4DAI
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![BU of 4dai by Molmil](/molmil-images/mine/4dai) | Crystal structure of B. anthracis DHPS with compound 23 | Descriptor: | (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid, Dihydropteroate Synthase, SULFATE ION | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | Deposit date: | 2012-01-12 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity. Chemmedchem, 7, 2012
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4DED
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![BU of 4ded by Molmil](/molmil-images/mine/4ded) | Aurora A in complex with YL1-038-21 | Descriptor: | 1,2-ETHANEDIOL, 2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2012-01-20 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors. J.Med.Chem., 55, 2012
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6NWY
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![BU of 6nwy by Molmil](/molmil-images/mine/6nwy) | Modified tRNA(Pro) bound to Thermus thermophilus 70S (near-cognate) | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Hoffer, E.D, Subaramanian, S, Hong, S, Maehigashi, T, Dunham, C.M. | Deposit date: | 2019-02-07 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural insights into mRNA reading frame regulation by tRNA modification and slippery codon-anticodon pairing. Elife, 9, 2020
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5MXV
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![BU of 5mxv by Molmil](/molmil-images/mine/5mxv) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1107112A at 1.63A resolution | Descriptor: | 3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide, HTH-type transcriptional regulator EthR | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-24 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.626 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5MYM
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![BU of 5mym by Molmil](/molmil-images/mine/5mym) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK2032710A at 2.28A resolution | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, [4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone | Authors: | Mendes, V, Blaszczyk, M, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-27 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5MYL
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![BU of 5myl by Molmil](/molmil-images/mine/5myl) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1570606A at 1.72A resolution | Descriptor: | 2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide, HTH-type transcriptional regulator EthR | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-27 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.724 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5MYR
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![BU of 5myr by Molmil](/molmil-images/mine/5myr) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK735816A at 1.83A resolution | Descriptor: | 6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine, HTH-type transcriptional regulator EthR | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-27 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.828 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5MYW
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![BU of 5myw by Molmil](/molmil-images/mine/5myw) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound SB-435634 at 1.77A resolution | Descriptor: | HTH-type transcriptional regulator EthR, ~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-30 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5MYN
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![BU of 5myn by Molmil](/molmil-images/mine/5myn) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK445886A at 1.56A resolution | Descriptor: | HTH-type transcriptional regulator EthR, ~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-27 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.564 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5MYT
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![BU of 5myt by Molmil](/molmil-images/mine/5myt) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK921295A at 1.61A resolution | Descriptor: | 4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide, HTH-type transcriptional regulator EthR | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-27 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5MYS
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![BU of 5mys by Molmil](/molmil-images/mine/5mys) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK920684A at 1.59A resolution | Descriptor: | 2-(3-fluoranylphenoxy)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide, HTH-type transcriptional regulator EthR | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-27 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.587 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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6IN7
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![BU of 6in7 by Molmil](/molmil-images/mine/6in7) | Crystal structure of AlgU in complex with MucA(cyto) | Descriptor: | NICOTINAMIDE, RNA polymerase sigma-H factor, Sigma factor AlgU negative regulatory protein | Authors: | Li, S, Zhang, Q, Bartlam, M. | Deposit date: | 2018-10-24 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa. Febs J., 286, 2019
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5NZ1
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![BU of 5nz1 by Molmil](/molmil-images/mine/5nz1) | |
1JH9
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![BU of 1jh9 by Molmil](/molmil-images/mine/1jh9) | PURINE REPRESSOR MUTANT-HYPOXANTHINE-PURF OPERATOR COMPLEX | Descriptor: | 5'-D(*AP*AP*CP*GP*AP*AP*AP*AP*CP*GP*TP*TP*TP*TP*CP*GP*T)-3', HYPOXANTHINE, PHOSPHATE ION, ... | Authors: | Huffman, J.L, Lu, F, Zalkin, H, Brennan, R.G. | Deposit date: | 2001-06-27 | Release date: | 2002-02-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Role of residue 147 in the gene regulatory function of the Escherichia coli purine repressor. Biochemistry, 41, 2002
