8FG7
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6F4T
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![BU of 6f4t by Molmil](/molmil-images/mine/6f4t) | Human JMJD5 (W414C) in complex with Mn(II), NOG and RCCD1 (139-143) (complex-5) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, JmjC domain-containing protein 5, ... | 著者 | Chowdhury, R, Islam, M.S, Schofield, C.J. | 登録日 | 2017-11-30 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | JMJD5 is a human arginyl C-3 hydroxylase. Nat Commun, 9, 2018
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7O28
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![BU of 7o28 by Molmil](/molmil-images/mine/7o28) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 19 (ADO_AE_009) | 分子名称: | 9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | 著者 | Bedi, R.K, Dolbois, A, Caflisch, A. | 登録日 | 2021-03-30 | 公開日 | 2021-09-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Crystal structure of the human METTL3-METTL14 complex bound to Compound 19 (ADO_AE_009) To Be Published
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4MJO
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![BU of 4mjo by Molmil](/molmil-images/mine/4mjo) | Human liver fructose-1,6-bisphosphatase(d-fructose-1,6-bisphosphate, 1-phosphohydrolase) (e.c.3.1.3.11) complexed with the allosteric inhibitor 3 | 分子名称: | Fructose-1,6-bisphosphatase 1, N-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide | 著者 | Ruf, A, Joseph, C, Tetaz, T, Benz, J. | 登録日 | 2013-09-04 | 公開日 | 2013-11-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Determination of protein-ligand binding constants of a cooperatively regulated tetrameric enzyme using electrospray mass spectrometry. Acs Chem.Biol., 9, 2014
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7O0P
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![BU of 7o0p by Molmil](/molmil-images/mine/7o0p) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 10 (ADO_AD_022) | 分子名称: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | 著者 | Bedi, R.K, Dolbois, A, Caflisch, A. | 登録日 | 2021-03-26 | 公開日 | 2021-09-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of the human METTL3-METTL14 complex bound to Compound 10 (ADO_AD_022) To Be Published
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6F5W
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![BU of 6f5w by Molmil](/molmil-images/mine/6f5w) | Photorhabdus asymbiotica lectin (PHL) in complex with propargyl-fucoside | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, SODIUM ION, ... | 著者 | Houser, J, Jancarikova, G, Wimmerova, M, Csavas, M, Borbas, A, Herczeg, M, Fujdiarova, E, Kover, E.K. | 登録日 | 2017-12-04 | 公開日 | 2018-01-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Synthesis of alpha-l-Fucopyranoside-Presenting Glycoclusters and Investigation of Their Interaction with Photorhabdus asymbiotica Lectin (PHL). Chemistry, 24, 2018
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8FG5
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![BU of 8fg5 by Molmil](/molmil-images/mine/8fg5) | Apo mouse acidic mammalian chitinase, catalytic domain at 100 K | 分子名称: | Acidic mammalian chitinase, MAGNESIUM ION | 著者 | Diaz, R.E, Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | 登録日 | 2022-12-12 | 公開日 | 2023-03-01 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase. Biorxiv, 2024
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8RYK
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8FIU
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![BU of 8fiu by Molmil](/molmil-images/mine/8fiu) | Potent long-acting inhibitors targeting HIV-1 capsid based on a versatile quinazolin-4-one scaffold | 分子名称: | 1,2-ETHANEDIOL, HIV-1 capsid, N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | 著者 | Nolte, R.T. | 登録日 | 2022-12-16 | 公開日 | 2023-02-15 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Potent Long-Acting Inhibitors Targeting the HIV-1 Capsid Based on a Versatile Quinazolin-4-one Scaffold. J.Med.Chem., 66, 2023
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7NVK
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![BU of 7nvk by Molmil](/molmil-images/mine/7nvk) | Crystal structure of UBA5 fragment fused to the N-terminus of UFC1 | 分子名称: | Ubiquitin-like modifier-activating enzyme 5,Ubiquitin-fold modifier-conjugating enzyme 1 | 著者 | Manoj Kumar, P, Padala, P, Isupov, M.N, Wiener, R. | 登録日 | 2021-03-15 | 公開日 | 2021-09-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.651 Å) | 主引用文献 | Structural basis for UFM1 transfer from UBA5 to UFC1. Nat Commun, 12, 2021
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8G0E
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![BU of 8g0e by Molmil](/molmil-images/mine/8g0e) | Cryo-EM structure of TBAJ-876-bound Mycobacterium smegmatis ATP synthase rotational state 3 | 分子名称: | (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | 著者 | Courbon, G.M, Rubinstein, J.L. | 登録日 | 2023-01-31 | 公開日 | 2023-02-15 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Mechanism of mycobacterial ATP synthase inhibition by squaramides and second generation diarylquinolines. Embo J., 42, 2023
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6F88
