7KEN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ken by Molmil](/molmil-images/mine/7ken) | |
381D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 381d by Molmil](/molmil-images/mine/381d) | BINDING OF THE MODIFIED DAUNORUBICIN WP401 ADJACENT TO A T-G BASE PAIR INDUCES THE REVERSE WATSON-CRICK CONFORMATION: CRYSTAL STRUCTURES OF THE WP401-TGGCCG AND WP401-CGG[BR5C]CG COMPLEXES | Descriptor: | 2'-BROMO-4'-EPIDAUNORUBICIN, DNA (5'-D(*TP*GP*(G49)P*CP*CP*G)-3'), DNA (5'-D(*TP*GP*GP*CP*CP*G)-3') | Authors: | Dutta, R, Gao, Y.-G, Priebe, W, Wang, A.H.-J. | Deposit date: | 1998-02-18 | Release date: | 1998-07-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of the modified daunorubicin WP401 adjacent to a T-G base pair induces the reverse Watson-Crick conformation: crystal structures of the WP401-TGGCCG and WP401-CGG[br5C]CG complexes. Nucleic Acids Res., 26, 1998
|
|
7L11
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l11 by Molmil](/molmil-images/mine/7l11) | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 5 | Descriptor: | 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile, 3C-like proteinase | Authors: | Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-12-14 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. Acs Cent.Sci., 7, 2021
|
|
5FZM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fzm by Molmil](/molmil-images/mine/5fzm) | Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid (N09989b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid, CHLORIDE ION, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | Deposit date: | 2016-03-14 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 5-(2-Fluorophenyl)-1,3-Oxazole-4-Carboxylic Acid (N09989B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published
|
|
2UZV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2uzv by Molmil](/molmil-images/mine/2uzv) | PKA structures of indazole-pyridine series of AKT inhibitors | Descriptor: | (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA,, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2007-05-01 | Release date: | 2007-06-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension. J.Med.Chem., 50, 2007
|
|
8UDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8udg by Molmil](/molmil-images/mine/8udg) | S1V2-72 Fab bound to EHA2 from influenza B/Malaysia/2506/2004 | Descriptor: | Hemagglutinin, S1V2-72 heavy chain, S1V2-72 light chain | Authors: | Finney, J, Kong, S, Walsh Jr, R.M, Harrison, S.C, Kelsoe, G. | Deposit date: | 2023-09-28 | Release date: | 2023-11-15 | Last modified: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (4.98 Å) | Cite: | Protective human antibodies against a conserved epitope in pre- and postfusion influenza hemagglutinin. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
7QIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qiq by Molmil](/molmil-images/mine/7qiq) | CRYSTAL STRUCTURE OF THE P1 aminobutanoic acid (ABU) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | Authors: | Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B. | Deposit date: | 2021-12-15 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin. Rsc Chem Biol, 3, 2022
|
|
7KZP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kzp by Molmil](/molmil-images/mine/7kzp) | Structure of the human Fanconi anaemia Core complex | Descriptor: | E3 ubiquitin-protein ligase FANCL, Fanconi anemia core complex-associated protein 100, Fanconi anemia core complex-associated protein 20, ... | Authors: | Wang, S.L, Pavletich, N.P. | Deposit date: | 2020-12-10 | Release date: | 2021-03-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of the FA core ubiquitin ligase closing the ID clamp on DNA. Nat.Struct.Mol.Biol., 28, 2021
|
|
2UZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2uzw by Molmil](/molmil-images/mine/2uzw) | PKA structures of indazole-pyridine series of AKT inhibitors | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2007-05-01 | Release date: | 2007-06-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension. J.Med.Chem., 50, 2007
|
|
3F34
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f34 by Molmil](/molmil-images/mine/3f34) | Apoferritin: complex with 2,6-diethylphenol | Descriptor: | 2,6-diethylphenol, ACETATE ION, CADMIUM ION, ... | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | Deposit date: | 2008-10-30 | Release date: | 2009-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A unitary anesthetic binding site at high resolution. J.Biol.Chem., 284, 2009
|
|
3AIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3aiq by Molmil](/molmil-images/mine/3aiq) | Crystal structure of beta-glucosidase in wheat complexed with an aglycone DIMBOA | Descriptor: | 2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE, Beta-glucosidase | Authors: | Sue, M, Nakamura, C, Miyamoto, T, Yajima, S. | Deposit date: | 2010-05-18 | Release date: | 2011-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Active-site architecture of benzoxazinone-glucoside beta-D-glucosidases in Triticeae Plant Sci., 180, 2011
|
|
