4JOO
| Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors | Descriptor: | (4R)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one, Beta-secretase 1, NICKEL (II) ION | Authors: | Vigers, G.P.A, Smith, D. | Deposit date: | 2013-03-18 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species. J.Med.Chem., 56, 2013
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8OFL
| Coproporphyrin III - LmCpfC complex soaked 4min with Fe2+ | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Coproporphyrin III ferrochelatase, ... | Authors: | Gabler, T, Hofbauer, S. | Deposit date: | 2023-03-16 | Release date: | 2023-04-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Iron insertion into coproporphyrin III-ferrochelatase complex: Evidence for an intermediate distorted catalytic species. Protein Sci., 32, 2023
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6T7I
| Structure of yeast 80S ribosome stalled on the CGA-CGA inhibitory codon combination. | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | Authors: | Tesina, P, Buschauer, R, Cheng, J, Berninghausen, O, Becker, R, Beckmann, R. | Deposit date: | 2019-10-22 | Release date: | 2019-12-25 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular mechanism of translational stalling by inhibitory codon combinations and poly(A) tracts. Embo J., 39, 2020
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6T4D
| Crystal structure of Plasmodium falciparum Morn1 | Descriptor: | Morn1, ZINC ION | Authors: | Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K. | Deposit date: | 2019-10-13 | Release date: | 2020-11-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats. Plos One, 15, 2020
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8OMM
| Coproporphyrin III - LmCpfC complex soaked 3min with Fe2+ | Descriptor: | 1,2-ETHANEDIOL, Coproporphyrin III ferrochelatase, FE (II) ION, ... | Authors: | Gabler, T, Hofbauer, S. | Deposit date: | 2023-03-31 | Release date: | 2023-05-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Iron insertion into coproporphyrin III-ferrochelatase complex: Evidence for an intermediate distorted catalytic species. Protein Sci., 32, 2023
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4ACM
| CDK2 IN COMPLEX WITH 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}-PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE | Descriptor: | 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2, GLYCEROL | Authors: | Berg, S, Bhat, R, Anderson, M, Bergh, M, Brassington, C, Hellberg, S, Jerning, E, Hogdin, K, Lo-Alfredsson, Y, Neelissen, J, Nilsson, Y, Ormo, M, Soderman, P, Stanway, J, Tucker, J, von Berg, S, Weigelt, T, Xue, Y. | Deposit date: | 2011-12-16 | Release date: | 2012-05-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines. J. Med. Chem., 55, 2012
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8ONV
| KRAS-G13D in complex with BI-2493 | Descriptor: | (7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2023-04-04 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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7W5A
| The cryo-EM structure of human pre-C*-II complex | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ... | Authors: | Zhan, X, Lu, Y, Shi, Y. | Deposit date: | 2021-11-29 | Release date: | 2022-06-22 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Mechanism of exon ligation by human spliceosome. Mol.Cell, 82, 2022
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7W5B
| The cryo-EM structure of human C* complex | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ... | Authors: | Zhan, X, Lu, Y, Shi, Y. | Deposit date: | 2021-11-29 | Release date: | 2022-06-22 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Mechanism of exon ligation by human spliceosome. Mol.Cell, 82, 2022
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6T4Q
| Structure of yeast 80S ribosome stalled on the CGA-CCG inhibitory codon combination. | Descriptor: | 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ... | Authors: | Tesina, P, Buschauer, R, Cheng, J, Berninghausen, O, Becker, R, Beckmann, R. | Deposit date: | 2019-10-14 | Release date: | 2019-12-25 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Molecular mechanism of translational stalling by inhibitory codon combinations and poly(A) tracts. Embo J., 39, 2020
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8OXU
| Crystal Structure of the Hsp90-LA1011 Complex | Descriptor: | ATP-dependent molecular chaperone HSP82, dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate | Authors: | Roe, S.M, Prodromou, C. | Deposit date: | 2023-05-02 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by Which LA1011 May Improve the Prognosis of Alzheimer's Disease. Biomolecules, 13, 2023
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6D2W
| Crystal structure of Prevotella bryantii endo-beta-mannanase/endo-beta-glucanase PbGH26A-GH5A | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aryl-phospho-beta-D-glucosidase BglC, GH1 family, ... | Authors: | Stogios, P.J, Skarina, T, McGregor, N, Nocek, B, Di Leo, R, Brumer, H, Savchenko, A. | Deposit date: | 2018-04-14 | Release date: | 2019-10-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of Prevotella bryantii endo-beta-mannanase/endo-beta-glucanase PbGH26A-GH5A To Be Published