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8H6K
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![BU of 8h6k by Molmil](/molmil-images/mine/8h6k) | Cryo-EM structure of human exon-defined spliceosome in the mature B state. | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Zhang, W, Zhan, X, Zhang, X, Bai, R, Lei, J, Yan, C, Shi, Y. | Deposit date: | 2022-10-18 | Release date: | 2024-05-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural insights into human exon-defined spliceosome prior to activation. Cell Res., 34, 2024
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8H6L
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![BU of 8h6l by Molmil](/molmil-images/mine/8h6l) | Cryo-EM structure of human exon-defined spliceosome in the early B state. | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Zhang, W, Zhan, X, Zhang, X, Bai, R, Lei, J, Yan, C, Shi, Y. | Deposit date: | 2022-10-18 | Release date: | 2024-05-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural insights into human exon-defined spliceosome prior to activation. Cell Res., 34, 2024
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8H6E
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![BU of 8h6e by Molmil](/molmil-images/mine/8h6e) | Cryo-EM structure of human exon-defined spliceosome in the late pre-B state. | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Zhang, W, Zhan, X, Zhang, X, Bai, R, Lei, J, Yan, C, Shi, Y. | Deposit date: | 2022-10-17 | Release date: | 2024-05-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into human exon-defined spliceosome prior to activation. Cell Res., 34, 2024
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8H6J
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![BU of 8h6j by Molmil](/molmil-images/mine/8h6j) | Cryo-EM structure of human exon-defined spliceosome in the mature pre-B state. | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Zhang, W, Zhan, X, Zhang, X, Lei, J, Yan, C, Shi, Y. | Deposit date: | 2022-10-18 | Release date: | 2024-05-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural insights into human exon-defined spliceosome prior to activation. Cell Res., 34, 2024
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6CZ3
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![BU of 6cz3 by Molmil](/molmil-images/mine/6cz3) | Structure of the PTK6 kinase domain bound to a type I inhibitor (3-fluoro-4-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone | Descriptor: | (3-fluoro-4-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone, ACETATE ION, POTASSIUM ION, ... | Authors: | Gajiwala, K.S, Johnson, E, Cronin, C.N. | Deposit date: | 2018-04-07 | Release date: | 2018-06-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers. PLoS ONE, 13, 2018
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6CZR
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![BU of 6czr by Molmil](/molmil-images/mine/6czr) | The structure of amicetin bound to the 70S ribosome | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | Authors: | Eiler, D.R, Steitz, T.A, Looper, R.E, Serrano, C.M, Kannareddy, H.R, Koch, M.R, Barrows, L.R, Testa, C.A, Sebahar, P.R. | Deposit date: | 2018-04-09 | Release date: | 2019-04-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Unifying the Aminohexopyranose- and Peptidyl-Nucleoside Antibiotics: Implications for Antibiotic Design Angew.Chem.Int.Ed.Engl., 132, 2020
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6CZ4
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![BU of 6cz4 by Molmil](/molmil-images/mine/6cz4) | Structure of the PTK6 kinase domain bound to a type II inhibitor 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide | Descriptor: | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide, Protein-tyrosine kinase 6 | Authors: | Gajiwala, K.S, Johnson, E, Cronin, C.N. | Deposit date: | 2018-04-07 | Release date: | 2018-06-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Small molecule inhibitors reveal PTK6 kinase is not an oncogenic driver in breast cancers. PLoS ONE, 13, 2018
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6DUQ
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![BU of 6duq by Molmil](/molmil-images/mine/6duq) | Structure of a Rho-NusG KOW domain complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | Authors: | Berger, J.M, Lawson, M.R. | Deposit date: | 2018-06-21 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Mechanism for the Regulated Control of Bacterial Transcription Termination by a Universal Adaptor Protein. Mol. Cell, 71, 2018
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4RZT
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![BU of 4rzt by Molmil](/molmil-images/mine/4rzt) | Lac repressor engineered to bind sucralose, sucralose-bound tetramer | Descriptor: | 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose, Lac repressor | Authors: | Arbing, M.A, Cascio, D, Sawaya, M.R, Kosuri, S, Church, G.M. | Deposit date: | 2014-12-24 | Release date: | 2015-12-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Engineering an allosteric transcription factor to respond to new ligands. Nat.Methods, 13, 2016
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4RZS
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![BU of 4rzs by Molmil](/molmil-images/mine/4rzs) | Lac repressor engineered to bind sucralose, unliganded tetramer | Descriptor: | GLYCEROL, Lac repressor | Authors: | Arbing, M.A, Cascio, D, Kosuri, S, Church, G.M. | Deposit date: | 2014-12-24 | Release date: | 2015-12-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Engineering an allosteric transcription factor to respond to new ligands. Nat.Methods, 13, 2016
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1JMF
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![BU of 1jmf by Molmil](/molmil-images/mine/1jmf) | |