6U2N
| PCSK9 in complex with compound 4 | Descriptor: | 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9 | Authors: | Lu, J, Soisson, S. | Deposit date: | 2019-08-20 | Release date: | 2019-11-06 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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1WAV
| CRYSTAL STRUCTURE OF FORM B MONOCLINIC CRYSTAL OF INSULIN | Descriptor: | INSULIN, PHENOL, ZINC ION | Authors: | Liang, D.-C, Ding, J.-H, Chang, W.-R, Wan, Z.-L. | Deposit date: | 1996-02-28 | Release date: | 1997-02-28 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular replacement study on form-B monoclinic crystal of insulin. Sci.China, Ser.C: Life Sci., 39, 1996
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6U36
| PCSK9 in complex with a Fab and compound 14 | Descriptor: | 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Lu, J, Soisson, S. | Deposit date: | 2019-08-21 | Release date: | 2019-11-06 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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3HLC
| Simvastatin Synthase (LovD) from Aspergillus terreus, S5 mutant, unliganded | Descriptor: | GLYCEROL, TETRAETHYLENE GLYCOL, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3HLD
| Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant complex with monacolin J acid | Descriptor: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, FORMIC ACID, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3HLG
| Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with lovastatin | Descriptor: | (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3HLE
| Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with monacolin J acid | Descriptor: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3HLF
| Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with simvastatin | Descriptor: | Simvastatin acid, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3HL9
| Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded | Descriptor: | Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3HLB
| Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded, selenomethionyl derivative | Descriptor: | SULFATE ION, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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6L6W
| The structure of ScoE with intermediate | Descriptor: | (3R)-3-[[(1R)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid, FE (II) ION, FORMIC ACID, ... | Authors: | Chen, T.Y, Chen, J, Zhou, J, Chang, W. | Deposit date: | 2019-10-29 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Pathway from N-Alkylglycine to Alkylisonitrile Catalyzed by Iron(II) and 2-Oxoglutarate-Dependent Oxygenases. Angew.Chem.Int.Ed.Engl., 59, 2020
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6U3X
| PCSK9 in complex with compound 2 | Descriptor: | 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide, Proprotein convertase subtilisin/kexin type 9 | Authors: | Lu, J, Soisson, S. | Deposit date: | 2019-08-22 | Release date: | 2019-11-06 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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6U26
| PCSK9 in complex with compound 16 | Descriptor: | 4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid, Proprotein convertase subtilisin/kexin type 9 | Authors: | Orth, P. | Deposit date: | 2019-08-19 | Release date: | 2019-11-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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6U2P
| PCSK9 in complex with compound 5 | Descriptor: | 1,2-ETHANEDIOL, 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9 | Authors: | Lu, J, Soisson, S. | Deposit date: | 2019-08-20 | Release date: | 2019-11-06 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
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6KXR
| Crystal structure of wild type Alp1U from the biosynthesis of kinamycins | Descriptor: | D-MALATE, Putative hydrolase | Authors: | Zhang, L, Yingli, Z, De, B.C, Zhang, C. | Deposit date: | 2019-09-12 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.45073676 Å) | Cite: | Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U. J.Biol.Chem., 295, 2020
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6KXH
| Alp1U_Y247F mutant in complex with Fluostatin C | Descriptor: | D-MALATE, Fluostatin C, Putative hydrolase, ... | Authors: | Zhang, L, Yingli, Z, De, B.C, Zhang, C. | Deposit date: | 2019-09-11 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.78039551 Å) | Cite: | Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U. J.Biol.Chem., 295, 2020
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3CFS
| Structural basis of the interaction of RbAp46/RbAp48 with histone H4 | Descriptor: | ARSENIC, Histone H4, Histone-binding protein RBBP7 | Authors: | Murzina, N.V, Pei, X.-Y, Pratap, J.V, Sparkes, M, Vicente-Garcia, J, Ben-Shahar, T.R, Verreault, A, Luisi, B.F, Laue, E.D. | Deposit date: | 2008-03-04 | Release date: | 2008-06-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for the Recognition of Histone H4 by the Histone-Chaperone RbAp46. Structure, 16, 2008
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6L6X
| The structure of ScoE with substrate | Descriptor: | (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, D(-)-TARTARIC ACID, FE (II) ION, ... | Authors: | Chen, T.Y, Chen, J, Zhou, J, Chang, W. | Deposit date: | 2019-10-29 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Pathway from N-Alkylglycine to Alkylisonitrile Catalyzed by Iron(II) and 2-Oxoglutarate-Dependent Oxygenases. Angew.Chem.Int.Ed.Engl., 59, 2020
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6L86
| The structure of SfaA | Descriptor: | (2S)-2-hydroxybutanedioic acid, D-MALATE, FE (II) ION, ... | Authors: | Chen, T.Y, Chen, J, Zhou, J, Chang, W. | Deposit date: | 2019-11-05 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Pathway from N-Alkylglycine to Alkylisonitrile Catalyzed by Iron(II) and 2-Oxoglutarate-Dependent Oxygenases. Angew.Chem.Int.Ed.Engl., 59, 2020
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7YGG
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7YTJ
| Cryo-EM structure of VTC complex | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, INOSITOL HEXAKISPHOSPHATE, PHOSPHATE ION, ... | Authors: | Guan, Z.Y, Chen, J, Liu, R.W, Chen, Y.K, Xing, Q, Du, Z.M, Liu, Z. | Deposit date: | 2022-08-15 | Release date: | 2023-02-22 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The cytoplasmic synthesis and coupled membrane translocation of eukaryotic polyphosphate by signal-activated VTC complex. Nat Commun, 14, 2023
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4FF5
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5YU9
| Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor | Authors: | Yan, X.E, Yun, C.H. | Deposit date: | 2017-11-21 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation. Oncotarget, 7, 2016
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6KBW
| Crystal structure of Tmm from Myroides profundi D25 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethylamine monooxygenase | Authors: | Li, C.Y, Zhang, Y.Z. | Deposit date: | 2019-06-26 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.686 Å) | Cite: | Oxidation of trimethylamine to trimethylamine N-oxide facilitates high hydrostatic pressure tolerance in a generalist bacterial lineage. Sci Adv, 7, 2021
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5J8R
| Crystal Structure of the Catalytic Domain of Human Protein Tyrosine Phosphatase non-receptor Type 12 - K61R mutant | Descriptor: | Tyrosine-protein phosphatase non-receptor type 12 | Authors: | Li, H, Yang, F, Xu, Y.F, Wang, W.J, Xiao, P, Yu, X, Sun, J.P. | Deposit date: | 2016-04-08 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.043 Å) | Cite: | Crystal structure and substrate specificity of PTPN12. Cell Rep, 15, 2016
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