2XP5
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![BU of 2xp5 by Molmil](/molmil-images/mine/2xp5) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 5-METHYL-2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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2XP3
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![BU of 2xp3 by Molmil](/molmil-images/mine/2xp3) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 5-(2-METHOXYPHENYL)-2-FUROIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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2XPA
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![BU of 2xpa by Molmil](/molmil-images/mine/2xpa) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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2XP4
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![BU of 2xp4 by Molmil](/molmil-images/mine/2xp4) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 2-phenyl-1H-imidazole-4-carboxylic acid, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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2XP7
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![BU of 2xp7 by Molmil](/molmil-images/mine/2xp7) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 2-PHENYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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2XP8
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![BU of 2xp8 by Molmil](/molmil-images/mine/2xp8) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 4-(MORPHOLIN-4-YLCARBONYL)-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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2M0K
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7VWP
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![BU of 7vwp by Molmil](/molmil-images/mine/7vwp) | Structure of the flavin-dependent monooxygenase FlsO1 from the biosynthesis of fluostatinsin | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FlsO1, PHOSPHATE ION, ... | Authors: | Zhang, Y, Yang, C, Zhang, L, Zhang, C. | Deposit date: | 2021-11-11 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biochemical and structural insights of multifunctional flavin-dependent monooxygenase FlsO1-catalyzed unexpected xanthone formation Nat Commun, 13, 2022
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2M0J
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7WID
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![BU of 7wid by Molmil](/molmil-images/mine/7wid) | Crystal structure of Staphylococcus aureus ClpP in complex with ZG180 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ... | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | Deposit date: | 2022-01-03 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP. Nat Commun, 13, 2022
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7WH5
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![BU of 7wh5 by Molmil](/molmil-images/mine/7wh5) | Crystal structure of human ClpP in complex with ZG180 | Descriptor: | (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | Deposit date: | 2021-12-29 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP. Nat Commun, 13, 2022
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7WQA
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![BU of 7wqa by Molmil](/molmil-images/mine/7wqa) | SARS-CoV-2 main protease in complex with Z-VAD-FMK | Descriptor: | 3C-like proteinase, Z-VAD(OMe)-FMK | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y. | Deposit date: | 2022-01-25 | Release date: | 2023-03-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | SARS-CoV-2 main protease in complex with Z-VAD-FMK To Be Published
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7WQ9
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![BU of 7wq9 by Molmil](/molmil-images/mine/7wq9) | Crystal structure of SARS-CoV-2 main protease in complex with Z-IETD-FMK | Descriptor: | 3C-like proteinase, Z-IETD-FMK | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y. | Deposit date: | 2022-01-25 | Release date: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.054 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease in complex with Z-IETD-FMK To Be Published
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7WQ8
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![BU of 7wq8 by Molmil](/molmil-images/mine/7wq8) | Crystal structure of SARS-CoV-2 main protease in complex with Z-DEVD-FMK | Descriptor: | 3C-like proteinase, Z-DEVD-FMK | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y. | Deposit date: | 2022-01-24 | Release date: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease in complex with Z-DEVD-FMK To Be Published
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7WQK
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![BU of 7wqk by Molmil](/molmil-images/mine/7wqk) | wild-type SARS-CoV-2 main protease in complex with MG-132 | Descriptor: | 3C-like proteinase, MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y. | Deposit date: | 2022-01-25 | Release date: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | wild-type SARS-CoV-2 main protease in complex with MG-132 To Be Published
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7WQB
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![BU of 7wqb by Molmil](/molmil-images/mine/7wqb) | SARS-CoV-2 main protease mutant (P168A) in complex with MG-132 | Descriptor: | 3C-like proteinase nsp5, MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y. | Deposit date: | 2022-01-25 | Release date: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | SARS-CoV-2 main protease mutant (P168A) in complex with MG-132 To Be Published
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7XBZ
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![BU of 7xbz by Molmil](/molmil-images/mine/7xbz) | Crystal structure of Staphylococcus aureus ClpP in complex with R-ZG197 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2S)-butan-2-yl]-8-[(1R)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ... | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | Deposit date: | 2022-03-22 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP. Nat Commun, 13, 2022
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7X4C
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![BU of 7x4c by Molmil](/molmil-images/mine/7x4c) | Native CD-NTase EfCdnE | Descriptor: | EfCdnE, L(+)-TARTARIC ACID | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-02 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
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7X4P
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![BU of 7x4p by Molmil](/molmil-images/mine/7x4p) | CD-NTase EfCdnE in complex with intermediate pppUpU | Descriptor: | EfCdnE, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE, ... | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-03 | Release date: | 2023-03-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
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7X4F
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![BU of 7x4f by Molmil](/molmil-images/mine/7x4f) | Native CD-NTase LpCdnE | Descriptor: | Cyclic dipyrimidine nucleotide synthase, SULFATE ION | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-02 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
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7X4Q
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![BU of 7x4q by Molmil](/molmil-images/mine/7x4q) | LpCdnE UTP Mg complex | Descriptor: | Cyclic dipyrimidine nucleotide synthase, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-03 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
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7X4G
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![BU of 7x4g by Molmil](/molmil-images/mine/7x4g) | CD-NTase ClCdnE in complex with substrate UTP | Descriptor: | ClCdnE, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-02 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
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7X4T
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![BU of 7x4t by Molmil](/molmil-images/mine/7x4t) | LpCdnE UMPNPP Mg complex | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, Cyclic dipyrimidine nucleotide synthase, GLYCEROL, ... | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-03 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
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7YJW
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![BU of 7yjw by Molmil](/molmil-images/mine/7yjw) | |
7YIB
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![BU of 7yib by Molmil](/molmil-images/mine/7yib) | Crystal structure of wild-type Cap4 SAVED domain-containing receptor from Enterobacter cloacae | Descriptor: | CD-NTase-associated protein 4, CHLORIDE ION | Authors: | Ko, T.-P, Yang, C.-S, Hou, M.-H, Wang, Y.-C, Chen, Y. | Deposit date: | 2022-07-15 | Release date: | 2023-05-31 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Specific recognition of cyclic oligonucleotides by Cap4 for phage infection. Int.J.Biol.Macromol., 237, 2023
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