7VXX
| Zika virus NS2B/NS3 protease bZipro(C143S) in complex with 4-amino benzamidine | Descriptor: | P-AMINO BENZAMIDINE, Serine protease NS3, Serine protease subunit NS2B | Authors: | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | Deposit date: | 2021-11-13 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease. Bioorg.Chem., 128, 2022
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7VXY
| Zika virus NS2B/NS3 protease bZipro(C143S) in complex with D-RKOR | Descriptor: | Peptide inhibitor, Serine protease NS3, Serine protease subunit NS2B | Authors: | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | Deposit date: | 2021-11-13 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease. Bioorg.Chem., 128, 2022
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4IVT
| Crystal structure of BACE1 with its inhibitor | Descriptor: | Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1H-indol-1-yl)acetamide, SULFATE ION | Authors: | Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C. | Deposit date: | 2013-01-23 | Release date: | 2013-11-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors Molecules, 18, 2013
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4IVS
| Crystal structure of BACE1 with its inhibitor | Descriptor: | Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide | Authors: | Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C. | Deposit date: | 2013-01-23 | Release date: | 2013-11-13 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.636 Å) | Cite: | Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors Molecules, 18, 2013
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8DZH
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8DZI
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6P7G
| The co-crystal structure of BRAF(V600E) with PHI1 | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide, Serine/threonine-protein kinase B-raf | Authors: | Agianian, B, Gavathiotis, E. | Deposit date: | 2019-06-05 | Release date: | 2020-09-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Inhibitors of BRAF dimers using an allosteric site. Nat Commun, 11, 2020
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6P3D
| The co-crystal structure of BRAF(V600E) with ponatinib | Descriptor: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, AMMONIUM ION, ... | Authors: | Agianian, B, Gavathiotis, E. | Deposit date: | 2019-05-23 | Release date: | 2020-09-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Inhibitors of BRAF dimers using an allosteric site. Nat Commun, 11, 2020
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8H08
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8H07
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6YPI
| Structure of the engineered metallo-Diels-Alderase DA7 W16G,K58Q,L77R,T78R | Descriptor: | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, BENZOIC ACID, DA7 W16G,K58Q,L77R,T78R, ... | Authors: | Basler, S, Mori, T, Hilvert, D. | Deposit date: | 2020-04-16 | Release date: | 2021-04-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.479 Å) | Cite: | Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold. Nat.Chem., 13, 2021
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8HF3
| Cryo-EM structure of human ZDHHC9/GCP16 complex | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, Golgin subfamily A member 7, PALMITIC ACID, ... | Authors: | Wu, J, Hu, Q, Zhang, Y, Liu, S, Yang, A. | Deposit date: | 2022-11-09 | Release date: | 2023-11-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Regulation of RAS palmitoyltransferases by accessory proteins and palmitoylation. Nat.Struct.Mol.Biol., 31, 2024
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8HFC
| Cryo-EM structure of yeast Erf2/Erf4 complex | Descriptor: | PALMITIC ACID, Palmitoyltransferase ERF2, Ras modification protein ERF4, ... | Authors: | Wu, J, Hu, Q, Zhang, Y, Yang, A, Liu, S. | Deposit date: | 2022-11-10 | Release date: | 2023-11-22 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Regulation of RAS palmitoyltransferases by accessory proteins and palmitoylation. Nat.Struct.Mol.Biol., 31, 2024
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5ODG
| Crystal structure of Smad3-MH1 bound to the GGCT site. | Descriptor: | CHLORIDE ION, DNA (5'-D(P*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), Mothers against decapentaplegic homolog 3, ... | Authors: | Kaczmarska, Z, Marquez, J.A, Macias, M.J. | Deposit date: | 2017-07-05 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors. Nat Commun, 8, 2017
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5OD6
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7RHB
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7RHA
| A new fluorescent protein darkmRuby at pH 5.0 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ... | Authors: | Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J. | Deposit date: | 2021-07-16 | Release date: | 2022-07-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a new fluorescent protein darkmRuby at pH 5.0 To Be Published
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7RHC
| A new fluorescent protein darkmRuby at pH 9.0 | Descriptor: | 1,2-ETHANEDIOL, darkmRuby | Authors: | Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J. | Deposit date: | 2021-07-16 | Release date: | 2022-07-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Long-range Interaction Affects Brightness and pH Stability of a Dark Fluorescent Protein To Be Published
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7RHD
| darkmRuby M94T/F96Y mutant at pH 7.5 | Descriptor: | 1,2-ETHANEDIOL, darkmRuby M94T/F96Y mutant | Authors: | Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J. | Deposit date: | 2021-07-16 | Release date: | 2022-07-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Long-range Interaction Affects Brightness and pH Stability of a Dark Fluorescent Protein To Be Published
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8XQW
| Cryo-EM structure of the Ycf2-FtsHi motor complex from Chlamydomonas reinhardtii in AMPPNP bound state | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ACP, ... | Authors: | Liang, K, Zhan, X, Wu, J, Yan, Z. | Deposit date: | 2024-01-10 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Conservation and specialization of the Ycf2-FtsHi chloroplast protein import motor in green algae. Cell, 2024
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8XQX
| Cryo-EM structure of the Ycf2-FtsHi motor complex from chlamydomonas reinhardtii in apo state | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ACP, ... | Authors: | Liang, K, Zhan, X, Wu, J, Yan, Z. | Deposit date: | 2024-01-05 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Conservation and specialization of the Ycf2-FtsHi chloroplast protein import motor in green algae. Cell, 2024
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8ERB
| Crystal structure of Fub7 in complex with vinylglycine ketimine | Descriptor: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, Sulfhydrylase FUB7 | Authors: | Hai, Y. | Deposit date: | 2022-10-11 | Release date: | 2023-10-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7. Angew.Chem.Int.Ed.Engl., 63, 2024
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8EQW
| Crystal structure of Fub7 | Descriptor: | Sulfhydrylase FUB7 | Authors: | Hai, Y. | Deposit date: | 2022-10-10 | Release date: | 2023-10-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7. Angew.Chem.Int.Ed.Engl., 63, 2024
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8ERJ
| Crystal structure of Fub7 in complex with E-2-aminocrotonate | Descriptor: | (2E)-2-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid, (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid, Sulfhydrylase FUB7 | Authors: | Hai, Y. | Deposit date: | 2022-10-12 | Release date: | 2023-10-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7. Angew.Chem.Int.Ed.Engl., 63, 2024
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6E8J
| Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Occupied Conformation | Descriptor: | Major facilitator family transporter | Authors: | Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y. | Deposit date: | 2018-07-30 | Release date: | 2019-08-14 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (3.091 Å) | Cite: | Crystal structure of a bacterial homolog to human lysosomal transporter, spinster Sci Bull (Beijing), 64, 2019
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