4HUS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hus by Molmil](/molmil-images/mine/4hus) | Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus in complex with virginiamycin M1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Stogios, P.J, Minasov, G, Evdokimova, E, Wawrzak, Z, Yim, V, Krishnamoorthy, M, Di Leo, R, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-11-03 | Release date: | 2012-11-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Potential for Reduction of Streptogramin A Resistance Revealed by Structural Analysis of Acetyltransferase VatA. Antimicrob.Agents Chemother., 58, 2014
|
|
7KJ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kj0 by Molmil](/molmil-images/mine/7kj0) | hyperoxidized human peroxiredoxin 2 | Descriptor: | Peroxiredoxin-2 | Authors: | Kean, K.M, Karplus, P.A. | Deposit date: | 2020-10-25 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Modifying the resolving cysteine affects the structure and hydrogen peroxide reactivity of peroxiredoxin 2. J.Biol.Chem., 296, 2021
|
|
3F3G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f3g by Molmil](/molmil-images/mine/3f3g) | Crystal structure of the nucleoporin pair Nup85-Seh1, space group P212121 | Descriptor: | Nucleoporin NUP85, Nucleoporin SEH1 | Authors: | Debler, E.W, Hseo, H, Ma, Y, Blobel, G, Hoelz, A. | Deposit date: | 2008-10-30 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.75 Å) | Cite: | A fence-like coat for the nuclear pore membrane. Mol.Cell, 32, 2008
|
|
4HWK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hwk by Molmil](/molmil-images/mine/4hwk) | Crystal structure of human sepiapterin reductase in complex with sulfapyridine | Descriptor: | 4-amino-N-(pyridin-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Groenlund Pedersen, M, Pojer, F, Johnsson, K. | Deposit date: | 2012-11-08 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs. Science, 340, 2013
|
|
3FOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3foa by Molmil](/molmil-images/mine/3foa) | Crystal structure of the bacteriophage T4 tail sheath protein, deletion mutant gp18M | Descriptor: | Tail sheath protein Gp18 | Authors: | Aksyuk, A.A, Leiman, P.G, Kurochkina, L.P, Shneider, M.M, Kostyuchenko, V.A, Mesyanzhinov, V.V, Rossmann, M.G. | Deposit date: | 2008-12-29 | Release date: | 2009-03-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The tail sheath structure of bacteriophage T4: a molecular machine for infecting bacteria. Embo J., 28, 2009
|
|
4MML
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mml by Molmil](/molmil-images/mine/4mml) | D40A Hfq from Pseudomonas aeruginosa | Descriptor: | MAGNESIUM ION, Protein hfq, SULFATE ION, ... | Authors: | Murina, V.N, Filimonov, V.V, Melnik, B.S, Uhlein, M, Mueller, U, Weiss, M, Nikulin, A.D. | Deposit date: | 2013-09-09 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Effect of conserved intersubunit amino Acid substitutions on hfq protein structure and stability. Biochemistry Mosc., 79, 2014
|
|
7QKH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qkh by Molmil](/molmil-images/mine/7qkh) | |
2EBN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ebn by Molmil](/molmil-images/mine/2ebn) | |
4MMV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mmv by Molmil](/molmil-images/mine/4mmv) | Crystal Structure of Prefusion-stabilized RSV F Variant DS-Cav1-TriC at pH 9.5 | Descriptor: | Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2 | Authors: | Stewart-Jones, G.B.E, McLellan, J.S, Joyce, M.G, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D. | Deposit date: | 2013-09-09 | Release date: | 2013-11-20 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus. Science, 342, 2013
|
|
5FT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ft8 by Molmil](/molmil-images/mine/5ft8) | Crystal structure of the complex between the cysteine desulfurase CsdA and the sulfur-acceptor CsdE in the persulfurated state at 2.50 Angstroem resolution | Descriptor: | Cysteine desulfurase CsdA, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C. | Deposit date: | 2016-01-11 | Release date: | 2016-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System Acs Catalysis, 6, 2016
|
|
4HVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hvx by Molmil](/molmil-images/mine/4hvx) | tRNA-guanine transglycosylase Y106F, C158V mutant in complex with queuine | Descriptor: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2012-11-07 | Release date: | 2012-12-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor. Plos One, 8, 2013
|
|
5CP4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cp4 by Molmil](/molmil-images/mine/5cp4) | CRYOGENIC STRUCTURE OF P450CAM | Descriptor: | CAMPHOR, CYTOCHROME P450CAM, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 1998-05-28 | Release date: | 1998-09-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Understanding the role of the essential Asp251 in cytochrome p450cam using site-directed mutagenesis, crystallography, and kinetic solvent isotope effect. Biochemistry, 37, 1998
|
|
8UH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uh4 by Molmil](/molmil-images/mine/8uh4) | |
7L30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l30 by Molmil](/molmil-images/mine/7l30) | Binjari virus (BinJV) | Descriptor: | Envelope protein E, prM protein | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | Deposit date: | 2020-12-17 | Release date: | 2021-03-10 | Last modified: | 2021-05-26 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | The structure of an infectious immature flavivirus redefines viral architecture and maturation. Sci Adv, 7, 2021
|
|