1F8W
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5IPK
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![BU of 5ipk by Molmil](/molmil-images/mine/5ipk) | Structure of the R432A variant of Adeno-associated virus type 2 VLP | Descriptor: | Capsid protein VP1 | Authors: | Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M. | Deposit date: | 2016-03-09 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging. J.Virol., 90, 2016
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4LR6
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![BU of 4lr6 by Molmil](/molmil-images/mine/4lr6) | Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment | Descriptor: | 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID | Authors: | Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | Deposit date: | 2013-07-19 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett, 4, 2013
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1WRP
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![BU of 1wrp by Molmil](/molmil-images/mine/1wrp) | FLEXIBILITY OF THE DNA-BINDING DOMAINS OF TRP REPRESSOR | Descriptor: | TRP REPRESSOR, TRYPTOPHAN | Authors: | Schewitz, R.W, Otwinowski, Z, Lawson, C.L, Joachimiak, A, Sigler, P.B. | Deposit date: | 1987-12-01 | Release date: | 1988-04-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Flexibility of the DNA-binding domains of trp repressor. Proteins, 3, 1988
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5I1R
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![BU of 5i1r by Molmil](/molmil-images/mine/5i1r) | Quantitative characterization of configurational space sampled by HIV-1 nucleocapsid using solution NMR and X-ray scattering | Descriptor: | Nucleocapsid protein p7, ZINC ION | Authors: | Deshmukh, L, Schwieters, C.D, Grishaev, A, Clore, G.M. | Deposit date: | 2016-02-05 | Release date: | 2016-03-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | Quantitative Characterization of Configurational Space Sampled by HIV-1 Nucleocapsid Using Solution NMR, X-ray Scattering and Protein Engineering. Chemphyschem, 17, 2016
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6P0Q
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![BU of 6p0q by Molmil](/molmil-images/mine/6p0q) | Crystal Structure of Ubiquitin-like Domain of Human WDR12 | Descriptor: | 1,2-ETHANEDIOL, Ribosome biogenesis protein WDR12 | Authors: | Halabelian, L, Dong, A, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-17 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal Structure of Ubiquitin-like Domain of Human WDR12 to be published
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6PJL
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![BU of 6pjl by Molmil](/molmil-images/mine/6pjl) | HIV-1 Protease NL4-3 WT in Complex with LR3-95 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-06-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.993 Å) | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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1FG2
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![BU of 1fg2 by Molmil](/molmil-images/mine/1fg2) | CRYSTAL STRUCTURE OF THE LCMV PEPTIDIC EPITOPE GP33 IN COMPLEX WITH THE MURINE CLASS I MHC MOLECULE H-2DB | Descriptor: | BETA-2 MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, D-B ALPHA CHAIN, ... | Authors: | Tissot, A.C, Ciatto, C, Mittl, P.R.E, Gruetter, M.G, Plueckthun, A. | Deposit date: | 2000-07-27 | Release date: | 2000-10-04 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.754 Å) | Cite: | Viral escape at the molecular level explained by quantitative T-cell receptor/peptide/MHC interactions and the crystal structure of a peptide/MHC complex. J.Mol.Biol., 302, 2000
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6PK0
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![BU of 6pk0 by Molmil](/molmil-images/mine/6pk0) | Crystal Structure of OXA-48 with Hydrolyzed Imipenem | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2019-06-28 | Release date: | 2020-01-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase. Acs Infect Dis., 6, 2020
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4XUZ
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![BU of 4xuz by Molmil](/molmil-images/mine/4xuz) | Structure of CTX-M-15 bound to RPX-7009 at 1.5 A | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Clifton, M.C, Gardberg, A. | Deposit date: | 2015-01-26 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases. J.Med.Chem., 58, 2015
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6PKH
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2RU4
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![BU of 2ru4 by Molmil](/molmil-images/mine/2ru4) | Designed Armadillo Repeat Protein Self-ASsembled Complex (YIIM2-MAII) | Descriptor: | Armadillo Repeat Protein, C-terminal fragment, MAII, ... | Authors: | Zerbe, O, Christen, M.T, Plueckthun, A, Watson, R.P. | Deposit date: | 2013-11-22 | Release date: | 2014-07-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Spontaneous self-assembly of engineered armadillo repeat protein fragments into a folded structure Structure, 22, 2014
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6PLD
