3TKW
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![BU of 3tkw by Molmil](/molmil-images/mine/3tkw) | Crystal structure of HIV protease model precursor/Darunavir complex | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Agniswamy, J, Sayer, J, Weber, I, Louis, J. | Deposit date: | 2011-08-29 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease. Biochemistry, 51, 2012
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4O5L
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![BU of 4o5l by Molmil](/molmil-images/mine/4o5l) | Crystal structure of broadly neutralizing antibody F045-092 | Descriptor: | Fab F045-092 heavy chain, Fab F045-092 light chain, PHOSPHATE ION | Authors: | Lee, P.S, Wilson, I.A. | Deposit date: | 2013-12-19 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5045 Å) | Cite: | Receptor mimicry by antibody F045-092 facilitates universal binding to the H3 subtype of influenza virus. Nat Commun, 5, 2014
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1ZMN
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![BU of 1zmn by Molmil](/molmil-images/mine/1zmn) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenyl)guanidine | Descriptor: | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENYL)GUANIDINE, Coagulation factor XI, SULFATE ION | Authors: | Lazarova, T.I, Jin, L, Rynkiewicz, M.J, Gorga, J.C, Bibbins, F, Meyers, H.V, Babine, R.E, Strickler, J.E. | Deposit date: | 2005-05-10 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 16, 2006
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1P2B
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![BU of 1p2b by Molmil](/molmil-images/mine/1p2b) | Crystal Structure of Glycogen Phosphorylase B in Complex with Maltoheptaose | Descriptor: | Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Pinotsis, N, Leonidas, D.D, Chrysina, E.D, Oikonomakos, N.G, Mavridis, I.M. | Deposit date: | 2003-04-15 | Release date: | 2003-09-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The binding of beta- and gamma-cyclodextrins to glycogen phosphorylase b: Kinetic and crystallographic studies. Protein Sci., 12, 2003
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1ON4
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![BU of 1on4 by Molmil](/molmil-images/mine/1on4) | Solution structure of soluble domain of Sco1 from Bacillus Subtilis | Descriptor: | Sco1 | Authors: | Balatri, E, Banci, L, Bertini, I, Cantini, F, Ciofi-Baffoni, S, Structural Proteomics in Europe (SPINE) | Deposit date: | 2003-02-27 | Release date: | 2003-11-11 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of Sco1: A Thioredoxin-like Protein Involved in Cytochrome c Oxidase Assembly STRUCTURE, 11, 2003
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3UBJ
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![BU of 3ubj by Molmil](/molmil-images/mine/3ubj) | Influenza hemagglutinin from the 2009 pandemic in complex with ligand LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2011-10-24 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Characterization of the Hemagglutinin Receptor Specificity from the 2009 H1N1 Influenza Pandemic. J.Virol., 86, 2012
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1Z9P
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![BU of 1z9p by Molmil](/molmil-images/mine/1z9p) | |
3TPL
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![BU of 3tpl by Molmil](/molmil-images/mine/3tpl) | APO Structure of BACE1 | Descriptor: | Beta-secretase 1, CHLORIDE ION, SULFATE ION | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | Deposit date: | 2011-09-08 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68, 2012
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4ONF
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![BU of 4onf by Molmil](/molmil-images/mine/4onf) | Fab fragment of 3D6 in complex with amyloid beta 1-7 | Descriptor: | 3D6 FAB ANTIBODY HEAVY CHAIN, 3D6 FAB ANTIBODY LIGHT CHAIN, Amyloid beta A4 protein | Authors: | Feinberg, H, Saldanha, J.W, Diep, L, Goel, A, Widom, A, Veldman, G.M, Weis, W.I, Schenk, D, Basi, G.S. | Deposit date: | 2014-01-28 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure reveals conservation of amyloid-beta conformation recognized by 3D6 following humanization to bapineuzumab. Alzheimers Res Ther, 6, 2014
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3RRO
