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
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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
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3HR5
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3LJ6
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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
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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
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3LJ7
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3LOW
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3LOZ
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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1IIJ
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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
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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
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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
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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
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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
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