3QXW
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![BU of 3qxw by Molmil](/molmil-images/mine/3qxw) | Free structure of an anti-methotrexate CDR1-4 Graft VHH Antibody | Descriptor: | Anti-Methotrexate CDR1-4 Graft VHH, SODIUM ION, SULFATE ION | Authors: | Fanning, S.W, Horn, J.R. | Deposit date: | 2011-03-02 | Release date: | 2011-07-27 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop. Protein Sci., 20, 2011
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1IUE
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1J8G
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![BU of 1j8g by Molmil](/molmil-images/mine/1j8g) | X-ray Analysis of a RNA Tetraplex r(uggggu)4 at Ultra-High Resolution | Descriptor: | 5'-R(*UP*GP*GP*GP*GP*U)-3', CALCIUM ION, SODIUM ION, ... | Authors: | Deng, J, Xiong, Y, Sundaralingam, M. | Deposit date: | 2001-05-21 | Release date: | 2001-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.61 Å) | Cite: | X-ray analysis of an RNA tetraplex (UGGGGU)(4) with divalent Sr(2+) ions at subatomic resolution (0.61 A). Proc.Natl.Acad.Sci.USA, 98, 2001
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3R4T
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3R57
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![BU of 3r57 by Molmil](/molmil-images/mine/3r57) | Human Cyclophilin D Complexed with a Fragment | Descriptor: | GLYCEROL, N-(3-aminophenyl)acetamide, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-03-18 | Release date: | 2012-03-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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3RC9
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3RNX
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![BU of 3rnx by Molmil](/molmil-images/mine/3rnx) | |
3RU7
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3RWG
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![BU of 3rwg by Molmil](/molmil-images/mine/3rwg) | Rhesus macaque MHC class I molecule Mamu-B*17-MW9 | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wu, Y, Gao, F, Liu, J, Qi, J.X, Price, D.A, Gao, G.F. | Deposit date: | 2011-05-09 | Release date: | 2012-03-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of diverse peptide accommodation by the rhesus macaque MHC class I molecule Mamu-B*17: insights into immune protection from simian immunodeficiency virus J.Immunol., 187, 2011
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3PKG
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![BU of 3pkg by Molmil](/molmil-images/mine/3pkg) | Urate oxidase under 2 MPa / 20 bars pressure of xenon | Descriptor: | 8-AZAXANTHINE, SODIUM ION, Uricase, ... | Authors: | Marassio, G, Colloc'h, N, Prange, T, Abraini, J.H. | Deposit date: | 2010-11-11 | Release date: | 2011-04-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Pressure-response analysis of anesthetic gases xenon and nitrous oxide on urate oxidase: a crystallographic study. Faseb J., 25, 2011
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3PYX
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![BU of 3pyx by Molmil](/molmil-images/mine/3pyx) | Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase complex with NADP and 2-aminoterephthalate | Descriptor: | 1,2-ETHANEDIOL, 2-aminobenzene-1,4-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ... | Authors: | Pavlovsky, A.G, Viola, R.E. | Deposit date: | 2010-12-13 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family. Chem.Biol.Drug Des., 79, 2012
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3Q2I
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![BU of 3q2i by Molmil](/molmil-images/mine/3q2i) | Crystal structure of the WlbA dehydrognase from Chromobactrium violaceum in complex with NADH and UDP-GlcNAcA at 1.50 A resolution | Descriptor: | (2S,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, ... | Authors: | Holden, H.M, Thoden, J.B. | Deposit date: | 2010-12-20 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Biochemical and Structural Characterization of WlbA from Bordetella pertussis and Chromobacterium violaceum: Enzymes Required for the Biosynthesis of 2,3-Diacetamido-2,3-dideoxy-d-mannuronic Acid. Biochemistry, 50, 2011
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1IKP
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![BU of 1ikp by Molmil](/molmil-images/mine/1ikp) | Pseudomonas Aeruginosa Exotoxin A, P201Q, W281A mutant | Descriptor: | CHLORIDE ION, EXOTOXIN A, SODIUM ION | Authors: | McKay, D.B, Wedekind, J.E, Trame, C.B. | Deposit date: | 2001-05-04 | Release date: | 2001-12-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Refined Crystallographic Structure of Pseudomonas aeruginosa Exotoxin A
and its Implications for the Molecular Mechanism of Toxicity J.Mol.Biol., 314, 2001
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3PPY
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![BU of 3ppy by Molmil](/molmil-images/mine/3ppy) | Crystal structure of the D1596A/N1602A double mutant of an engineered VWF A2 domain (N1493C and C1670S) | Descriptor: | SODIUM ION, von Willebrand factor | Authors: | Zhou, M, Dong, X, Zhong, C, Ding, J. | Deposit date: | 2010-11-25 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13 Blood, 117, 2011
