINOMETHYL)AMINO]-1-{{BENZOTHIAZOLYL)CARBONYL] BUTYL]-L-PROLINAMIDE TRIFLUROACETATE AND EXOSITE-HIRUGEN | Descriptor: | ALPHA-THROMBIN, D-phenylalanyl-N-{(1S)-1-[(S)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-L-prolinamide, HIRUGEN, ... | Authors: | Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A. | Deposit date: | 1998-02-05 | Release date: | 1998-05-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site. Biophys.J., 71, 1996
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2MZA
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![BU of 2mza by Molmil](/molmil-images/mine/2mza) | |
1WZM
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![BU of 1wzm by Molmil](/molmil-images/mine/1wzm) | Thermoactinomyces vulgaris R-47 alpha-amylase II (TVA II) mutatnt R469K | Descriptor: | Alpha-amylase II, CALCIUM ION | Authors: | Mizuno, M, Ichikawa, K, Tonozuka, T, Ohtaki, A, Shimura, Y, Kamitori, S, Nishikawa, A, Sakano, Y. | Deposit date: | 2005-03-06 | Release date: | 2005-03-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Mutagenesis and Structural Analysis of Thermoactinomyces vulgaris R-47 alpha-Amylase II (TVA II) To be Published
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8EY4
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![BU of 8ey4 by Molmil](/molmil-images/mine/8ey4) | Contact-dependent growth inhibition toxin-immunity protein complex from E. coli O32:H37 | Descriptor: | Cys_rich_CPCC domain-containing protein, FE (III) ION, PT-VENN domain-containing protein | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Hayes, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-10-26 | Release date: | 2023-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Contact-dependent growth inhibition toxin-immunity protein complex from E. coli O32:H37 To Be Published
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2DQP
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![BU of 2dqp by Molmil](/molmil-images/mine/2dqp) | Structural analyses of DNA:DNA and RNA:DNA duplexes containing 5-(N-aminohexyl)carbamoyl modified uridines | Descriptor: | (6-AMINOHEXYL)CARBAMIC ACID, DNA (5'-D(*DCP*(OMU)P*DCP*DTP*(OMU)P*DCP*DTP*DTP*DC)-3'), RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3') | Authors: | Juan, E.C.M, Kondo, J, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | Deposit date: | 2006-05-29 | Release date: | 2007-04-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of DNA:DNA and DNA:RNA duplexes containing 5-(N-aminohexyl)carbamoyl-modified uracils reveal the basis for properties as antigene and antisense molecules Nucleic Acids Res., 35, 2007
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8EY3
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![BU of 8ey3 by Molmil](/molmil-images/mine/8ey3) | Contact-dependent growth inhibition (CDI) immunity protein from E. coli O32:H37 | Descriptor: | Cys_rich_CPCC domain-containing protein, FE (III) ION, SODIUM ION | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Hayes, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-10-26 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Contact-dependent growth inhibition (CDI) immunity protein from E. coli O32:H37 To Be Published
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8F7H
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![BU of 8f7h by Molmil](/molmil-images/mine/8f7h) | The condensation domain of surfactin A synthetase C variant 18b in space group P212121 | Descriptor: | GLYCEROL, Surfactin synthetase | Authors: | Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M. | Deposit date: | 2022-11-18 | Release date: | 2023-11-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | High-throughput reprogramming of an NRPS condensation domain. Nat.Chem.Biol., 20, 2024
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2N1F
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![BU of 2n1f by Molmil](/molmil-images/mine/2n1f) | Structure and assembly of the mouse ASC filament by combined NMR spectroscopy and cryo-electron microscopy | Descriptor: | Apoptosis-associated speck-like protein | Authors: | Sborgi, L, Ravotti, F, Dandey, V, Dick, M, Mazur, A, Reckel, S, Chami, M, Scherer, S, Bockmann, A, Egelman, E, Stahlberg, H, Broz, P, Meier, B, Hiller, S. | Deposit date: | 2015-04-01 | Release date: | 2015-10-14 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4 Å), SOLID-STATE NMR | Cite: | Structure and assembly of the mouse ASC inflammasome by combined NMR spectroscopy and cryo-electron microscopy. Proc.Natl.Acad.Sci.USA, 112, 2015
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8F7I
