5BQD
| Crystal Structure of TBX5 (1-239) Dimer | Descriptor: | MAGNESIUM ION, T-box transcription factor TBX5 | Authors: | Pradhan, L, Gopal, S, Patel, A, Kasahara, H, Nam, H.J. | Deposit date: | 2015-05-28 | Release date: | 2016-03-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.583 Å) | Cite: | Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5. Biochemistry, 55, 2016
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5J1D
| X-ray crystal structure of Phosphate binding protein (PBP) from Stenotrophomonas maltophilia | Descriptor: | GLYCEROL, PHOSPHATE ION, Phosphate binding protein | Authors: | Hatti, K, Gulati, A, Narayanswamy, S, Murthy, M.R.N. | Deposit date: | 2016-03-29 | Release date: | 2016-10-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Determination of crystal structures of proteins of unknown identity using a marathon molecular replacement procedure: structure of Stenotrophomonas maltophilia phosphate-binding protein. Acta Crystallogr D Struct Biol, 72, 2016
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4ZPE
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5DRB
| Crystal structure of WNK1 in complex with WNK463 | Descriptor: | N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide, Serine/threonine-protein kinase WNK1 | Authors: | Kohls, D, Xie, X. | Deposit date: | 2015-09-15 | Release date: | 2016-09-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Small-molecule WNK inhibition regulates cardiovascular and renal function. Nat.Chem.Biol., 12, 2016
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4ZPG
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4ZPF
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6TJO
| Cryo-EM structure of TypeI tau filaments extracted from the brains of individuals with Corticobasal degeneration | Descriptor: | Microtubule-associated protein tau | Authors: | Zhang, W, Murzin, A.G, Falcon, B, Shi, Y, Goedert, M, Scheres, S.H.W. | Deposit date: | 2019-11-26 | Release date: | 2020-02-05 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Novel tau filament fold in corticobasal degeneration. Nature, 580, 2020
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7O0N
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6TJX
| Cryo-EM structure of TypeII tau filaments extracted from the brains of individuals with Corticobasal degeneration | Descriptor: | Microtubule-associated protein tau | Authors: | Zhang, W, Murzin, A.G, Falcon, B, Shi, Y, Goedert, M, Scheres, S.H.W. | Deposit date: | 2019-11-27 | Release date: | 2020-02-05 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Novel tau filament fold in corticobasal degeneration. Nature, 580, 2020
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2RU2
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7EF9
| Crystal structure of mouse MUTYH in complex with DNA containing AP site analogue:8-oxoG (Form II) | Descriptor: | Adenine DNA glycosylase, DNA (5'-D(*AP*TP*GP*AP*GP*AP*CP*(8OG)P*GP*GP*GP*AP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*TP*CP*CP*CP*(3DR)P*GP*TP*CP*TP*C)-3'), ... | Authors: | Nakamura, T, Nakabeppu, Y, Yamagata, Y. | Deposit date: | 2021-03-21 | Release date: | 2021-06-23 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure of the mammalian adenine DNA glycosylase MUTYH: insights into the base excision repair pathway and cancer. Nucleic Acids Res., 49, 2021
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7EF8
| Crystal structure of mouse MUTYH in complex with DNA containing AP site analogue:8-oxoG (Form I) | Descriptor: | Adenine DNA glycosylase, DNA (5'-D(*TP*AP*GP*TP*CP*CP*CP*(3DR)P*GP*TP*CP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*GP*AP*CP*(8OG)P*GP*GP*GP*AP*CP*T)-3'), ... | Authors: | Nakamura, T, Nakabeppu, Y, Yamagata, Y. | Deposit date: | 2021-03-21 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of the mammalian adenine DNA glycosylase MUTYH: insights into the base excision repair pathway and cancer. Nucleic Acids Res., 49, 2021
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7EFA
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7TFF
| Crystal structure of human platelet phosphofructokinase-1 mutant- D564N | Descriptor: | ATP-dependent 6-phosphofructokinase, platelet type, PHOSPHATE ION, ... | Authors: | Hansen, H, Webb, B.A, Robart, A.R, Narayanasami, S. | Deposit date: | 2022-01-06 | Release date: | 2023-07-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Cancer-associated somatic mutations in human phosphofructokinase-1 reveal a critical electrostatic interaction for allosteric regulation of enzyme activity. Biochem.J., 480, 2023
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5CF8
| CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | Descriptor: | N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Sack, J.S. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms. Acs Med.Chem.Lett., 6, 2015
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2RVK
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3QBH
| Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors | Descriptor: | (4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2H-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one, Beta-secretase 1 | Authors: | Rondeau, J.M. | Deposit date: | 2011-01-13 | Release date: | 2011-03-23 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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2GVD
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2GVZ
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2DRI
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2QZK
| Crystal structure of human Beta Secretase complexed with I21 | Descriptor: | 2-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile, Beta-secretase 1 | Authors: | Munshi, S. | Deposit date: | 2007-08-16 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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3K5C
| Human BACE-1 complex with NB-216 | Descriptor: | (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1 | Authors: | Rondeau, J.-M. | Deposit date: | 2009-10-07 | Release date: | 2010-03-02 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg.Med.Chem.Lett., 20, 2010
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9FOF
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3PI5
| Crystal Structure of Human Beta Secretase in Complex with BFG356 | Descriptor: | (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | Authors: | Rondeau, J.M. | Deposit date: | 2010-11-05 | Release date: | 2011-03-23 | Last modified: | 2017-03-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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9FOR
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