7EN3
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![BU of 7en3 by Molmil](/molmil-images/mine/7en3) | Crystal structure of tubulin in complex with Tubulysin analogue TGL | Descriptor: | (2S,4R)-5-(4-fluorophenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[5-methylhexyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Li, W. | Deposit date: | 2021-04-15 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.643 Å) | Cite: | The X-ray structure of tubulysin analogue TGL in complex with tubulin and three possible routes for the development of next-generation tubulysin analogues. Biochem.Biophys.Res.Commun., 565, 2021
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5Y8C
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![BU of 5y8c by Molmil](/molmil-images/mine/5y8c) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-21 | Release date: | 2018-06-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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7EL7
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![BU of 7el7 by Molmil](/molmil-images/mine/7el7) | NMR solution structure of the 1:1 complex of a quadruplex-duplex hybrid MYT1L and a platinum(II) ligand L1Pt(dien) | Descriptor: | G-quadruplex DNA MYT1L, Pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) | Authors: | Liu, L.-Y, Liu, W, Mao, Z.-W. | Deposit date: | 2021-04-08 | Release date: | 2021-12-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Spatial Matching Selectivity and Solution Structure of Organic-Metal Hybrid to Quadruplex-Duplex Hybrid. Angew.Chem.Int.Ed.Engl., 60, 2021
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5WIN
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![BU of 5win by Molmil](/molmil-images/mine/5win) | JAK2 Pseudokinase in complex with JNJ7706621 | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Li, Q, Eck, M.J, Li, K, Park, E. | Deposit date: | 2017-07-19 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
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7DAF
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![BU of 7daf by Molmil](/molmil-images/mine/7daf) | IXA in complex with tubulin | Descriptor: | (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wu, C, Wang, Y. | Deposit date: | 2020-10-16 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design. Biochem.Biophys.Res.Commun., 534, 2021
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7DAD
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![BU of 7dad by Molmil](/molmil-images/mine/7dad) | EPD in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wang, Y, Wu, C. | Deposit date: | 2020-10-16 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design. Biochem.Biophys.Res.Commun., 534, 2021
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7DAE
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![BU of 7dae by Molmil](/molmil-images/mine/7dae) | EPB in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE, CALCIUM ION, ... | Authors: | Wu, C, Wang, Y. | Deposit date: | 2020-10-16 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.394 Å) | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design. Biochem.Biophys.Res.Commun., 534, 2021
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7D14
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![BU of 7d14 by Molmil](/molmil-images/mine/7d14) | Mouse KCC2 | Descriptor: | Solute carrier family 12 member 5 | Authors: | Zhang, S, Yang, M. | Deposit date: | 2020-09-13 | Release date: | 2021-04-14 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The structural basis of function and regulation of neuronal cotransporters NKCC1 and KCC2. Commun Biol, 4, 2021
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7D10
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![BU of 7d10 by Molmil](/molmil-images/mine/7d10) | Human NKCC1 | Descriptor: | PALMITIC ACID, Solute carrier family 12 member 2 | Authors: | Zhang, S, Yang, M. | Deposit date: | 2020-09-12 | Release date: | 2021-04-14 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | The structural basis of function and regulation of neuronal cotransporters NKCC1 and KCC2. Commun Biol, 4, 2021
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7DD1
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![BU of 7dd1 by Molmil](/molmil-images/mine/7dd1) | |
7DPM
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![BU of 7dpm by Molmil](/molmil-images/mine/7dpm) | Crystal structure of SARS-CoV-2 Spike RBD in complex with MW06 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ... | Authors: | Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M. | Deposit date: | 2020-12-20 | Release date: | 2021-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.304 Å) | Cite: | Characterization of MW06, a human monoclonal antibody with cross-neutralization activity against both SARS-CoV-2 and SARS-CoV. Mabs, 13, 2021
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7E1Q
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![BU of 7e1q by Molmil](/molmil-images/mine/7e1q) | Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori | Descriptor: | 2-nitropropane dioxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Zhou, J.S, Zhang, L, Zhang, L. | Deposit date: | 2021-02-03 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis. Nat Commun, 12, 2021
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7E1R
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![BU of 7e1r by Molmil](/molmil-images/mine/7e1r) | Crystal structure of Dehydrogenase/isomerase FabX from Helicobacter pylori in complex with holo-ACP | Descriptor: | 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ... | Authors: | Zhou, J.S, Zhang, L, Zhang, L. | Deposit date: | 2021-02-03 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.795 Å) | Cite: | Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis. Nat Commun, 12, 2021