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5OGR
| Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR286 inhibitor | Descriptor: | 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE, ACETATE ION, Cathepsin B-like peptidase (C01 family) | Authors: | Jilkova, A, Rezacova, P, Brynda, J, Mares, M. | Deposit date: | 2017-07-13 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors. Acs Infect Dis., 2020
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7LZM
| COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS | Descriptor: | CHLORIDE ION, T4 LYSOZYME | Authors: | Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W. | Deposit date: | 1991-01-25 | Release date: | 1992-07-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths. Proteins, 10, 1991
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5OGQ
| Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR391 inhibitor | Descriptor: | ACETATE ION, Cathepsin B-like peptidase (C01 family), ethyl 1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{S})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate | Authors: | Jilkova, A, Rezacova, P, Brynda, J, Mares, M. | Deposit date: | 2017-07-13 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors. Acs Infect Dis., 2020
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1IAJ
| CRYSTAL STRUCTURE OF THE ATYPICAL PROTEIN KINASE DOMAIN OF A TRP CA-CHANNEL, CHAK (APO) | Descriptor: | TRANSIENT RECEPTOR POTENTIAL-RELATED PROTEIN, ZINC ION | Authors: | Yamaguchi, H, Matsushita, M, Nairn, A.C, Kuriyan, J. | Deposit date: | 2001-03-22 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the atypical protein kinase domain of a TRP channel with phosphotransferase activity. Mol.Cell, 7, 2001
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1IAH
| CRYSTAL STRUCTURE OF THE ATYPICAL PROTEIN KINASE DOMAIN OF A TRP CA-CHANNEL, CHAK (ADP-MG COMPLEX) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Yamaguchi, H, Matsushita, M, Nairn, A.C, Kuriyan, J. | Deposit date: | 2001-03-22 | Release date: | 2001-06-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the atypical protein kinase domain of a TRP channel with phosphotransferase activity. Mol.Cell, 7, 2001
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3GSB
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7ZA4
| GSTF sh155 mutant | Descriptor: | Glutathione transferase, SODIUM ION | Authors: | Papageorgiou, A.C. | Deposit date: | 2022-03-22 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Directed Evolution of Phi Class Glutathione Transferases Involved in Multiple-Herbicide Resistance of Grass Weeds and Crops. Int J Mol Sci, 23, 2022
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3CAV
| Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 5beta-pregnan-3,20-dione | Descriptor: | (5BETA)-PREGNANE-3,20-DIONE, 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, ... | Authors: | Faucher, F, Cantin, L, Breton, R. | Deposit date: | 2008-02-20 | Release date: | 2008-07-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of human Delta4-3-ketosteroid 5beta-reductase defines the functional role of the residues of the catalytic tetrad in the steroid double bond reduction mechanism. Biochemistry, 47, 2008
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7ZA5
| GSTF sh101 mutant | Descriptor: | Glutathione transferase | Authors: | Papageorgiou, A.C. | Deposit date: | 2022-03-22 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Directed Evolution of Phi Class Glutathione Transferases Involved in Multiple-Herbicide Resistance of Grass Weeds and Crops. Int J Mol Sci, 23, 2022
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2QH6
| Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic diarylethylene Compound | Descriptor: | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | Deposit date: | 2007-06-29 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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4JPE
| Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors | Descriptor: | (4R)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'H-spiro[imidazole-4,1'-naphthalen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | Authors: | Vigers, G.P.A, Smith, D. | Deposit date: | 2013-03-19 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species. J.Med.Chem., 56, 2013
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3A8U
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3CH5
| The crystal structure of the RanGDP-Nup153ZnF2 complex | Descriptor: | Fragment of Nuclear pore complex protein Nup153, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Vetter, I.R, Schrader, N. | Deposit date: | 2008-03-07 | Release date: | 2008-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of the Ran-Nup153ZnF2 Complex: a General Ran Docking Site at the Nuclear Pore Complex Structure, 16, 2008
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