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8G0C
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![BU of 8g0c by Molmil](/molmil-images/mine/8g0c) | Cryo-EM structure of TBAJ-876-bound Mycobacterium smegmatis ATP synthase rotational state 1 (backbone model) | 分子名称: | (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | 著者 | Courbon, G.M, Rubinstein, J.L. | 登録日 | 2023-01-31 | 公開日 | 2023-02-15 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Mechanism of mycobacterial ATP synthase inhibition by squaramides and second generation diarylquinolines. Embo J., 42, 2023
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6F9C
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8RZB
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![BU of 8rzb by Molmil](/molmil-images/mine/8rzb) | IL-1beta in complex with covalent DEL hit | 分子名称: | 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta | 著者 | Rondeau, J.-M, Lehmann, S. | 登録日 | 2024-02-12 | 公開日 | 2024-05-22 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.836 Å) | 主引用文献 | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches. J.Med.Chem., 67, 2024
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8RS9
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![BU of 8rs9 by Molmil](/molmil-images/mine/8rs9) | p97 (VCP) double mutant - F266A F539A | 分子名称: | Transitional endoplasmic reticulum ATPase | 著者 | Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A. | 登録日 | 2024-01-24 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | p97 (VCP) double mutant - F266A F539A To Be Published
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8G0D
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![BU of 8g0d by Molmil](/molmil-images/mine/8g0d) | Cryo-EM structure of TBAJ-876-bound Mycobacterium smegmatis ATP synthase rotational state 2 (backbone model) | 分子名称: | (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | 著者 | Courbon, G.M, Rubinstein, J.L. | 登録日 | 2023-01-31 | 公開日 | 2023-02-15 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Mechanism of mycobacterial ATP synthase inhibition by squaramides and second generation diarylquinolines. Embo J., 42, 2023
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8FRC
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4LCB
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![BU of 4lcb by Molmil](/molmil-images/mine/4lcb) | Structure of Vps4 homolog from Acidianus hospitalis | 分子名称: | CHLORIDE ION, Cell division protein CdvC, Vps4 | 著者 | Han, H, Hill, C.P, Whitby, F.G, Monroe, N. | 登録日 | 2013-06-21 | 公開日 | 2013-11-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | The Oligomeric State of the Active Vps4 AAA ATPase. J.Mol.Biol., 426, 2014
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6EW9
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![BU of 6ew9 by Molmil](/molmil-images/mine/6ew9) | CRYSTAL STRUCTURE OF DEGS STRESS SENSOR PROTEASE IN COMPLEX WITH ACTIVATING DNRLGLVYQF PEPTIDE | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, DNRLGLVYQF PEPTIDE, ... | 著者 | Vetter, I.R, Porfetye, A.T, Stege, P. | 登録日 | 2017-11-03 | 公開日 | 2018-04-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identification of Noncatalytic Lysine Residues from Allosteric Circuits via Covalent Probes. ACS Chem. Biol., 13, 2018
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8FFD
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![BU of 8ffd by Molmil](/molmil-images/mine/8ffd) | Crystal structure of manganeese bound Dps protein (PA0962) from Pseudomonas aeruginosa (cubic form) | 分子名称: | L(+)-TARTARIC ACID, MANGANESE (II) ION, Probable dna-binding stress protein | 著者 | Lovell, S, Seibold, S, Battaile, K.P, Rivera, M. | 登録日 | 2022-12-08 | 公開日 | 2023-03-08 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Pseudomonas aeruginosa Dps (PA0962) Functions in H 2 O 2 Mediated Oxidative Stress Defense and Exhibits In Vitro DNA Cleaving Activity. Int J Mol Sci, 24, 2023
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4KVD
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![BU of 4kvd by Molmil](/molmil-images/mine/4kvd) | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolin-1-ium | 分子名称: | (1R,4aS,7S,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium, Aristolochene synthase, GLYCEROL, ... | 著者 | Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W. | 登録日 | 2013-05-22 | 公開日 | 2013-08-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
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8G0A
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4KVX
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8FUB
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![BU of 8fub by Molmil](/molmil-images/mine/8fub) | Crystal structure of human Importin alpha 3 in complex with Hendra virus matrix protein NLS1 | 分子名称: | Importin subunit alpha-3, Matrix protein | 著者 | Donnelly, C.M, Basler, C.F, Scott, C, Forwood, J.K. | 登録日 | 2023-01-17 | 公開日 | 2023-02-15 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Henipavirus Matrix Protein Employs a Non-Classical Nuclear Localization Signal Binding Mechanism. Viruses, 15, 2023
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