2Y5N
| Structure of the mixed-function P450 MycG in complex with mycinamicin V in P21 space group | Descriptor: | GLYCEROL, MAGNESIUM ION, MYCINAMICIN V, ... | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | Deposit date: | 2011-01-15 | Release date: | 2012-02-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
|
|
2Y00
| TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND PARTIAL AGONIST DOBUTAMINE (CRYSTAL DOB92) | Descriptor: | BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, DOBUTAMINE, ... | Authors: | Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G. | Deposit date: | 2010-11-30 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor Nature, 469, 2011
|
|
3QLM
| Crystal structure of porcine pancreatic phospholipase A2 in complex with n-hexadecanoic acid | Descriptor: | CALCIUM ION, PALMITIC ACID, Phospholipase A2, ... | Authors: | Aparna, V, Dileep, K.V, Karthe, P, Mandal, P.K, Sadasivan, C, Haridas, M. | Deposit date: | 2011-02-03 | Release date: | 2011-04-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Anti-inflammatory property of n-hexadecanoic acid: Structural evidence and Kinetic assessment. Chem.Biol.Drug Des., 2012
|
|
3ZVQ
| Crystal Structure of proteolyzed lysozyme | Descriptor: | LYSOZYME C | Authors: | Kishan, K.V, Sharma, A. | Deposit date: | 2011-07-26 | Release date: | 2011-10-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Salt-assisted religation of proteolyzed Glutathione-S-transferase follows Hofmeister series. Protein Pept.Lett., 17, 2010
|
|
4KL1
| HCN4 CNBD in complex with cGMP | Descriptor: | ACETATE ION, CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, ... | Authors: | Lolicato, M, Arrigoni, C, Zucca, S, Nardini, M, Bucchi, A, Schroeder, I, Simmons, K, Bolognesi, M, DiFrancesco, D, Schwede, F, Fishwick, C.W.G, Johnson, A.P.K, Thiel, G, Moroni, A. | Deposit date: | 2013-05-07 | Release date: | 2014-04-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cyclic dinucleotides bind the C-linker of HCN4 to control channel cAMP responsiveness. Nat.Chem.Biol., 10, 2014
|
|
3QNJ
| |
7YJD
| Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2022-07-19 | Release date: | 2023-07-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine To Be Published
|
|
3ZS2
| TyrB25,NMePheB26,LysB28,ProB29-insulin analogue crystal structure | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | Authors: | Antolikova, E, Zakova, L, Turkenburg, J.P, Watson, C.J, Hanclova, I, Sanda, M, Cooper, A, Kraus, T, Brzozowski, A.M, Jiracek, J.A. | Deposit date: | 2011-06-21 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Non-Equivalent Role of Inter- and Intramolecular Hydrogen Bonds in the Insulin Dimer Interface. J.Biol.Chem., 286, 2011
|
|
4FDH
| Structure of human aldosterone synthase, CYP11B2, in complex with fadrozole | Descriptor: | 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B2, mitochondrial, ... | Authors: | Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W. | Deposit date: | 2012-05-28 | Release date: | 2013-01-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural insights into aldosterone synthase substrate specificity and targeted inhibition. Mol.Endocrinol., 27, 2013
|
|
4KLZ
| Inhibition of Small GTPases by Stabilization of the GDP Complex, a Novel Approach applied to Rit1, a Target for Rheumatoid Arthritis | Descriptor: | GTP-binding protein Rit1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Shah, D.M, Kobayashi, M, Keizers, P.H, Tuin, A.W, Ab, E, Manning, L, Rzepiela, A.A, Andrews, M, Hoedemaeker, F.J, Siegal, G. | Deposit date: | 2013-05-07 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibition of Small GTPases by Stabilization of the GDP Complex, a Novel Approach applied to Rit1, a Target for Rheumatoid Arthritis To be Published
|
|
4FEI
| Hsp17.7 from Deinococcus radiodurans | Descriptor: | Heat shock protein-related protein | Authors: | Bepperling, A, Alte, F, Kriehuber, T, Braun, N, Weinkauf, S, Groll, M, Haslbeck, M, Buchner, J. | Deposit date: | 2012-05-30 | Release date: | 2012-12-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Alternative bacterial two-component small heat shock protein systems. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4KMW
| Structure of the Y34N MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH 2,4,6-TRICHLOROPHENOL | Descriptor: | 2,4,6-trichlorophenol, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wang, C, Lovelace, L, Lebioda, L. | Deposit date: | 2013-05-08 | Release date: | 2013-09-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I. Biochemistry, 52, 2013
|
|
2ZDN
