7XUQ
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![BU of 7xuq by Molmil](/molmil-images/mine/7xuq) | Crystal structure of Tpe3.0 complexed with N-Boc-3-alkenylindole | Descriptor: | Transcriptional regulator, PadR-like family, dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate | Authors: | Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z. | Deposit date: | 2022-05-19 | Release date: | 2022-09-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Enantioselective [2+2]-cycloadditions with triplet photoenzymes. Nature, 611, 2022
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7MEW
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![BU of 7mew by Molmil](/molmil-images/mine/7mew) | E. coli MsbA in complex with G247 | Descriptor: | (2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid, ATP-dependent lipid A-core flippase | Authors: | Thelot, F, Liao, M. | Deposit date: | 2021-04-08 | Release date: | 2021-10-06 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Distinct allosteric mechanisms of first-generation MsbA inhibitors. Science, 374, 2021
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3OSV
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![BU of 3osv by Molmil](/molmil-images/mine/3osv) | The crytsal structure of FLGD from P. Aeruginosa | Descriptor: | Flagellar basal-body rod modification protein FlgD, GLYCEROL | Authors: | Wang, D, Luo, M, Niu, S. | Deposit date: | 2010-09-10 | Release date: | 2011-05-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of a novel dimer form of FlgD from P. aeruginosa PAO1 Proteins, 79, 2011
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7XZ4
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7YGI
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![BU of 7ygi by Molmil](/molmil-images/mine/7ygi) | Crystal structure of p53 DBD domain in complex with azurin | Descriptor: | Azurin, Cellular tumor antigen p53, PHOSPHATE ION, ... | Authors: | Jiang, W.X, Zuo, J.Q, Hu, J.J, Chen, X.Q, Ma, L.X, Liu, Z, Xing, Q. | Deposit date: | 2022-07-11 | Release date: | 2023-02-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of bacterial effector protein azurin targeting tumor suppressor p53 and inhibiting its ubiquitination. Commun Biol, 6, 2023
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5EJ9
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![BU of 5ej9 by Molmil](/molmil-images/mine/5ej9) | EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 2 min and isochorismate for 13 min | Descriptor: | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, FORMIC ACID, GLYCEROL, ... | Authors: | Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. | Deposit date: | 2015-11-01 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis J.Am.Chem.Soc., 138, 2016
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8EWI
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![BU of 8ewi by Molmil](/molmil-images/mine/8ewi) | Structure of the human UBR5 HECT-type E3 ubiquitin ligase in a tetrameric form | Descriptor: | E3 ubiquitin-protein ligase UBR5, ZINC ION | Authors: | Wang, F, He, Q, Lin, G, Li, H. | Deposit date: | 2022-10-23 | Release date: | 2023-04-19 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of the human UBR5 E3 ubiquitin ligase. Structure, 31, 2023
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5EJ7
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![BU of 5ej7 by Molmil](/molmil-images/mine/5ej7) | EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 21 s | Descriptor: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, GLYCEROL, ... | Authors: | Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. | Deposit date: | 2015-11-01 | Release date: | 2016-06-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis J.Am.Chem.Soc., 138, 2016
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5EJ5
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![BU of 5ej5 by Molmil](/molmil-images/mine/5ej5) | EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 1.5 h | Descriptor: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, GLYCEROL, ... | Authors: | Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. | Deposit date: | 2015-11-01 | Release date: | 2016-06-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis J.Am.Chem.Soc., 138, 2016
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3N9O
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![BU of 3n9o by Molmil](/molmil-images/mine/3n9o) | ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K9me2 peptide and NOG | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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8UPV
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![BU of 8upv by Molmil](/molmil-images/mine/8upv) | Structure of SARS-Cov2 3CLPro in complex with Compound 33 | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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5EJA
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![BU of 5eja by Molmil](/molmil-images/mine/5eja) | EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 2 min and soaked with isochorismate for 7 min | Descriptor: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, GLYCEROL, ... | Authors: | Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. | Deposit date: | 2015-11-01 | Release date: | 2016-06-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis J.Am.Chem.Soc., 138, 2016