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3PYM
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![BU of 3pym by Molmil](/molmil-images/mine/3pym) | Structure of GAPDH 3 from S.cerevisiae at 2.0 A resolution | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase 3, MESO-ERYTHRITOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Garcia-Saez, I, Kozielski, F, Job, D, Boscheron, C. | Deposit date: | 2010-12-13 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: |
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3Q2G
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![BU of 3q2g by Molmil](/molmil-images/mine/3q2g) | Adamts1 in complex with a novel N-hydroxyformamide inhibitors | Descriptor: | A disintegrin and metalloproteinase with thrombospondin motifs 1, CADMIUM ION, MAGNESIUM ION, ... | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2010-12-20 | Release date: | 2011-03-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis Bioorg.Med.Chem.Lett., 21, 2011
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3QVS
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![BU of 3qvs by Molmil](/molmil-images/mine/3qvs) | L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus wild type | Descriptor: | GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Neelon, K, Roberts, M.F, Stec, B. | Deposit date: | 2011-02-25 | Release date: | 2012-01-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS. Biophys.J., 101, 2011
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1IKQ
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![BU of 1ikq by Molmil](/molmil-images/mine/1ikq) | Pseudomonas Aeruginosa Exotoxin A, wild type | Descriptor: | CHLORIDE ION, EXOTOXIN A, SODIUM ION | Authors: | McKay, D.B, Wedekind, J.E, Trame, C.B. | Deposit date: | 2001-05-04 | Release date: | 2001-12-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Refined Crystallographic Structure of Pseudomonas aeruginosa Exotoxin A
and its Implications for the Molecular Mechanism of Toxicity J.Mol.Biol., 314, 2001
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3QVI
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![BU of 3qvi by Molmil](/molmil-images/mine/3qvi) | Crystal structure of KNI-10395 bound histo-aspartic protease (HAP) from Plasmodium falciparum | Descriptor: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | Authors: | Bhaumik, P, Gustchina, A, Wlodawer, A. | Deposit date: | 2011-02-25 | Release date: | 2011-10-12 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into the activation and inhibition of histo-aspartic protease from Plasmodium falciparum. Biochemistry, 50, 2011
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3QSR
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3S45
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![BU of 3s45 by Molmil](/molmil-images/mine/3s45) | wild-type HIV-2 protease with antiviral drug amprenavir | Descriptor: | CHLORIDE ION, IMIDAZOLE, Protease, ... | Authors: | Tie, Y.-F, Wang, Y.-F, Weber, I.T. | Deposit date: | 2011-05-18 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors. Protein Sci., 21, 2012
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3S18
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3SLZ
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![BU of 3slz by Molmil](/molmil-images/mine/3slz) | The crystal structure of XMRV protease complexed with TL-3 | Descriptor: | FORMIC ACID, SODIUM ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, ... | Authors: | Li, M, Gustchina, A, Wlodawer, A. | Deposit date: | 2011-06-27 | Release date: | 2011-10-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and biochemical characterization of the inhibitor complexes of xenotropic murine leukemia virus-related virus protease. Febs J., 278, 2011
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3SUJ
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![BU of 3suj by Molmil](/molmil-images/mine/3suj) | Crystal structure of cerato-platanin 1 from M. perniciosa (MpCP1) | Descriptor: | ACETATE ION, CHLORIDE ION, Cerato-platanin 1, ... | Authors: | Oliveira, J.F, Barsottini, M.R.O, Zaparoli, G, Machado, L.O, Dias, S.M.G, Pereira, G.A.G, Ambrosio, A.L.B. | Deposit date: | 2011-07-11 | Release date: | 2012-07-11 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Functional diversification of cerato-platanins in Moniliophthora perniciosa as seen by differential expression and protein function specialization. Mol. Plant Microbe Interact., 26, 2013
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1JRZ
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![BU of 1jrz by Molmil](/molmil-images/mine/1jrz) | Crystal structure of Arg402Tyr mutant flavocytochrome c3 from Shewanella frigidimarina | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C, FUMARIC ACID, ... | Authors: | Mowat, C.G, Moysey, R, Miles, C.S, Leys, D, Doherty, M.K, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | Deposit date: | 2001-08-15 | Release date: | 2001-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic and crystallographic analysis of the key active site acid/base arginine in a soluble fumarate reductase. Biochemistry, 40, 2001
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