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![BU of 6pld by Molmil](/molmil-images/mine/6pld) | Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase Y249F variant with 6-OH-FAD - Green fraction | Descriptor: | 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, FAD-dependent catabolic D-arginine dehydrogenase DauA, ... | Authors: | Reis, R.A.G, Iyer, A, Agniswamy, J, Gannavaram, S, Weber, I, Gadda, G. | Deposit date: | 2019-06-30 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A Single-Point Mutation in d-Arginine Dehydrogenase Unlocks a Transient Conformational State Resulting in Altered Cofactor Reactivity. Biochemistry, 60, 2021
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1FNQ
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![BU of 1fnq by Molmil](/molmil-images/mine/1fnq) | CRYSTAL STRUCTURE ANALYSIS OF THE MUTANT REACTION CENTER PRO L209-> GLU FROM THE PHOTOSYNTHETIC PURPLE BACTERIUM RHODOBACTER SPHAEROIDES | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | Authors: | Kuglstatter, A, Ermler, U, Michel, H, Baciou, L, Fritzsch, G. | Deposit date: | 2000-08-23 | Release date: | 2001-04-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray structure analyses of photosynthetic reaction center variants from Rhodobacter sphaeroides: structural changes induced by point mutations at position L209 modulate electron and proton transfer. Biochemistry, 40, 2001
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1FN1
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![BU of 1fn1 by Molmil](/molmil-images/mine/1fn1) | CRYSTAL STRUCTURE OF 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE BOUND TO D(CG(5BR)UACG)2 | Descriptor: | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE, COBALT (II) ION, DNA (5'-D(*CP*GP*(BRO)UP*AP*CP*G)-3'), ... | Authors: | Adams, A, Guss, J.M, Collyer, C.A, Denny, W.A, Wakelin, L.P.G. | Deposit date: | 2000-08-19 | Release date: | 2000-10-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A novel form of intercalation involving four DNA duplexes in an acridine-4-carboxamide complex of d(CGTACG)(2). Nucleic Acids Res., 28, 2000
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5IZO
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1NVO
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![BU of 1nvo by Molmil](/molmil-images/mine/1nvo) | Solution structure of a four-helix bundle model, apo-DF1 | Descriptor: | Homodimeric Alpha2 Four-Helix Bundle | Authors: | Maglio, O, Nastri, F, Pavone, V, Lombardi, A, DeGrado, W.F. | Deposit date: | 2003-02-04 | Release date: | 2003-03-25 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Preorganization of molecular binding sites in designed diiron proteins Proc.Natl.Acad.Sci.USA, 100, 2003
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6EKE
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6ELS
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![BU of 6els by Molmil](/molmil-images/mine/6els) | Structure of latent apple tyrosinase (MdPPO1) | Descriptor: | COPPER (II) ION, OXYGEN ATOM, Polyphenol oxidase, ... | Authors: | Kampatsikas, I, Bijelic, A, Pretzler, M, Rompel, A. | Deposit date: | 2017-09-29 | Release date: | 2019-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.346 Å) | Cite: | A Peptide-Induced Self-Cleavage Reaction Initiates the Activation of Tyrosinase. Angew.Chem.Int.Ed.Engl., 58, 2019
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5J21
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6P3V
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![BU of 6p3v by Molmil](/molmil-images/mine/6p3v) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT416 | Descriptor: | DIMETHYL SULFOXIDE, N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine, N-acetyltransferase Eis, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2019-05-24 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis. Acs Infect Dis., 5, 2019
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5IU2
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![BU of 5iu2 by Molmil](/molmil-images/mine/5iu2) | Discovery of imidazoquinolines as a novel class of potent, selective and in vivo efficacious COT kinase inhibitors | Descriptor: | Mitogen-activated protein kinase kinase kinase 8, N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine | Authors: | Gutmann, S, Hinniger, A. | Deposit date: | 2016-03-17 | Release date: | 2016-08-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Imidazoquinolines as a Novel Class of Potent, Selective, and in Vivo Efficacious Cancer Osaka Thyroid (COT) Kinase Inhibitors. J.Med.Chem., 59, 2016
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6P4U
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![BU of 6p4u by Molmil](/molmil-images/mine/6p4u) | The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg and AMP | Descriptor: | ACETATE ION, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-05-28 | Release date: | 2019-06-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains. Curr Res Struct Biol, 2, 2020
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6P2L
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![BU of 6p2l by Molmil](/molmil-images/mine/6p2l) | Crystal structure of Niastella koreensis GH74 (NkGH74) enzyme | Descriptor: | CHLORIDE ION, Glycosyl hydrolase BNR repeat-containing protein, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Stogios, P.J, Skarina, T, Arnal, G, Brumer, H, Savchenko, A. | Deposit date: | 2019-05-21 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74. J.Biol.Chem., 294, 2019
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1FFE
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![BU of 1ffe by Molmil](/molmil-images/mine/1ffe) | |