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8UPS
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![BU of 8ups by Molmil](/molmil-images/mine/8ups) | Structure of SARS-Cov2 3CLPro in complex with Compound 5 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION | Authors: | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UPW
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![BU of 8upw by Molmil](/molmil-images/mine/8upw) | Structure of SARS-Cov2 3CLPro in complex with Compound 34 | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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7CMK
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![BU of 7cmk by Molmil](/molmil-images/mine/7cmk) | E30 E-particle in complex with 6C5 | Descriptor: | Heavy chain, Light chain, VP1, ... | Authors: | Wang, K, Zhu, F, Rao, Z, Wang, X. | Deposit date: | 2020-07-27 | Release date: | 2020-08-12 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B. Nat Commun, 11, 2020
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7C80
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![BU of 7c80 by Molmil](/molmil-images/mine/7c80) | E30 F-particle in complex with 4B10 | Descriptor: | Heavy chain, Light chain, SPHINGOSINE, ... | Authors: | Wang, K, Zheng, B, Zhang, L, Cui, L, Su, X, Zhang, Q, Guo, Y, Zhu, L, Zhu, F, Rao, Z, Wang, X. | Deposit date: | 2020-05-28 | Release date: | 2020-07-29 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B. Nat Commun, 11, 2020
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3VTR
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![BU of 3vtr by Molmil](/molmil-images/mine/3vtr) | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 E328A complexed with TMG-chitotriomycin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosaminidase | Authors: | Liu, T, Zhou, Y, Chen, L, Chen, W, Liu, L, Shen, X, Yang, Q. | Deposit date: | 2012-06-02 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into cellulolytic and chitinolytic enzymes revealing crucial residues of insect beta-N-acetyl-D-hexosaminidase Plos One, 7, 2012
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1HNV
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![BU of 1hnv by Molmil](/molmil-images/mine/1hnv) | STRUCTURE OF HIV-1 RT(SLASH)TIBO R 86183 COMPLEX REVEALS SIMILARITY IN THE BINDING OF DIVERSE NONNUCLEOSIDE INHIBITORS | Descriptor: | 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P51), HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P66) | Authors: | Das, K, Ding, J, Arnold, E. | Deposit date: | 1995-03-30 | Release date: | 1995-07-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of HIV-1 RT/TIBO R 86183 complex reveals similarity in the binding of diverse nonnucleoside inhibitors. Nat.Struct.Biol., 2, 1995
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4FZP
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4FZO
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![BU of 4fzo by Molmil](/molmil-images/mine/4fzo) | |
1GFW
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4BJ4
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![BU of 4bj4 by Molmil](/molmil-images/mine/4bj4) | Structure of Pseudomonas aeruginosa amidase Ampdh2 | Descriptor: | AMPDH2, CITRATE ANION | Authors: | Martinez-Caballero, C.S, Carrasco-Lopez, C, Artola-Recolons, C, Hermoso, J.A. | Deposit date: | 2013-04-16 | Release date: | 2013-07-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.722 Å) | Cite: | Reaction Products and the X-Ray Structure of Ampdh2, a Virulence Determinant of Pseudomonas Aeruginosa. J.Am.Chem.Soc., 135, 2013
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7X1N
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![BU of 7x1n by Molmil](/molmil-images/mine/7x1n) | Crystal structure of MEF2D-MRE complex | Descriptor: | DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*G)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), Myocyte enhancer factor 2D/deleted in azoospermia associated protein 1 fusion protein | Authors: | Zhang, H, Zhang, M, Wang, Q.Q, Chen, Z, Chen, S.J, Meng, G. | Deposit date: | 2022-02-24 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.315 Å) | Cite: | Functional, structural, and molecular characterizations of the leukemogenic driver MEF2D-HNRNPUL1 fusion. Blood, 140, 2022
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4AWQ
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![BU of 4awq by Molmil](/molmil-images/mine/4awq) | Complex of HSP90 ATPase domain with tropane derived inhibitors | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide | Authors: | Lougheed, J.C, Stout, T.J. | Deposit date: | 2012-06-05 | Release date: | 2012-08-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
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4AWO
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![BU of 4awo by Molmil](/molmil-images/mine/4awo) | Complex of HSP90 ATPase domain with tropane derived inhibitors | Descriptor: | 5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Lougheed, J.C, Stout, T.J. | Deposit date: | 2012-06-05 | Release date: | 2012-08-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
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