3JUO
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![BU of 3juo by Molmil](/molmil-images/mine/3juo) | Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with (R)-5-bromo-2-(piperidin-3-ylamino)benzoic acid | Descriptor: | 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, Phenazine biosynthesis protein A/B | Authors: | Mentel, M, Jain, I.H, Breinbauer, R, Blankenfeldt, W. | Deposit date: | 2009-09-15 | Release date: | 2009-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously Angew.Chem.Int.Ed.Engl., 48, 2009
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1AC9
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![BU of 1ac9 by Molmil](/molmil-images/mine/1ac9) | SOLUTION STRUCTURE OF A DNA DECAMER CONTAINING THE ANTIVIRAL DRUG GANCICLOVIR: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS, AND FULL RELAXATION REFINEMENT, 6 STRUCTURES | Descriptor: | DNA | Authors: | Foti, M, Marshalko, S, Schurter, E, Kumar, S, Beardsley, G.P, Schweitzer, B.I. | Deposit date: | 1997-02-17 | Release date: | 1997-07-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a DNA decamer containing the antiviral drug ganciclovir: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement. Biochemistry, 36, 1997
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7WCA
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![BU of 7wca by Molmil](/molmil-images/mine/7wca) | CATPO mutant - E484A | Descriptor: | CALCIUM ION, Catalase, PENTAETHYLENE GLYCOL, ... | Authors: | Yuzugullu Karakus, Y, Balci Unver, S, Zengin Karatas, M, Goc, G, Pearson, A.R, Yorke, B. | Deposit date: | 2021-12-18 | Release date: | 2022-12-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Investigation of how gate residues in the main channel affect the catalytic activity of Scytalidium thermophilum catalase. Acta Crystallogr D Struct Biol, 80, 2024
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5I8G
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![BU of 5i8g by Molmil](/molmil-images/mine/5i8g) | CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one) | Descriptor: | (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
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158D
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![BU of 158d by Molmil](/molmil-images/mine/158d) | CRYSTALLOGRAPHIC ANALYSIS OF C-C-A-A-G-C-T-T-G-G AND ITS IMPLICATIONS FOR BENDING IN B-DNA | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*GP*CP*TP*TP*GP*G)-3') | Authors: | Grzeskowiak, K, Goodsell, D.S, Kaczor-Grzeskowiak, M, Cascio, D, Dickerson, R.E. | Deposit date: | 1994-02-03 | Release date: | 1994-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic analysis of C-C-A-A-G-C-T-T-G-G and its implications for bending in B-DNA. Biochemistry, 32, 1993
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1RZ2
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![BU of 1rz2 by Molmil](/molmil-images/mine/1rz2) | 1.6A crystal structure of the protein BA4783/Q81L49 (similar to sortase B) from Bacillus anthracis. | Descriptor: | conserved hypothetical protein BA4783 | Authors: | Wu, R, Zhang, R, Gornicki, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-12-23 | Release date: | 2004-07-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of sortase B from Staphylococcus aureus and Bacillus anthracis reveal catalytic amino acid triad in the active site. Structure, 12, 2004
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1RZW
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![BU of 1rzw by Molmil](/molmil-images/mine/1rzw) | The Solution Structure of the Archaeglobus fulgidis protein AF2095. Northeast Structural Genomics Consortium target GR4 | Descriptor: | Protein AF2095(GR4) | Authors: | Powers, R, Acton, T.B, Huang, Y.J, Liu, J, Ma, L, Rost, B, Chiang, Y, Cort, J.R, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-12-29 | Release date: | 2004-11-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of Archaeglobus fulgidis peptidyl-tRNA hydrolase (Pth2) provides evidence for an extensive conserved family of Pth2 enzymes in archea, bacteria, and eukaryotes Protein Sci., 14, 2005
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3OGP
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![BU of 3ogp by Molmil](/molmil-images/mine/3ogp) | Crystal Structure of 6s-98S FIV Protease with Darunavir bound | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, DIMETHYL SULFOXIDE, FIV Protease | Authors: | Lin, Y.-C, Perryman, A.L, Elder, J.H, Stout, C.D. | Deposit date: | 2010-08-17 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for drug and substrate specificity exhibited by FIV encoding a chimeric FIV/HIV protease. Acta Crystallogr.,Sect.D, 67, 2011