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7E1S
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![BU of 7e1s by Molmil](/molmil-images/mine/7e1s) | Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with octanoyl-ACP | Descriptor: | 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ... | Authors: | Zhou, J.S, Zhang, L, Zhang, L. | Deposit date: | 2021-02-03 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis. Nat Commun, 12, 2021
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7DTR
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![BU of 7dtr by Molmil](/molmil-images/mine/7dtr) | Structure of an AcrIF protein | Descriptor: | AcrIF24 | Authors: | Yue, F, Peipei, Y. | Deposit date: | 2021-01-06 | Release date: | 2022-01-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24. Nat Commun, 13, 2022
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5WLP
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![BU of 5wlp by Molmil](/molmil-images/mine/5wlp) | |
5WJ1
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![BU of 5wj1 by Molmil](/molmil-images/mine/5wj1) | Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a triazolopyrimidine herbicide, penoxsulam | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, Acetolactate synthase, ... | Authors: | Garcia, M.D, Lonhienne, T, Guddat, L.W. | Deposit date: | 2017-07-21 | Release date: | 2018-02-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.522 Å) | Cite: | Structural insights into the mechanism of inhibition of AHAS by herbicides. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5WI4
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![BU of 5wi4 by Molmil](/molmil-images/mine/5wi4) | CRYSTAL STRUCTURE OF DYNLT1/TCTEX-1 IN COMPLEX WITH ARHGEF2 | Descriptor: | Dynein light chain Tctex-type 1,Rho guanine nucleotide exchange factor 2, SULFATE ION | Authors: | Balan, M, Ishiyama, N, Marshall, C.B, Ikura, M. | Deposit date: | 2017-07-18 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | MARK3-mediated phosphorylation of ARHGEF2 couples microtubules to the actin cytoskeleton to establish cell polarity. Sci Signal, 10, 2017
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7BBT
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![BU of 7bbt by Molmil](/molmil-images/mine/7bbt) | Structure of cytochrome c in complex with a p-benzyl-sulfonato-calix[8]arene-PEG pseudorotaxane | Descriptor: | 4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate, Cytochrome c iso-1, HEME C, ... | Authors: | Mockler, N.M, Ramberg, K, Guagnini, F, Raston, C.L, Crowley, P.B. | Deposit date: | 2020-12-18 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.023 Å) | Cite: | Noncovalent Protein-Pseudorotaxane Assembly Incorporating an Extended Arm Calix[8]arene with alpha-Helical Recognition Properties. Cryst.Growth Des., 21, 2021
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7ESC
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![BU of 7esc by Molmil](/molmil-images/mine/7esc) | FmnB complexed with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION | Authors: | Cheng, W, Zheng, Y.H. | Deposit date: | 2021-05-10 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes. MedComm (2020), 3, 2022
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7ESA
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![BU of 7esa by Molmil](/molmil-images/mine/7esa) | the complex structure of flavin transferase FmnB complexed with FAD | Descriptor: | FAD:protein FMN transferase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION | Authors: | Zheng, Y.H, Cheng, W. | Deposit date: | 2021-05-09 | Release date: | 2021-11-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes. MedComm (2020), 3, 2022
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7ESB
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![BU of 7esb by Molmil](/molmil-images/mine/7esb) | FmnB complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION | Authors: | Zheng, Y.H, Cheng, W. | Deposit date: | 2021-05-09 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes. MedComm (2020), 3, 2022
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7F39
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![BU of 7f39 by Molmil](/molmil-images/mine/7f39) | The structure of flavin transferase FmnB | Descriptor: | FAD:protein FMN transferase | Authors: | Cheng, W, Zheng, Y.H. | Deposit date: | 2021-06-15 | Release date: | 2021-11-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.888 Å) | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes. MedComm (2020), 3, 2022
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7F2U
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![BU of 7f2u by Molmil](/molmil-images/mine/7f2u) | FmnB complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION | Authors: | Cheng, W, Zheng, Y.H. | Deposit date: | 2021-06-14 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes. MedComm (2020), 3, 2022
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7EOK
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![BU of 7eok by Molmil](/molmil-images/mine/7eok) | Crystal structure of the Pepper aptamer in complex with HBC485 | Descriptor: | 4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2021-04-22 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based investigation of fluorogenic Pepper aptamer. Nat.Chem.Biol., 17, 2021
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