8WQ7
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![BU of 8wq7 by Molmil](/molmil-images/mine/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
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![BU of 8w7w by Molmil](/molmil-images/mine/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
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![BU of 8w76 by Molmil](/molmil-images/mine/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
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![BU of 7ror by Molmil](/molmil-images/mine/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
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![BU of 7ros by Molmil](/molmil-images/mine/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
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![BU of 7rou by Molmil](/molmil-images/mine/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
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![BU of 7rot by Molmil](/molmil-images/mine/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
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![BU of 7lxt by Molmil](/molmil-images/mine/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
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![BU of 7lxu by Molmil](/molmil-images/mine/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
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![BU of 7lxv by Molmil](/molmil-images/mine/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
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![BU of 7xf9 by Molmil](/molmil-images/mine/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
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![BU of 7v5s by Molmil](/molmil-images/mine/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
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![BU of 7v5l by Molmil](/molmil-images/mine/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
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![BU of 7v5t by Molmil](/molmil-images/mine/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
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![BU of 6w1s by Molmil](/molmil-images/mine/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
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![BU of 3q96 by Molmil](/molmil-images/mine/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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![BU of 7cxs by Molmil](/molmil-images/mine/7cxs) | |
7CXV
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![BU of 7cxv by Molmil](/molmil-images/mine/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
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![BU of 7cxu by Molmil](/molmil-images/mine/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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![BU of 7f0a by Molmil](/molmil-images/mine/7f0a) | |
7F0B
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![BU of 7f0b by Molmil](/molmil-images/mine/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
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![BU of 7f0f by Molmil](/molmil-images/mine/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
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![BU of 7f0c by Molmil](/molmil-images/mine/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
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![BU of 7kw1 by Molmil](/molmil-images/mine/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
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![BU of 7kvx by Molmil](/molmil-images/mine/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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