7LMA
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![BU of 7lma by Molmil](/molmil-images/mine/7lma) | Tetrahymena telomerase T3D2 structure at 3.3 Angstrom | Descriptor: | Telomerase La-related protein p65, Telomerase RNA, Telomerase associated protein p50, ... | Authors: | He, Y, Wang, Y, Liu, B, Helmling, C, Susac, L, Cheng, R, Zhou, Z.H, Feigon, J. | Deposit date: | 2021-02-05 | Release date: | 2021-05-12 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of telomerase at several steps of telomere repeat synthesis. Nature, 593, 2021
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4U89
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4X6P
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4Q4C
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![BU of 4q4c by Molmil](/molmil-images/mine/4q4c) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and synthetic 1,5-(PP)2-IP4 (1,5-IP8) | Descriptor: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], ADENOSINE-5'-DIPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, ... | Authors: | Wang, H, Shears, S.B. | Deposit date: | 2014-04-14 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis of Densely Phosphorylated Bis-1,5-Diphospho-myo-Inositol Tetrakisphosphate and its Enantiomer by Bidirectional P-Anhydride Formation. Angew.Chem.Int.Ed.Engl., 53, 2014
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4QJK
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![BU of 4qjk by Molmil](/molmil-images/mine/4qjk) | Crystal structure of M. tuberculosis phosphopantetheinyl transferase PptT | Descriptor: | COENZYME A, Phosphopantetheinyl transferase PptT, SULFATE ION | Authors: | Noel, J.P, Burkart, M.D, Vickery, C.R. | Deposit date: | 2014-06-04 | Release date: | 2014-07-16 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structure, biochemistry, and inhibition of essential 4'-phosphopantetheinyl transferases from two species of mycobacteria. Acs Chem.Biol., 9, 2014
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4QJL
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![BU of 4qjl by Molmil](/molmil-images/mine/4qjl) | Crystal structure of M. ulcerans phosphopantetheinyl transferase MuPPT | Descriptor: | COENZYME A, MAGNESIUM ION, Phosphopantetheinyl transferase, ... | Authors: | Noel, J.P, Burkart, M.D, Vickery, C.R. | Deposit date: | 2014-06-04 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure, biochemistry, and inhibition of essential 4'-phosphopantetheinyl transferases from two species of mycobacteria. Acs Chem.Biol., 9, 2014
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6FCX
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![BU of 6fcx by Molmil](/molmil-images/mine/6fcx) | Structure of human 5,10-methylenetetrahydrofolate reductase (MTHFR) | Descriptor: | CITRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase, ... | Authors: | Kopec, J, Bezerra, G.A, Oberholzer, A.E, Rembeza, E, Sorrell, F.J, Chalk, R, Borkowska, O, Ellis, K, Kupinska, K, Krojer, T, Burgess-Brown, N, Von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Froese, D.S, Baumgartner, M, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2017-12-21 | Release date: | 2018-05-16 | Last modified: | 2018-07-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the regulation of human 5,10-methylenetetrahydrofolate reductase by phosphorylation and S-adenosylmethionine inhibition. Nat Commun, 9, 2018
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3FK7
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![BU of 3fk7 by Molmil](/molmil-images/mine/3fk7) | Crystal structure of TetR triple mutant (H64K, S135L, S138I) in complex with 4-ddma-atc | Descriptor: | (4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide, MAGNESIUM ION, Tetracycline repressor protein class B from transposon Tn10, ... | Authors: | Klieber, M.A, Scholz, O, Lochner, S, Gmeiner, P, Hillen, W, Muller, Y.A. | Deposit date: | 2008-12-16 | Release date: | 2009-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural origins for selectivity and specificity in an engineered bacterial repressor-inducer pair. Febs J., 276, 2009
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4X6O
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5MSA
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![BU of 5msa by Molmil](/molmil-images/mine/5msa) | Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2017-01-02 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of human carbonic anhydrase
isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide To be published
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6C4D
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![BU of 6c4d by Molmil](/molmil-images/mine/6c4d) | Structure based design of RIP1 kinase inhibitors | Descriptor: | (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Saikatendu, K.S, Yoshikawa, M. | Deposit date: | 2018-01-11 | Release date: | 2018-03-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships. J. Med. Chem., 61, 2018
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4X6N
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5LLN
