5AYF
| Crystal structure of SET7/9 in complex with cyproheptadine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine, Histone-lysine N-methyltransferase SETD7, ... | Authors: | Niwa, H, Handa, N, Takemoto, Y, Ito, A, Tomabechi, Y, Umehara, T, Shirouzu, M, Yoshida, M, Yokoyama, S. | Deposit date: | 2015-08-20 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Identification of Cyproheptadine as an Inhibitor of SET Domain Containing Lysine Methyltransferase 7/9 (Set7/9) That Regulates Estrogen-Dependent Transcription J.Med.Chem., 59, 2016
|
|
3J05
| Three-dimensional structure of Dengue virus serotype 1 complexed with HMAb 14c10 Fab | Descriptor: | envelope protein | Authors: | Teoh, E.P, Kukkaro, P, Teo, E.W, Lim, A, Tan, T.T, Shi, P.Y, Yip, A, Schul, W, Leo, Y.S, Chan, S.H, Smith, K.G.C, Ooi, E.E, Kemeny, D.M, Ng, G, Ng, M.L, Alonso, S, Fisher, D, Hanson, B, Lok, S.M, MacAry, P.A. | Deposit date: | 2011-04-01 | Release date: | 2012-07-04 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | The structural basis for serotype-specific neutralization of dengue virus by a human antibody. Sci Transl Med, 4, 2012
|
|
3HR5
| |
3LJ6
| |
3KLM
| 17beta-HSD1 in complex with DHT | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Estradiol 17-beta-dehydrogenase 1, GLYCEROL | Authors: | Mazumdar, M. | Deposit date: | 2009-11-08 | Release date: | 2010-04-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 17beta-hydroxysteroid dehydrogenase type 1 stimulates breast cancer by dihydrotestosterone inactivation in addition to estradiol production. Mol.Endocrinol., 24, 2010
|
|
3KT2
| Crystal Structure of N88D mutant HIV-1 Protease | Descriptor: | Protease | Authors: | Bihani, S.C, Das, A, Prashar, V, Ferrer, J.L, Hosur, M.V. | Deposit date: | 2009-11-24 | Release date: | 2010-02-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Resistance mechanism revealed by crystal structures of unliganded nelfinavir-resistant HIV-1 protease non-active site mutants N88D and N88S. Biochem.Biophys.Res.Commun., 389, 2009
|
|
3LJ7
| |
3LOW
| |
3LOZ
| |
2AZ8
| HIV-1 Protease NL4-3 in complex with inhibitor, TL-3 | Descriptor: | PROTEASE RETROPEPSIN, 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: | Heaslet, H, Kutilek, V, Morris, G.M, Lin, Y.-C, Elder, J.H, Torbett, B.E, Stout, C.D. | Deposit date: | 2005-09-09 | Release date: | 2006-02-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights into the Mechanisms of Drug Resistance in HIV-1 Protease NL4-3 J.Mol.Biol., 356, 2006
|
|
1YV4
| X-ray structure of M23L onconase at 100K | Descriptor: | P-30 protein, SULFATE ION | Authors: | Merlino, A, Mazzarella, L, Carannante, A, Di Fiore, A, Di Donato, A, Notomista, E, Sica, F. | Deposit date: | 2005-02-15 | Release date: | 2005-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | The Importance of Dynamic Effects on the Enzyme Activity: X-RAY STRUCTURE AND MOLECULAR DYNAMICS OF ONCONASE MUTANTS J.Biol.Chem., 280, 2005
|
|
2BLY
| HEWL after a high dose x-ray "burn" | Descriptor: | LYSOZYME C, TETRAETHYLENE GLYCOL | Authors: | Nanao, M.H, Ravelli, R.B. | Deposit date: | 2005-03-08 | Release date: | 2005-09-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Improving Radiation-Damage Substructures for Rip. Acta Crystallogr.,Sect.D, 61, 2005
|
|
2BWI
| Atomic Resolution Structure of Nitrite -soaked Achromobacter cycloclastes Cu Nitrite Reductase | Descriptor: | ACETATE ION, COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, ... | Authors: | Antonyuk, S.V, Strange, R.W, Sawers, G, Eady, R.R, Hasnain, S.S. | Deposit date: | 2005-07-14 | Release date: | 2005-08-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic Resolution Structures of Resting-State, Substrate- and Product-Complexed Cu-Nitrite Reductase Provide Insight Into Catalytic Mechanism Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
9F1I
| Crystal structure of a first-in-class antibody for alpha-1,6-fucosylated prostate-specific antigen, target bound | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-azanylethoxy)ethoxy]ethanoic acid, Heavy chain rabbit fab, ... | Authors: | Halldorsson, S. | Deposit date: | 2024-04-19 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Development of a first-in-class antibody and a specific assay for alpha-1,6-fucosylated prostate-specific antigen. Sci Rep, 14, 2024