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![BU of 3rro by Molmil](/molmil-images/mine/3rro) | Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Vibrio cholerae | Descriptor: | 1,2-ETHANEDIOL, 3-ketoacyl-(acyl-carrier-protein) reductase, CHLORIDE ION, ... | Authors: | Hou, J, Chruszcz, M, Cooper, D.R, Grabowski, M, Zheng, H, Osinski, T, Shumilin, I, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-04-29 | Release date: | 2011-05-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae. J.Bacteriol., 198, 2015
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1QF9
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![BU of 1qf9 by Molmil](/molmil-images/mine/1qf9) | |
3L62
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![BU of 3l62 by Molmil](/molmil-images/mine/3l62) | Crystal structure of substrate-free P450cam at low [K+] | Descriptor: | Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lee, Y.-T, Wilson, R.F, Rupniewski, I, Goodin, D.B. | Deposit date: | 2009-12-22 | Release date: | 2010-04-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | P450cam visits an open conformation in the absence of substrate. Biochemistry, 49, 2010
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1PP1
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![BU of 1pp1 by Molmil](/molmil-images/mine/1pp1) | Crystal structure of the Borna Disease Virus Nucleoprotein | Descriptor: | p40 nucleoprotein | Authors: | Rudolph, M.G, Kraus, I, Dickmanns, A, Garten, W, Ficner, R. | Deposit date: | 2003-06-16 | Release date: | 2003-10-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the Borna Disease Virus nucleoprotein Structure, 11, 2003
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2A0Z
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![BU of 2a0z by Molmil](/molmil-images/mine/2a0z) | The molecular structure of toll-like receptor 3 ligand binding domain | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bell, J.K, Botos, I, Hall, P.R, Askins, J, Shiloach, J, Segal, D.M, Davies, D.R. | Deposit date: | 2005-06-17 | Release date: | 2005-08-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The molecular structure of the Toll-like receptor 3 ligand-binding domain Proc.Natl.Acad.Sci.USA, 102, 2005
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1PYW
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![BU of 1pyw by Molmil](/molmil-images/mine/1pyw) | Human class II MHC protein HLA-DR1 bound to a designed peptide related to influenza virus hemagglutinin, FVKQNA(MAA)AL, in complex with staphylococcal enterotoxin C3 variant 3B2 (SEC3-3B2) | Descriptor: | 9-residue influenza virus hemagglutinin related peptide FVKQNA(MAA)AL, Enterotoxin type C-3, HLA class II histocompatibility antigen, ... | Authors: | Zavala-Ruiz, Z, Sundberg, E.J, Stone, J.D, DeOliveira, D.B, Chan, I.C, Svendsen, J, Mariuzza, R.A, Stern, L.J. | Deposit date: | 2003-07-09 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exploration of the P6/P7 region of the peptide-binding site of the human class II Major Histocompatability Complex Protein HLA-DR1 J.Biol.Chem., 278, 2003
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1QRP
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![BU of 1qrp by Molmil](/molmil-images/mine/1qrp) | Human pepsin 3A in complex with a phosphonate inhibitor IVA-VAL-VAL-LEU(P)-(O)PHE-ALA-ALA-OME | Descriptor: | PEPSIN 3A, methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate | Authors: | Fujinaga, M, Cherney, M.M, Tarasova, N.I, Bartlett, P.A, Hanson, J.E, James, M.N.G. | Deposit date: | 1999-06-15 | Release date: | 1999-06-18 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural study of the complex between human pepsin and a phosphorus-containing peptidic -transition-state analog. Acta Crystallogr.,Sect.D, 56, 2000
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3UBN
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![BU of 3ubn by Molmil](/molmil-images/mine/3ubn) | Influenza hemagglutinin from the 2009 pandemic in complex with ligand 6SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2011-10-24 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5079 Å) | Cite: | Structural Characterization of the Hemagglutinin Receptor Specificity from the 2009 H1N1 Influenza Pandemic. J.Virol., 86, 2012
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3TJS
