5B0E
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![BU of 5b0e by Molmil](/molmil-images/mine/5b0e) | Polyketide cyclase OAC from Cannabis sativa, V59M mutant | Descriptor: | GLYCEROL, Olivetolic acid cyclase | Authors: | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | Deposit date: | 2015-10-28 | Release date: | 2016-01-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa Febs J., 283, 2016
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5B0F
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![BU of 5b0f by Molmil](/molmil-images/mine/5b0f) | Polyketide cyclase OAC from Cannabis sativa, Y72F mutant | Descriptor: | GLYCEROL, Olivetolic acid cyclase | Authors: | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | Deposit date: | 2015-10-28 | Release date: | 2016-01-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa Febs J., 283, 2016
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5B0C
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![BU of 5b0c by Molmil](/molmil-images/mine/5b0c) | Polyketide cyclase OAC from Cannabis sativa, Y27F mutant | Descriptor: | Olivetolic acid cyclase | Authors: | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | Deposit date: | 2015-10-28 | Release date: | 2016-01-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa Febs J., 283, 2016
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3NTZ
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![BU of 3ntz by Molmil](/molmil-images/mine/3ntz) | Design, Synthesis, Biological Evaluation and X-ray Crystal Structures of Novel Classical 6,5,6-tricyclicbenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors | Descriptor: | Dihydrofolate reductase, N-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cody, V. | Deposit date: | 2010-07-06 | Release date: | 2011-05-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors. Bioorg.Med.Chem., 19, 2011
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3NU0
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![BU of 3nu0 by Molmil](/molmil-images/mine/3nu0) | Design, Synthesis, Biological Evaluation and X-ray Crystal Structure of Novel Classical 6,5,6-TricyclicBenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors | Descriptor: | (2S)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid, Dihydrofolate reducatase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cody, V. | Deposit date: | 2010-07-06 | Release date: | 2011-05-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors. Bioorg.Med.Chem., 19, 2011
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6BQS
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![BU of 6bqs by Molmil](/molmil-images/mine/6bqs) | HusA haemophore from Porphyromonas gingivalis | Descriptor: | hypothetical protein PG_2227 | Authors: | Gell, D.A, Kwan, A.H, Horne, J, Hugrass, B.M, Collins, D.A.T. | Deposit date: | 2017-11-28 | Release date: | 2018-10-10 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural properties of a haemophore facilitate targeted elimination of the pathogen Porphyromonas gingivalis. Nat Commun, 9, 2018
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6CRL
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![BU of 6crl by Molmil](/molmil-images/mine/6crl) | HusA haemophore from Porphyromonas gingivalis | Descriptor: | hypothetical protein PG_2227 | Authors: | Gell, D.A, Kwan, A.H, Horne, J, Hugrass, B.M, Collins, D.A.T. | Deposit date: | 2018-03-19 | Release date: | 2018-10-10 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural properties of a haemophore facilitate targeted elimination of the pathogen Porphyromonas gingivalis. Nat Commun, 9, 2018
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5GNU
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![BU of 5gnu by Molmil](/molmil-images/mine/5gnu) | the structure of mini-MFN1 apo | Descriptor: | Mitofusin-1 | Authors: | Yan, L, Yu, C, Ming, Z, Lou, Z, Rao, Z, Lou, J. | Deposit date: | 2016-07-25 | Release date: | 2016-11-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (4.113 Å) | Cite: | BDLP-like folding of Mitofusin 1 To Be Published
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4I8B
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![BU of 4i8b by Molmil](/molmil-images/mine/4i8b) | Crystal Structure of Thioredoxin from Schistosoma Japonicum | Descriptor: | Thioredoxin | Authors: | Wu, Q, Peng, Y, Zhao, J, Li, X, Fan, X, Zhou, X, Chen, J, Luo, Z, Shi, D. | Deposit date: | 2012-12-03 | Release date: | 2013-12-04 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Expression, characterization and crystal structure of thioredoxin from Schistosoma japonicum. Parasitology, 142, 2015
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5T2P
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![BU of 5t2p by Molmil](/molmil-images/mine/5t2p) | Hepatitis B virus core protein Y132A mutant in complex with sulfamoylbenzamide (SBA_R01) | Descriptor: | 4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{N}-[3,4,5-tris(fluoranyl)phenyl]benzamide, CHLORIDE ION, Core protein, ... | Authors: | Zhou, Z, Xu, Z.H. | Deposit date: | 2016-08-24 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.693 Å) | Cite: | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms. Sci Rep, 7, 2017
