6H3R
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8WR2
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![BU of 8wr2 by Molmil](/molmil-images/mine/8wr2) | Crystal Structure of Human Pyridoxal Kinase with bound Luteolin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DIMETHYL SULFOXIDE, ... | Authors: | Fan, J, Zhu, Y. | Deposit date: | 2023-10-12 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery and characterization of natural product luteolin as an effective inhibitor of human pyridoxal kinase. Bioorg.Chem., 143, 2024
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7E3L
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![BU of 7e3l by Molmil](/molmil-images/mine/7e3l) | Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ... | Authors: | Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H. | Deposit date: | 2021-02-09 | Release date: | 2021-09-15 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants. Nat Commun, 12, 2021
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7E3K
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![BU of 7e3k by Molmil](/molmil-images/mine/7e3k) | Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants | Descriptor: | 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H. | Deposit date: | 2021-02-09 | Release date: | 2021-09-15 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants. Nat Commun, 12, 2021
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4DQN
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4EQ8
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![BU of 4eq8 by Molmil](/molmil-images/mine/4eq8) | Crystal structure of PA1844 from Pseudomonas aeruginosa PAO1 | Descriptor: | GLYCEROL, Putative uncharacterized protein | Authors: | Shang, G, Li, N, Zhang, J, Lu, D, Yu, Q, Zhao, Y, Liu, X, Xu, S, Gu, L. | Deposit date: | 2012-04-18 | Release date: | 2012-09-12 | Last modified: | 2013-07-24 | Method: | X-RAY DIFFRACTION (1.392 Å) | Cite: | Structural insight into how Pseudomonas aeruginosa peptidoglycanhydrolase Tse1 and its immunity protein Tsi1 function. Biochem.J., 448, 2012
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4EQA
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![BU of 4eqa by Molmil](/molmil-images/mine/4eqa) | Crystal structure of PA1844 in complex with PA1845 from Pseudomonas aeruginosa PAO1 | Descriptor: | Putative uncharacterized protein | Authors: | Shang, G, Li, N, Zhang, J, Lu, D, Yu, Q, Zhao, Y, Liu, X, Xu, S, Gu, L. | Deposit date: | 2012-04-18 | Release date: | 2012-09-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insight into how Pseudomonas aeruginosa peptidoglycanhydrolase Tse1 and its immunity protein Tsi1 function. Biochem.J., 448, 2012
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4F2L
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![BU of 4f2l by Molmil](/molmil-images/mine/4f2l) | Structure of a regulatory domain of AMPK | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, MAGNESIUM ION | Authors: | Xin, F.J, Zhang, Y.Y, Wang, J, Wang, Z.X, Wu, J.W. | Deposit date: | 2012-05-08 | Release date: | 2013-06-26 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conserved regulatory elements in AMPK Nature, 498, 2013
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6LW2
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![BU of 6lw2 by Molmil](/molmil-images/mine/6lw2) | The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase | Descriptor: | 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1 | Authors: | Wang, X.Y, Zhou, J, Xu, B.L. | Deposit date: | 2020-02-07 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis. J.Med.Chem., 63, 2020
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5GNT
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![BU of 5gnt by Molmil](/molmil-images/mine/5gnt) | BDLP-like folding of Mitofusin 1 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Mitofusin-1 | Authors: | Yan, L, Yu, C, Ming, Z, Rao, Z, Lou, Z, Hu, J. | Deposit date: | 2016-07-24 | Release date: | 2016-11-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.665 Å) | Cite: | the structure of mini-MFN1 in complex with GDP To Be Published
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6EW6
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![BU of 6ew6 by Molmil](/molmil-images/mine/6ew6) | Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand | Descriptor: | B-cell lymphoma 6 protein, ~{N}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | Deposit date: | 2017-11-03 | Release date: | 2018-10-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6. ACS Chem. Biol., 13, 2018
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6EW8
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6EW7
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8YE4
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![BU of 8ye4 by Molmil](/molmil-images/mine/8ye4) | The complex of TCR NYN-I and HLA-A24 bound to SARS-CoV-2 Spike448-456 peptide NYNYLYRLF | Descriptor: | Beta-2-microglobulin, MHC class I antigen precusor, Spike protein S1, ... | Authors: | Deng, S.S, Jin, T.C, Xu, Z.H, Wang, M.H. | Deposit date: | 2024-02-21 | Release date: | 2024-08-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into immune escape at killer T cell epitope by SARS-CoV-2 Spike Y453F variants. J.Biol.Chem., 300, 2024
