8WQ7
 
 | | Crystal structure of d(CGTATACG)2 with a four-carbon linker containing diacridine compound | | Descriptor: | DNA (5'-D(P*CP*GP*TP*AP*TP*AP*CP*G)-3'), MANGANESE (II) ION, N,N'-di(acridin-9-yl)butane-1,4-diamine | | Authors: | Huang, S.C, Satange, R.B, Hou, M.H. | | Deposit date: | 2023-10-11 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Targeting DNA junction sites by bis-intercalators induces topological changes with potent antitumor effects.
Nucleic Acids Res., 52, 2024
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8W7W
 | | Crystal structure of d(CGTATACG)2 with acridine complex | | Descriptor: | DNA (5'-D(P*CP*GP*TP*AP*TP*AP*CP*G)-3'), MAGNESIUM ION, ~{N},~{N}'-di(acridin-9-yl)pentane-1,5-diamine | | Authors: | Huang, S.C, Satange, R.B, Hou, M.H. | | Deposit date: | 2023-08-31 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Targeting DNA junction sites by bis-intercalators induces topological changes with potent antitumor effects.
Nucleic Acids Res., 52, 2024
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8W76
 | | Crystal structure of d(CGTATACG)2 duplex | | Descriptor: | DNA (5'-D(P*CP*GP*TP*AP*TP*AP*CP*G)-3'), MANGANESE (II) ION | | Authors: | Satange, R.B, Peng, C.L, Hou, M.H. | | Deposit date: | 2023-08-30 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Targeting DNA junction sites by bis-intercalators induces topological changes with potent antitumor effects.
Nucleic Acids Res., 52, 2024
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7ROR
 | | Plasmodium falciparum tyrosyl-tRNA synthetase in complex with tyrosine-AMP | | Descriptor: | 5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-08-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
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7ROS
 | | Plasmodium falciparum tyrosyl-tRNA synthetase in complex with ML901-Tyr | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-08-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
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7ROU
 | | Structure of human tyrosyl tRNA synthetase in complex with ML901-Tyr | | Descriptor: | SULFATE ION, Tyrosine--tRNA ligase, cytoplasmic, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-08-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
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7ROT
 | | Plasmodium falciparum tyrosyl-tRNA synthetase, S234C mutant, in complex with ML901-Tyr | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-08-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
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7LXT
 | | Structure of Plasmodium falciparum 20S proteasome with bound bortezomib | | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | | Authors: | Morton, C.J, Metcalfe, R.D, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-03-05 | | Release date: | 2021-09-22 | | Last modified: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7LXU
 | | Structure of Plasmodium falciparum 20S proteasome with bound MPI-5 | | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | | Authors: | Metcalfe, R.D, Morton, C.J, Xie, S.C, Liu, B, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-03-05 | | Release date: | 2021-09-22 | | Last modified: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7LXV
 | | Structure of human 20S proteasome with bound MPI-5 | | Descriptor: | N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | | Authors: | Metcalfe, R.D, Morton, C.J, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-03-05 | | Release date: | 2021-09-22 | | Last modified: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7XF9
 | | Crystal structure of human bleomycin hydrolase H372A mutant | | Descriptor: | Bleomycin hydrolase | | Authors: | Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C. | | Deposit date: | 2022-04-01 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
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7V5S
 | | Crystal structure of human bleomycin hydrolase C73A mutant | | Descriptor: | Bleomycin hydrolase, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL | | Authors: | Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C. | | Deposit date: | 2021-08-18 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
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7V5L
 | | Crystal structure of human bleomycin hydrolase | | Descriptor: | Bleomycin hydrolase | | Authors: | Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C. | | Deposit date: | 2021-08-17 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
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7V5T
 | | Crystal structure of human bleomycin hydrolase C73S mutant | | Descriptor: | Bleomycin hydrolase | | Authors: | Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C. | | Deposit date: | 2021-08-18 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
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6W1S
 | | Atomic model of the mammalian Mediator complex | | Descriptor: | Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ... | | Authors: | Zhao, H, Young, N, Asturias, F. | | Deposit date: | 2020-03-04 | | Release date: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (4.02 Å) | | Cite: | A Pliable Mediator Acts as a Functional Rather Than an Architectural Bridge between Promoters and Enhancers.
Cell, 178, 2019
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3Q96
 | | B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor | | Descriptor: | (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Sintchak, M.D, Aertgeerts, K, Yano, J. | | Deposit date: | 2011-01-07 | | Release date: | 2011-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.
J.Med.Chem., 54, 2011
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7CXS
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7CXV
 | | Crystal structure of CmnK | | Descriptor: | CmnK | | Authors: | Chang, C.Y, Hsu, S.H. | | Deposit date: | 2020-09-02 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Characterization of Enzymes Catalyzing the Formation of the Nonproteinogenic Amino Acid l-Dap in Capreomycin Biosynthesis.
Biochemistry, 60, 2021
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7CXU
 | | Crystal structure of CmnK in complex with NAD+ | | Descriptor: | CmnK, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Chang, C.Y, Hsu, S.H. | | Deposit date: | 2020-09-02 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Characterization of Enzymes Catalyzing the Formation of the Nonproteinogenic Amino Acid l-Dap in Capreomycin Biosynthesis.
Biochemistry, 60, 2021
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7F0A
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7F0B
 | | Crystal structure of capreomycin phosphotransferase in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Capreomycin phosphotransferase | | Authors: | Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I. | | Deposit date: | 2021-06-03 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin.
Acs Chem.Biol., 17, 2022
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7F0F
 | | Crystal structure of capreomycin phosphotransferase in complex with CMN IIB | | Descriptor: | Capreomycin phosphotransferase, DPP-ALA-DPP-UAL-MYN-KBE | | Authors: | Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I. | | Deposit date: | 2021-06-03 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin.
Acs Chem.Biol., 17, 2022
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7F0C
 | | Crystal structure of capreomycin phosphotransferase in complex with CMN IIA | | Descriptor: | Capreomycin phosphotransferase, DPP-SER-DPP-UAL-MYN-KBE | | Authors: | Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I. | | Deposit date: | 2021-06-03 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin.
Acs Chem.Biol., 17, 2022
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7KW1
 | | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3 | | Descriptor: | (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | | Authors: | Skene, R. | | Deposit date: | 2020-11-29 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
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7KVX
 | | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1 | | Descriptor: | (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | | Authors: | Skene, R. | | Deposit date: | 2020-11-29 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
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