7C8B
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![BU of 7c8b by Molmil](/molmil-images/mine/7c8b) | Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK | Descriptor: | 3C-like proteinase, CHLORIDE ION, Z-VAD(OMe)-FMK | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | Deposit date: | 2020-05-29 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK To Be Published
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7CX9
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![BU of 7cx9 by Molmil](/molmil-images/mine/7cx9) | Crystal structure of the SARS-CoV-2 main protease in complex with INZ-1 | Descriptor: | 3-iodanyl-1~{H}-indazole-7-carbaldehyde, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Zeng, R, Liu, X.L, Qiao, J.X, Nan, J.S, Wang, Y.F, Li, Y.S, Yang, S.Y, Lei, J. | Deposit date: | 2020-09-01 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of the SARS-CoV-2 main protease in complex with INZ-1 To Be Published
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7DHL
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![BU of 7dhl by Molmil](/molmil-images/mine/7dhl) | Crystal structure of FGFR3 in complex with pyrimidine derivative | Descriptor: | 5-[2-(3,5-dimethoxyphenyl)ethyl]-N-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine, Fibroblast growth factor receptor 3 | Authors: | Echizen, Y, Tateishi, Y, Amano, Y. | Deposit date: | 2020-11-16 | Release date: | 2021-02-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Synthesis and structure-activity relationships of pyrimidine derivatives as potent and orally active FGFR3 inhibitors with both increased systemic exposure and enhanced in vitro potency. Bioorg.Med.Chem., 33, 2021
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7X25
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![BU of 7x25 by Molmil](/molmil-images/mine/7x25) | MERS-CoV spike complex with S41 neutralizing antibody Fab Class4 (2u1d RBD with 3Fab) | Descriptor: | Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | Authors: | Zeng, J, Zhang, S, Zhou, H, Wang, X. | Deposit date: | 2022-02-25 | Release date: | 2023-01-18 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein. Front Microbiol, 13, 2022
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7D3I
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![BU of 7d3i by Molmil](/molmil-images/mine/7d3i) | Crystal structure of SARS-CoV-2 main protease in complex with MI-23 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase | Authors: | Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J. | Deposit date: | 2020-09-19 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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7B4D
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![BU of 7b4d by Molmil](/molmil-images/mine/7b4d) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C/S240R double mutant bound to DNA and MQ: R273C/S240R-DNA-MQ | Descriptor: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ... | Authors: | Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z. | Deposit date: | 2020-12-02 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
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7B4N
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![BU of 7b4n by Molmil](/molmil-images/mine/7b4n) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (II) | Descriptor: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ... | Authors: | Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z. | Deposit date: | 2020-12-02 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
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7B49
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![BU of 7b49 by Molmil](/molmil-images/mine/7b49) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273H mutant bound to DNA and MQ: R273H-DNA-MQ | Descriptor: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, 1,2-ETHANEDIOL, ... | Authors: | Rozenberg, H, Degtjarik, O, Shakked, Z. | Deposit date: | 2020-12-02 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
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7B4F
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![BU of 7b4f by Molmil](/molmil-images/mine/7b4f) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R282W mutant bound to DNA: R282W-MQ (I) | Descriptor: | Cellular tumor antigen p53, DNA target, FORMIC ACID, ... | Authors: | Rozenberg, H, Degtjarik, O, Shakked, Z. | Deposit date: | 2020-12-02 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
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3D06
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![BU of 3d06 by Molmil](/molmil-images/mine/3d06) | Human p53 core domain with hot spot mutation R249S (I) | Descriptor: | Cellular tumor antigen p53, ZINC ION | Authors: | Rozenberg, H, Suad, O, Shimon, L.J.W, Frolow, F, Shakked, Z. | Deposit date: | 2008-05-01 | Release date: | 2009-01-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural basis of restoring sequence-specific DNA binding and transactivation to mutant p53 by suppressor mutations J.Mol.Biol., 385, 2009
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3D09
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![BU of 3d09 by Molmil](/molmil-images/mine/3d09) | |
8CLV
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![BU of 8clv by Molmil](/molmil-images/mine/8clv) | |
8CLQ
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8CLN
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![BU of 8cln by Molmil](/molmil-images/mine/8cln) | Zearalenone lactonase from Streptomyces coelicoflavus, SeMet derivative for SAD phasing | Descriptor: | Hydrolase | Authors: | Puehringer, D, Grishkovskaya, I, Mlynek, G, Kostan, J. | Deposit date: | 2023-02-17 | Release date: | 2024-02-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone. Acs Catalysis, 14, 2024
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8CLO
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![BU of 8clo by Molmil](/molmil-images/mine/8clo) | Zearalenone lactonase from Streptomyces coelicoflavus | Descriptor: | 1,2-ETHANEDIOL, Hydrolase | Authors: | Puehringer, D, Grishkovskaya, I, Mlynek, G, Kostan, J. | Deposit date: | 2023-02-17 | Release date: | 2024-02-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone. Acs Catalysis, 14, 2024
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8CLT
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8CLU
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![BU of 8clu by Molmil](/molmil-images/mine/8clu) | Zearalenone lactonase from Rhodococcus erythropolis in complex with zearalactamenone | Descriptor: | (4~{S})-4-methyl-16,18-bis(oxidanyl)-3-azabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione, GLYCEROL, Zearalenone lactonase | Authors: | Puehringer, D. | Deposit date: | 2023-02-17 | Release date: | 2024-02-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone. Acs Catalysis, 14, 2024
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8CLP
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5X3E
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![BU of 5x3e by Molmil](/molmil-images/mine/5x3e) | kinesin 6 | Descriptor: | IODIDE ION, Kinesin-like protein, SULFATE ION | Authors: | Chen, Z, Guan, R, Zhang, L. | Deposit date: | 2017-02-04 | Release date: | 2017-04-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure of Zen4 in the apo state reveals a missing conformation of kinesin Nat Commun, 8, 2017
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1QVI
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![BU of 1qvi by Molmil](/molmil-images/mine/1qvi) | Crystal structure of scallop myosin S1 in the pre-power stroke state to 2.6 Angstrom resolution: flexibility and function in the head | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Gourinath, S, Himmel, D.M, Brown, J.H, Reshetnikova, L, Szent-Gyrgyi, A.G, Cohen, C. | Deposit date: | 2003-08-27 | Release date: | 2003-12-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Crystal structure of scallop Myosin s1 in the pre-power stroke state to 2.6 a resolution: flexibility and function in the head. Structure, 11, 2003
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4V4D
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![BU of 4v4d by Molmil](/molmil-images/mine/4v4d) | Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici complexed with pyrogallol | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, BENZENE-1,2,3-TRIOL, CALCIUM ION, ... | Authors: | Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H. | Deposit date: | 2004-06-02 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols PROC.NATL.ACAD.SCI.USA, 101, 2004
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5AOL
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3K99
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![BU of 3k99 by Molmil](/molmil-images/mine/3k99) | HSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol | Descriptor: | 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | Authors: | Gajiwala, K.S, Davies II, J.F. | Deposit date: | 2009-10-15 | Release date: | 2010-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone. J.Med.Chem., 53, 2010
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5J71
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![BU of 5j71 by Molmil](/molmil-images/mine/5j71) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS35 | Descriptor: | 4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ... | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T. | Deposit date: | 2016-04-05 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors. J. Med. Chem., 60, 2017
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6VUF
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![BU of 6vuf by Molmil](/molmil-images/mine/6vuf) | |