| Exploring trypsin S3 pocket | Descriptor: | (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Baum, B, Brandt, T, Heine, A, Klebe, G. | Deposit date: | 2007-11-26 | Release date: | 2008-10-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties J.Mol.Biol., 405, 2011
|
|
4KS3
| Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | Descriptor: | (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | Authors: | Kerry, P.S, Russell, R.J.M. | Deposit date: | 2013-05-17 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors. Sci Rep, 3, 2013
|
|
4FCO
| Crystal structure of bace1 with its inhibitor | Descriptor: | Beta-secretase 1, N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide, SULFATE ION, ... | Authors: | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | Deposit date: | 2012-05-25 | Release date: | 2013-05-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations To be Published, 2012
|
|
2ZDZ
| X-ray structure of Bace-1 in complex with compound 3.b.10 | Descriptor: | Beta-secretase 1, N-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide | Authors: | Chopra, R, Olland, A. | Deposit date: | 2007-12-04 | Release date: | 2008-12-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets. Bioorg.Med.Chem.Lett., 18, 2008
|
|
3QIO
| Crystal Structure of HIV-1 RNase H with engineered E. coli loop and N-hydroxy quinazolinedione inhibitor | Descriptor: | 3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione, Gag-Pol polyprotein,Ribonuclease HI,Gag-Pol polyprotein, MANGANESE (II) ION, ... | Authors: | Lansdon, E.B, Liu, Q. | Deposit date: | 2011-01-27 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4011 Å) | Cite: | Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors. Antimicrob.Agents Chemother., 55, 2011
|
|
3Q77
| Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxyethyl (4R)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ... | Authors: | Hansen, G, Niefind, K. | Deposit date: | 2011-01-04 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Unexpected active-site flexibility in the structure of human neutrophil elastase in complex with a new dihydropyrimidone inhibitor. J.Mol.Biol., 409, 2011
|
|
3ZOY
| Crystal Structure of N64Del Mutant of Nitrosomonas europaea Cytochrome c552 (hexagonal space group) | Descriptor: | CYTOCHROME C-552, HEME C | Authors: | Hersleth, H.-P, Can, M, Krucinska, J, Zoppellaro, G, Andersen, N.H, Wedekind, J.E, Andersson, K.K, Bren, K.L. | Deposit date: | 2013-02-26 | Release date: | 2013-08-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Characterization of Nitrosomonas Europaea Cytochrome C-552 Variants with Marked Differences in Electronic Structure. Chembiochem, 14, 2013
|
|
4KS5
| Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | Descriptor: | (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | Authors: | Kerry, P.S, Russell, R.J.M. | Deposit date: | 2013-05-17 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.699 Å) | Cite: | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors. Sci Rep, 3, 2013
|
|
3ZQ3
| Crystal Structure of Rat Odorant Binding Protein 3 (OBP3) | Descriptor: | OBP3 PROTEIN | Authors: | Portman, K.L, Long, J, Carr, S, Brand, L, Winzor, D.J, Searle, M, Scott, D.J. | Deposit date: | 2013-03-05 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Enthalpy/Entropy Compensation Effects from Cavity Desolvation Underpin Broad Ligand Binding Selectivity for Rat Odorant Binding Protein 3 Biochemistry, 53, 2014
|
|
3QKG
| |
1GAY
| CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS | Descriptor: | MUTANT LYSOZYME, SODIUM ION | Authors: | Funahashi, J, Takano, K, Yamagata, Y, Yutani, K. | Deposit date: | 2000-06-26 | Release date: | 2000-06-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of surface hydrophobic residues in the conformational stability of human lysozyme at three different positions. Biochemistry, 39, 2000
|
|
7YK4
| ox40-antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor receptor superfamily member 4, antibody-H, ... | Authors: | Zhou, A. | Deposit date: | 2022-07-21 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis of a Novel Agonistic Anti-OX40 Antibody. Biomolecules, 12, 2022
|
|
4KJT
| Structure of the L100F MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH OXYGEN | Descriptor: | 1,2-ETHANEDIOL, Dehaloperoxidase A, OXYGEN MOLECULE, ... | Authors: | Wang, C, Lovelace, L, Lebioda, L. | Deposit date: | 2013-05-03 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Influence of heme environment structure on dioxygen affinity for the dual function Amphitrite ornata hemoglobin/dehaloperoxidase. Insights into the evolutional structure-function adaptations. Arch.Biochem.Biophys., 545, 2014
|
|