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![BU of 8f7i by Molmil](/molmil-images/mine/8f7i) | The condensation domain of surfactin A synthetase C variant 18b in space group P43212 | Descriptor: | GLYCEROL, Surfactin synthetase | Authors: | Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M. | Deposit date: | 2022-11-18 | Release date: | 2023-11-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | High-throughput reprogramming of an NRPS condensation domain. Nat.Chem.Biol., 20, 2024
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8F7G
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![BU of 8f7g by Molmil](/molmil-images/mine/8f7g) | The condensation domain of surfactin A synthetase C in space group P212121 | Descriptor: | GLYCEROL, Surfactin synthetase | Authors: | Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M. | Deposit date: | 2022-11-18 | Release date: | 2023-11-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-throughput reprogramming of an NRPS condensation domain. Nat.Chem.Biol., 20, 2024
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8F7F
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![BU of 8f7f by Molmil](/molmil-images/mine/8f7f) | The condensation domain of surfactin A synthetase C in space group P43212 | Descriptor: | GLYCEROL, Surfactin synthetase | Authors: | Frota, N, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M. | Deposit date: | 2022-11-18 | Release date: | 2023-11-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | High-throughput reprogramming of an NRPS condensation domain. Nat.Chem.Biol., 20, 2024
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1TOZ
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![BU of 1toz by Molmil](/molmil-images/mine/1toz) | NMR structure of the human NOTCH-1 ligand binding region | Descriptor: | Neurogenic locus notch homolog protein 1 | Authors: | Hambleton, S, Valeyev, N.Y, Muranyi, A, Knott, V, Werner, J.M, Mcmichael, A.J, Handford, P.A, Downing, A.K. | Deposit date: | 2004-06-15 | Release date: | 2004-10-12 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Structural and functional properties of the human notch-1 ligand binding region STRUCTURE, 12, 2004
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2DPB
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![BU of 2dpb by Molmil](/molmil-images/mine/2dpb) | Crystal Structure of d(CGCGAATXCGCG) Where X is 5-(N-aminohexyl)carbamoyl-2'-deoxyuridine | Descriptor: | (6-AMINOHEXYL)CARBAMIC ACID, DNA (5'-D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*DUP*DCP*DGP*DCP*DG)-3'), POTASSIUM ION | Authors: | Juan, E.C.M, Kondo, J, Kurihara, T, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | Deposit date: | 2006-05-08 | Release date: | 2007-04-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of DNA:DNA and DNA:RNA duplexes containing 5-(N-aminohexyl)carbamoyl-modified uracils reveal the basis for properties as antigene and antisense molecules Nucleic Acids Res., 35, 2007
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2DQO
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![BU of 2dqo by Molmil](/molmil-images/mine/2dqo) | Crystal Structure of d(CXCTXCTTC):r(gaagaagag) Where X is 5-(N-aminohexyl)carbamoyl-2'-O-methyluridine | Descriptor: | (6-AMINOHEXYL)CARBAMIC ACID, BARIUM ION, DNA (5'-D(*DCP*(OMU)P*DCP*DTP*(OMU)P*DCP*DTP*DTP*DC)-3'), ... | Authors: | Juan, E.C.M, Kondo, J, Ito, T, Ueno, Y, Matsuda, A, Takenaka, A. | Deposit date: | 2006-05-29 | Release date: | 2007-04-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of DNA:DNA and DNA:RNA duplexes containing 5-(N-aminohexyl)carbamoyl-modified uracils reveal the basis for properties as antigene and antisense molecules Nucleic Acids Res., 35, 2007
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3VPT
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![BU of 3vpt by Molmil](/molmil-images/mine/3vpt) | Crystal structure of Bombyx mori sigma-class glutathione transferase in apo form | Descriptor: | DI(HYDROXYETHYL)ETHER, Glutathione S-transferase sigma, S-1,2-PROPANEDIOL, ... | Authors: | Yamamoto, K, Higashiura, A, Suzuki, M, Nakagawa, A. | Deposit date: | 2012-03-13 | Release date: | 2013-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a Bombyx mori sigma-class glutathione transferase exhibiting prostaglandin E synthase activity Biochim.Biophys.Acta, 1830, 2013
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6RW0
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![BU of 6rw0 by Molmil](/molmil-images/mine/6rw0) | Crystal structure of ANGEL2, a 2',3'-cyclic phosphatase | Descriptor: | GLYCEROL, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Kroupova, A, Jinek, M. | Deposit date: | 2019-06-03 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | ANGEL2 is a member of the CCR4 family of deadenylases with 2',3'-cyclic phosphatase activity. Science, 369, 2020
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