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6MO5
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![BU of 6mo5 by Molmil](/molmil-images/mine/6mo5) | Co-Crystal structure of P. aeruginosa LpxC-50228 complex | Descriptor: | MAGNESIUM ION, N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | Authors: | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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3R9W
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![BU of 3r9w by Molmil](/molmil-images/mine/3r9w) | |
6MOO
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![BU of 6moo by Molmil](/molmil-images/mine/6moo) | Co-Crystal structure of P. aeruginosa LpxC-achn975 complex | Descriptor: | N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6MZP
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![BU of 6mzp by Molmil](/molmil-images/mine/6mzp) | |
6MZN
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![BU of 6mzn by Molmil](/molmil-images/mine/6mzn) | |
3R9X
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![BU of 3r9x by Molmil](/molmil-images/mine/3r9x) | Crystal structure of Era in complex with MgGDPNP, nucleotides 1506-1542 of 16S ribosomal RNA, and KsgA | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, GTPase Era, ... | Authors: | Tu, C, Ji, X. | Deposit date: | 2011-03-26 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Era GTPase recognizes the GAUCACCUCC sequence and binds helix 45 near the 3' end of 16S rRNA. Proc.Natl.Acad.Sci.USA, 108, 2011
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6MO4
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![BU of 6mo4 by Molmil](/molmil-images/mine/6mo4) | Co-Crystal structure of P. aeruginosa LpxC-50067 complex | Descriptor: | MAGNESIUM ION, N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | Authors: | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.844 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6MOD
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![BU of 6mod by Molmil](/molmil-images/mine/6mod) | Co-Crystal structure of P. aeruginosa LpxC-50432 complex | Descriptor: | GLYCEROL, MAGNESIUM ION, N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, ... | Authors: | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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5WTW
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5WRE
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![BU of 5wre by Molmil](/molmil-images/mine/5wre) | Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01) | Descriptor: | (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | Authors: | Zhou, Z, Xu, Z.H. | Deposit date: | 2016-12-01 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.946 Å) | Cite: | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms. Sci Rep, 7, 2017
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3IEU
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![BU of 3ieu by Molmil](/molmil-images/mine/3ieu) | Crystal Structure of ERA in Complex with GDP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GTP-binding protein era, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Tu, C, Ji, X. | Deposit date: | 2009-07-23 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of ERA in complex with the 3' end of 16S rRNA: implications for ribosome biogenesis Proc.Natl.Acad.Sci.USA, 106, 2009
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3IEV
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![BU of 3iev by Molmil](/molmil-images/mine/3iev) | Crystal Structure of ERA in Complex with MgGNP and the 3' End of 16S rRNA | Descriptor: | 5'-R(P*AP*UP*CP*AP*CP*CP*UP*CP*CP*UP*UP*A)-3', GTP-binding protein era, MAGNESIUM ION, ... | Authors: | Tu, C, Ji, X. | Deposit date: | 2009-07-23 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of ERA in complex with the 3' end of 16S rRNA: implications for ribosome biogenesis Proc.Natl.Acad.Sci.USA, 106, 2009
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5YGI
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![BU of 5ygi by Molmil](/molmil-images/mine/5ygi) | |
8JO4
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![BU of 8jo4 by Molmil](/molmil-images/mine/8jo4) | Cryo-EM structure of a Legionella effector complexed with actin and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. | Deposit date: | 2023-06-07 | Release date: | 2024-05-01 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling. Nature, 631, 2024
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8JO3
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![BU of 8jo3 by Molmil](/molmil-images/mine/8jo3) | Cryo-EM structure of a Legionella effector complexed with actin and AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. | Deposit date: | 2023-06-07 | Release date: | 2024-05-01 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling. Nature, 631, 2024
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