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4R9L
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![BU of 4r9l by Molmil](/molmil-images/mine/4r9l) | Structure of a thermostable elevenfold mutant of limonene epoxide hydrolase from Rhodococcus erythropolis, containing two stabilizing disulfide bonds | Descriptor: | (2R)-2-hydroxyhexanamide, Limonene-1,2-epoxide hydrolase | Authors: | Floor, R.J, Wijma, H.J, Jekel, P.A, Terwisscha van Scheltinga, A.C, Dijkstra, B.W, Janssen, D.B. | Deposit date: | 2014-09-05 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallographic validation of structure predictions used in computational design for protein stabilization. Proteins, 83, 2015
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1SHW
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![BU of 1shw by Molmil](/molmil-images/mine/1shw) | EphB2 / EphrinA5 Complex Structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-B receptor 2, Ephrin-A5, ... | Authors: | Himanen, J.P, Chumley, M.J, Lackmann, M, Li, C, Barton, W.A, Jeffrey, P.D, Vearing, C, Geleick, D, Feldheim, D.A, Boyd, A.W. | Deposit date: | 2004-02-26 | Release date: | 2004-05-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Repelling class discrimination: ephrin-A5 binds to and activates EphB2 receptor signaling Nat.Neurosci., 7, 2004
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2Z65
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![BU of 2z65 by Molmil](/molmil-images/mine/2z65) | Crystal structure of the human TLR4 TV3 hybrid-MD-2-Eritoran complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE, Lymphocyte antigen 96, ... | Authors: | Lee, J.-O, Kim, H.M, Park, B.S. | Deposit date: | 2007-07-22 | Release date: | 2007-09-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of the TLR4-MD-2 Complex with Bound Endotoxin Antagonist Eritoran Cell(Cambridge,Mass.), 130, 2007
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3OKT
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![BU of 3okt by Molmil](/molmil-images/mine/3okt) | Mouse Plexin A2, extracellular domains 1-4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Janssen, B.J.C, Robinson, R.A, Bell, C.H, Siebold, C, Jones, E.Y. | Deposit date: | 2010-08-25 | Release date: | 2010-10-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.296 Å) | Cite: | Structural basis of semaphorin-plexin signalling. Nature, 467, 2010
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1SE4
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![BU of 1se4 by Molmil](/molmil-images/mine/1se4) | STAPHYLOCOCCAL ENTEROTOXIN B COMPLEXED WITH LACTOSE | Descriptor: | STAPHYLOCOCCAL ENTEROTOXIN B, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Swaminathan, S, Sax, M. | Deposit date: | 1997-04-16 | Release date: | 1997-10-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Residues defining V beta specificity in staphylococcal enterotoxins. Nat.Struct.Biol., 2, 1995
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6MTL
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![BU of 6mtl by Molmil](/molmil-images/mine/6mtl) | |
4FNF
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![BU of 4fnf by Molmil](/molmil-images/mine/4fnf) | LT-IIB-B5 S74D mutant | Descriptor: | ACETATE ION, Heat-labile enterotoxin IIB, B chain | Authors: | Cody, V. | Deposit date: | 2012-06-19 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-activity correlations of variant forms of the B pentamer of Escherichia coli type II heat-labile enterotoxin LT-IIb with Toll-like receptor 2 binding. Acta Crystallogr.,Sect.D, 68, 2012
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6MU0
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![BU of 6mu0 by Molmil](/molmil-images/mine/6mu0) | |
3J2V
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![BU of 3j2v by Molmil](/molmil-images/mine/3j2v) | CryoEM structure of HBV core | Descriptor: | PreC/core protein | Authors: | Yu, X, Jin, L, Jih, J, Shih, C, Zhou, Z.H. | Deposit date: | 2013-01-11 | Release date: | 2013-10-02 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | 3.5 angstrom cryoEM Structure of Hepatitis B Virus Core Assembled from Full-Length Core Protein. Plos One, 8, 2013
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3ZV3