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![BU of 3tjs by Molmil](/molmil-images/mine/3tjs) | Crystal Structure of the complex between human cytochrome P450 3A4 and desthiazolylmethyloxycarbonyl ritonavir | Descriptor: | Cytochrome P450 3A4, N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F, Poulos, T.L. | Deposit date: | 2011-08-24 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Interaction of human cytochrome P4503A4 with ritonavir analogs. Arch.Biochem.Biophys., 520, 2012
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3TL9
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![BU of 3tl9 by Molmil](/molmil-images/mine/3tl9) | crystal structure of HIV protease model precursor/Saquinavir complex | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Agniswamy, J, Sayer, J, Weber, I, Louis, J. | Deposit date: | 2011-08-29 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease. Biochemistry, 51, 2012
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1QE0
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![BU of 1qe0 by Molmil](/molmil-images/mine/1qe0) | CRYSTAL STRUCTURE OF APO S. AUREUS HISTIDYL-TRNA SYNTHETASE | Descriptor: | Histidine--tRNA ligase | Authors: | Qiu, X, Janson, C.A, Blackburn, M.N, Chohan, I.K, Hibbs, M, Abdel-Meguid, S.S. | Deposit date: | 1999-07-12 | Release date: | 2000-07-12 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cooperative structural dynamics and a novel fidelity mechanism in histidyl-tRNA synthetases. Biochemistry, 38, 1999
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1QGB
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![BU of 1qgb by Molmil](/molmil-images/mine/1qgb) | SOLUTION STRUCTURE OF THE N-TERMINAL F1 MODULE PAIR FROM HUMAN FIBRONECTIN | Descriptor: | PROTEIN (FIBRONECTIN) | Authors: | Potts, J.R, Bright, J.R, Bolton, D, Pickford, A.R, Campbell, I.D. | Deposit date: | 1999-04-21 | Release date: | 1999-12-08 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the N-terminal F1 module pair from human fibronectin. Biochemistry, 38, 1999
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1QQ3
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![BU of 1qq3 by Molmil](/molmil-images/mine/1qq3) | THE SOLUTION STRUCTURE OF THE HEME BINDING VARIANT ARG98CYS OF OXIDIZED ESCHERICHIA COLI CYTOCHROME B562 | Descriptor: | CYTOCHROME B562, HEME B/C | Authors: | Arnesano, F, Banci, L, Bertini, I, Ciofi-Baffoni, S, Barker, P.D, Woodyear, T. | Deposit date: | 1999-06-10 | Release date: | 2000-05-24 | Last modified: | 2021-11-03 | Method: | SOLUTION NMR | Cite: | Structural consequences of b- to c-type heme conversion in oxidized Escherichia coli cytochrome b562. Biochemistry, 39, 2000
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1QZ6
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![BU of 1qz6 by Molmil](/molmil-images/mine/1qz6) | Structure of rabbit actin in complex with jaspisamide A | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Klenchin, V.A, Allingham, J.S, King, R, Tanaka, J, Marriott, G, Rayment, I. | Deposit date: | 2003-09-15 | Release date: | 2003-11-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Trisoxazole macrolide toxins mimic the binding of actin-capping proteins to actin Nat.Struct.Biol., 10, 2003
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1QKJ
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![BU of 1qkj by Molmil](/molmil-images/mine/1qkj) | T4 Phage B-Glucosyltransferase, Substrate Binding and Proposed Catalytic Mechanism | Descriptor: | BETA-GLUCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | Authors: | Morera, S, Imberty, I, Aschke-Sonnenborn, U, Ruger, W, Freemont, P.S. | Deposit date: | 1999-07-22 | Release date: | 1999-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | T4 Phage Beta-Glucosyltransferase: Substrate Binding and Proposed Catalytic Mechanism J.Mol.Biol., 292, 1999
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3QLP
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![BU of 3qlp by Molmil](/molmil-images/mine/3qlp) | X-ray structure of the complex between human alpha thrombin and a modified thrombin binding aptamer (mTBA) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, ... | Authors: | Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F. | Deposit date: | 2011-02-03 | Release date: | 2011-10-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Thrombin-aptamer recognition: a revealed ambiguity. Nucleic Acids Res., 39, 2011
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