|
|
9FCZ
| Coxsackievirus A9 bound with compound 17 (CL301) | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | Deposit date: | 2024-05-16 | Release date: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (2.53 Å) | Cite: | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders. J.Med.Chem., 2024
|
|
8WDO
| Crystal structure of PDE4D complexed with DCN | Descriptor: | 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol, MAGNESIUM ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-09-15 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Identification of Dihydrobenzofuran Neolignans as Novel PDE4 Inhibitors and Evaluation of Antiatopic Dermatitis Efficacy in DNCB-Induced Mice Model. J.Med.Chem., 67, 2024
|
|
9FKZ
| Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors | Descriptor: | Bcl-2-related protein A1, ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(4-chlorophenyl)methyl]prop-2-enamide | Authors: | Hargreaves, D. | Deposit date: | 2024-06-04 | Release date: | 2024-10-02 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.684 Å) | Cite: | Structure-Based Optimization of a Series of Covalent, Cell Active Bfl-1 Inhibitors. J.Med.Chem., 67, 2024
|
|
9FL0
| Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors | Descriptor: | Bcl-2-related protein A1, ~{N}-[(4-chlorophenyl)methyl]-~{N}-(4-fluorophenyl)prop-2-enamide | Authors: | Hargreaves, D. | Deposit date: | 2024-06-04 | Release date: | 2024-10-02 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure-Based Optimization of a Series of Covalent, Cell Active Bfl-1 Inhibitors. J.Med.Chem., 67, 2024
|
|
8XN7
| Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9f | Descriptor: | 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Huang, W.X, Liu, R, Ding, K. | Deposit date: | 2023-12-29 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of 5-aminopyrido[2,3-d]pyrimidin-7(8H)-one derivatives as new hematopoietic progenitor kinase 1 (HPK1) inhibitors. Eur.J.Med.Chem., 269, 2024
|
|
1IIJ
| |
8WBY
| Cryo-EM structure of ACE2-B0AT1 complex with JX98 | Descriptor: | 2-(4-chloranyl-3,5-dimethyl-phenoxy)-~{N}-propan-2-yl-ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, R, Hu, Z, Dai, L. | Deposit date: | 2023-09-10 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Molecular basis of inhibition of the amino acid transporter B 0 AT1 (SLC6A19). Nat Commun, 15, 2024
|
|
8WFP
| Crystal structure of polo-like kinase(PLK1)PBD in complex with DD-1 | Descriptor: | DD-1, Serine/threonine-protein kinase PLK1 | Authors: | Park, J, La, Y.K, Bang, J.K, Lee, S.J. | Deposit date: | 2023-09-20 | Release date: | 2024-09-25 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Degradation of Polo-like Kinase 1 by the Novel Poly-Arginine N-Degron Pathway PROTAC Regulates Tumor Growth in Nonsmall Cell Lung Cancer. J.Med.Chem., 67, 2024
|
|
9FO2
| Coxsackievirus A9 bound with compound 15 (CL278) | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | Deposit date: | 2024-06-11 | Release date: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders. J.Med.Chem., 2024
|
|
8WBZ
| Cryo-EM structure of ACE2-B0AT1 complex with JX225 | Descriptor: | 2-(4-bromanyl-3-methyl-phenoxy)-~{N}-propyl-ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, R, Hu, Z, Dai, L. | Deposit date: | 2023-09-10 | Release date: | 2024-09-11 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular basis of inhibition of the amino acid transporter B 0 AT1 (SLC6A19). Nat Commun, 15, 2024
|
|
8Y66
| Cryo-EM structure of human urate transporter GLUT9 bound to inhibitor apigenin | Descriptor: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Solute carrier family 2, facilitated glucose transporter member 9 | Authors: | Pan, X.J, Shen, Z.L, Xu, L, Huang, G.X.Y. | Deposit date: | 2024-02-01 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structural basis for urate recognition and apigenin inhibition of human GLUT9. Nat Commun, 15, 2024
|
|