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8ZV9
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![BU of 8zv9 by Molmil](/molmil-images/mine/8zv9) | Complex structure of HLA2402 with recognizing SARS-CoV-2 Y453F epitope NYNYLFRLF | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, MHC class I antigen, ... | Authors: | Deng, S.S, Jin, T.C, Xu, Z.H, Wang, M.H. | Deposit date: | 2024-06-11 | Release date: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insights into immune escape at killer T cell epitope by SARS-CoV-2 Spike Y453F variants. J.Biol.Chem., 300, 2024
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2AI6
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1Z6H
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![BU of 1z6h by Molmil](/molmil-images/mine/1z6h) | Solution Structure of Bacillus subtilis BLAP biotinylated-form | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, Biotin/Lipoyl Attachment Protein | Authors: | Cui, G, Xia, B. | Deposit date: | 2005-03-22 | Release date: | 2006-03-22 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Identification and solution structures of a single domain biotin/lipoyl attachment protein from Bacillus subtilis J.Biol.Chem., 281, 2006
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7EVJ
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![BU of 7evj by Molmil](/molmil-images/mine/7evj) | Crystal structure of CBP bromodomain liganded with 9c | Descriptor: | 3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate, CREB-binding protein, GLYCEROL, ... | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | Deposit date: | 2021-05-21 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer. J.Med.Chem., 65, 2022
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8IYJ
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![BU of 8iyj by Molmil](/molmil-images/mine/8iyj) | Cryo-EM structure of the 48-nm repeat doublet microtubule from mouse sperm | Descriptor: | Cilia and flagella-associated protein 77, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ... | Authors: | Zhou, L.N, Gui, M, Wu, J.P. | Deposit date: | 2023-04-05 | Release date: | 2023-07-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures of sperm flagellar doublet microtubules expand the genetic spectrum of male infertility. Cell, 186, 2023
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4KNR
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![BU of 4knr by Molmil](/molmil-images/mine/4knr) | Hin GlmU bound to WG188 | Descriptor: | Bifunctional protein GlmU, MAGNESIUM ION, N-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide, ... | Authors: | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | Deposit date: | 2013-05-10 | Release date: | 2014-10-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping. Bioorg.Med.Chem., 22, 2014
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4KPZ
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![BU of 4kpz by Molmil](/molmil-images/mine/4kpz) | Hin GlmU bound to a small molecule fragment | Descriptor: | 1-(3-nitrophenyl)dihydropyrimidine-2,4(1H,3H)-dione, Bifunctional protein GlmU, MAGNESIUM ION, ... | Authors: | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | Deposit date: | 2013-05-14 | Release date: | 2014-10-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping. Bioorg.Med.Chem., 22, 2014
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4KQL
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![BU of 4kql by Molmil](/molmil-images/mine/4kql) | Hin GlmU bound to WG578 | Descriptor: | Bifunctional protein GlmU, MAGNESIUM ION, N-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide, ... | Authors: | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | Deposit date: | 2013-05-15 | Release date: | 2014-10-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping. Bioorg.Med.Chem., 22, 2014
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7YRD
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![BU of 7yrd by Molmil](/molmil-images/mine/7yrd) | histone methyltransferase | Descriptor: | DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ... | Authors: | Li, H, Wang, W.Y. | Deposit date: | 2022-08-09 | Release date: | 2023-08-16 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1. Mol.Cell, 83, 2023
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7YRG
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![BU of 7yrg by Molmil](/molmil-images/mine/7yrg) | histone methyltransferase | Descriptor: | DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ... | Authors: | Li, H, Wang, W.Y. | Deposit date: | 2022-08-09 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1. Mol.Cell, 83, 2023
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7E2R
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![BU of 7e2r by Molmil](/molmil-images/mine/7e2r) | The ligand-free structure of Arabidopsis thaliana GUN4 | Descriptor: | Tetrapyrrole-binding protein, chloroplastic | Authors: | Liu, L, Hu, J. | Deposit date: | 2021-02-07 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of bilin binding by the chlorophyll biosynthesis regulator GUN4. Protein Sci., 30, 2021
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