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![BU of 3zv3 by Molmil](/molmil-images/mine/3zv3) | CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB)FROM PANDORAEA PNOMENUSA STRAIN B-356 IN INTERMEDIATE STATE OF SUBSTRATE BINDING LOOP | Descriptor: | CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE | Authors: | Dhindwal, S, Patil, D.N, Kumar, P. | Deposit date: | 2011-07-23 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme. J.Biol.Chem., 286, 2011
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1UNQ
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![BU of 1unq by Molmil](/molmil-images/mine/1unq) | High resolution crystal structure of the Pleckstrin Homology Domain Of Protein Kinase B/Akt Bound To Ins(1,3,4,5)-Tetrakisphophate | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-ALPHA SERINE/THREONINE KINASE | Authors: | Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2003-09-12 | Release date: | 2004-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change. Biochem. J., 375, 2003
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1CVX
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![BU of 1cvx by Molmil](/molmil-images/mine/1cvx) | CRYSTAL STRUCTURE OF POLYAMIDE DIMER (IMPYHPPYBETADP)2 BOUND TO B-DNA DECAMER CCAGATCTGG | Descriptor: | 5'-D(*CP*CP*AP*GP*AP*TP*CP*TP*GP*G)-3', HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE | Authors: | Kielkopf, C.L, Bremer, R.E, White, S, Baird, E.E, Dervan, P.B, Rees, D.C. | Deposit date: | 1999-08-24 | Release date: | 2000-01-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural effects of DNA sequence on T.A recognition by hydroxypyrrole/pyrrole pairs in the minor groove. J.Mol.Biol., 295, 2000
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3KXS
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![BU of 3kxs by Molmil](/molmil-images/mine/3kxs) | |
7WJH
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![BU of 7wjh by Molmil](/molmil-images/mine/7wjh) | Crystal structure of Bcl-xL bound to the BH3 domain of human Pxt1 | Descriptor: | Bcl-2-like protein 1, MAGNESIUM ION, Peroxisomal testis-specific protein 1, ... | Authors: | Lim, D, Ku, B. | Deposit date: | 2022-01-06 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Structural and biochemical analyses of Bcl-xL in complex with the BH3 domain of peroxisomal testis-specific 1. Biochem.Biophys.Res.Commun., 625, 2022
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5D3K
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![BU of 5d3k by Molmil](/molmil-images/mine/5d3k) | Crystal structure of the thioesterase domain of deoxyerythronolide B synthase | Descriptor: | CALCIUM ION, Erythronolide synthase, modules 5 and 6, ... | Authors: | Bergeret, F, Argyropoulos, P, Boddy, C.N, Schmeing, T.M. | Deposit date: | 2015-08-06 | Release date: | 2015-12-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Towards a characterization of the structural determinants of specificity in the macrocyclizing thioesterase for deoxyerythronolide B biosynthesis. Biochim.Biophys.Acta, 1860, 2015
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7K5M
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![BU of 7k5m by Molmil](/molmil-images/mine/7k5m) | CRYSTAL STRUCTURE OF HBV CAPSID Y132A MUTANT IN COMPLEX WITH N-(3-chloro-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide AT 2.65A RESOLUTION | Descriptor: | Capsid protein, ISOPROPYL ALCOHOL, N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | Authors: | Kuduk, S.D, Stoops, B, Alexander, R, Lam, A.M, Espiritu, C, Vogel, R, Lau, V, Klumpp, K, Flores, O.A, Hartman, G.D, Lukacs, C.M, Abendroth, J. | Deposit date: | 2020-09-17 | Release date: | 2021-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Identification of a new class of HBV capsid assembly modulator. Bioorg.Med.Chem.Lett., 39, 2021
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3ZV6
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![BU of 3zv6 by Molmil](/molmil-images/mine/3zv6) | CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB) FROM PANDORAEA PNOMENUSA STRAIN B-356 COMPLEX WITH CO-ENZYME NAD AND PRODUCT ANALOG 4,4'-DIHYDROXYBIPHENYL | Descriptor: | 4,4'-DIHYDROXYBIPHENYL, CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Dhindwal, S, Patil, D.N, Kumar, P. | Deposit date: | 2011-07-23 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme. J.Biol.Chem., 286, 2011
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