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![BU of 5lln by Molmil](/molmil-images/mine/5lln) | Crystal structure of human carbonic anhydrase isozyme XIII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | Descriptor: | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, Carbonic anhydrase 13, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2016-07-28 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of human carbonic anhydrase isozyme XIII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide To be published
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7UPH
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![BU of 7uph by Molmil](/molmil-images/mine/7uph) | Structure of a ribosome with tethered subunits | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | Kim, D.S, Watkins, A, Bidstrup, E, Lee, J, Topkar, V.V, Kofman, C, Schwarz, K.J, Liu, Y, Pintilie, G, Roney, E, Das, R, Jewett, M.C. | Deposit date: | 2022-04-15 | Release date: | 2022-08-17 | Last modified: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (4.18 Å) | Cite: | Three-dimensional structure-guided evolution of a ribosome with tethered subunits. Nat.Chem.Biol., 18, 2022
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6GZR
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![BU of 6gzr by Molmil](/molmil-images/mine/6gzr) | Solution NMR structure of the tetramethylrhodamine (TMR) aptamer 3 in complex with 5-TAMRA | Descriptor: | 5-carboxy methylrhodamine, tetramethylrhodamine aptamer | Authors: | Duchardt-Ferner, E, Ohlenschlager, O, Kreutz, C.R, Wohnert, J. | Deposit date: | 2018-07-05 | Release date: | 2019-07-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of an RNA aptamer in complex with the fluorophore tetramethylrhodamine. Nucleic Acids Res., 48, 2020
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6QYG
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6QYF
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6QWU
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![BU of 6qwu by Molmil](/molmil-images/mine/6qwu) | 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 5.5 with Mn2+ and CoA. | Descriptor: | COENZYME A, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... | Authors: | Nguyen, M.C, Mourey, L, Pedelacq, J.D. | Deposit date: | 2019-03-06 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases. Febs J., 287, 2020
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5ZF1
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![BU of 5zf1 by Molmil](/molmil-images/mine/5zf1) | Molecular structure of a novel 5,10-methylenetetrahydrofolate dehydrogenase from the silkworm, Bombyx mori | Descriptor: | 1,2-ETHANEDIOL, 5,10-methylenetetrahydrofolate dehydrogenase, SULFATE ION | Authors: | Haque, R, Higashiura, A, Nakagawa, A, Yamamoto, K. | Deposit date: | 2018-03-02 | Release date: | 2019-01-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Molecular structure of a 5,10-methylenetetrahydrofolate dehydrogenase from the silkwormBombyx mori. FEBS Open Bio, 9, 2019
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6QXQ
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8P64
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![BU of 8p64 by Molmil](/molmil-images/mine/8p64) | Co-crystal structure of PD-L1 with low molecular weight inhibitor | Descriptor: | Programmed cell death 1 ligand 1, ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine | Authors: | Plewka, J, Magiera-Mularz, K, van der Straat, R, Draijer, R, Surmiak, E, Butera, R, Land, L, Musielak, B, Domling, A. | Deposit date: | 2023-05-25 | Release date: | 2024-03-06 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.312 Å) | Cite: | 1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists. Rsc Med Chem, 15, 2024
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6QXR
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![BU of 6qxr by Molmil](/molmil-images/mine/6qxr) | 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mn2+ and CoA. | Descriptor: | CALCIUM ION, COENZYME A, MANGANESE (II) ION, ... | Authors: | Nguyen, M.C, Mourey, L, Pedelacq, J.D. | Deposit date: | 2019-03-07 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases. Febs J., 287, 2020
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6B1L
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7C6P
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![BU of 7c6p by Molmil](/molmil-images/mine/7c6p) | Bromodomain-containing 4 BD2 in complex with 3',4',7,8- Tetrahydroxyflavonoid | Descriptor: | 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one, Bromodomain-containing protein 4 | Authors: | Li, J, Yu, K, Luo, Y, Zheng, W, Liang, W, Zhu, J. | Deposit date: | 2020-05-22 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of the natural product 3',4',7,8-tetrahydroxyflavone as a novel and potent selective BRD4 bromodomain 2 inhibitor. J Enzyme Inhib Med Chem, 36, 2021
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7C2Z
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![BU of 7c2z by Molmil](/molmil-images/mine/7c2z) | Bromodomain-containing 4 BD1 in complex with 3',4',7,8-Tetrahydroxyflavone | Descriptor: | 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one, Bromodomain-containing protein 4, FORMIC ACID | Authors: | Li, J, Zhu, J. | Deposit date: | 2020-05-10 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of the natural product 3',4',7,8-tetrahydroxyflavone as a novel and potent selective BRD4 bromodomain 2 inhibitor. J Enzyme Inhib Med Chem, 36, 2021
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