7Y1H
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![BU of 7y1h by Molmil](/molmil-images/mine/7y1h) | Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1 | Descriptor: | 1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ... | Authors: | Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y. | Deposit date: | 2022-06-08 | Release date: | 2023-07-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1. Embo Mol Med, 15, 2023
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7Y1W
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![BU of 7y1w by Molmil](/molmil-images/mine/7y1w) | Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1 | Descriptor: | (2R,3S)-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ... | Authors: | Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y. | Deposit date: | 2022-06-09 | Release date: | 2023-07-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1. Embo Mol Med, 15, 2023
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7Y28
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![BU of 7y28 by Molmil](/molmil-images/mine/7y28) | Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1 | Descriptor: | 1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ... | Authors: | Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y. | Deposit date: | 2022-06-09 | Release date: | 2023-07-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1. Embo Mol Med, 15, 2023
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7Y3S
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![BU of 7y3s by Molmil](/molmil-images/mine/7y3s) | Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1 | Descriptor: | 1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ... | Authors: | Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y. | Deposit date: | 2022-06-12 | Release date: | 2023-07-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1. Embo Mol Med, 15, 2023
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7RDH
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![BU of 7rdh by Molmil](/molmil-images/mine/7rdh) | |
8TC8
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![BU of 8tc8 by Molmil](/molmil-images/mine/8tc8) | Human asparaginyl-tRNA synthetase bound to adenosine 5'-sulfamate | Descriptor: | 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE, Asparagine--tRNA ligase, cytoplasmic, ... | Authors: | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | Deposit date: | 2023-06-30 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun, 15, 2024
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8TC7
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![BU of 8tc7 by Molmil](/molmil-images/mine/8tc7) | Human asparaginyl-tRNA synthetase, apo form | Descriptor: | Asparagine--tRNA ligase, cytoplasmic, CHLORIDE ION, ... | Authors: | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | Deposit date: | 2023-06-30 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun, 15, 2024
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8TC9
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![BU of 8tc9 by Molmil](/molmil-images/mine/8tc9) | Human asparaginyl-tRNA synthetase bound to OSM-S-106 | Descriptor: | Asparagine--tRNA ligase, cytoplasmic, GLYCEROL, ... | Authors: | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | Deposit date: | 2023-06-30 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun, 15, 2024
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7N3T
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![BU of 7n3t by Molmil](/molmil-images/mine/7n3t) | TrkA ECD complex with designed miniprotein ligand | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jude, K.M, Cao, L, Garcia, K.C. | Deposit date: | 2021-06-01 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Design of protein-binding proteins from the target structure alone. Nature, 605, 2022
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5CSS
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![BU of 5css by Molmil](/molmil-images/mine/5css) | Crystal structure of triosephosphate isomerase from Thermoplasma acidophilum with glycerol 3-phosphate | Descriptor: | CHLORIDE ION, SN-GLYCEROL-3-PHOSPHATE, Triosephosphate isomerase | Authors: | Park, S.H, Kim, H.S, Song, M.K, Kim, K.R, Park, J.S, Han, B.W. | Deposit date: | 2015-07-23 | Release date: | 2016-06-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure and Stability of the Dimeric Triosephosphate Isomerase from the Thermophilic Archaeon Thermoplasma acidophilum. Plos One, 10, 2015
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6L4G
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![BU of 6l4g by Molmil](/molmil-images/mine/6l4g) | |
6L4H
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![BU of 6l4h by Molmil](/molmil-images/mine/6l4h) | Crystal structure of human NDRG3 C30S mutant | Descriptor: | Protein NDRG3 | Authors: | Kim, K.R, Han, B.W. | Deposit date: | 2019-10-16 | Release date: | 2020-08-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural and Biophysical Analyses of Human N-Myc Downstream-Regulated Gene 3 (NDRG3) Protein. Biomolecules, 10, 2020
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6L4B
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![BU of 6l4b by Molmil](/molmil-images/mine/6l4b) | Crystal structure of human WT NDRG3 | Descriptor: | Protein NDRG3 | Authors: | Kim, K.R, Han, B.W. | Deposit date: | 2019-10-16 | Release date: | 2020-08-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Biophysical Analyses of Human N-Myc Downstream-Regulated Gene 3 (NDRG3) Protein. Biomolecules, 10, 2020
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6KVX
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![BU of 6kvx by Molmil](/molmil-images/mine/6kvx) | Crystal structure of the N-terminal domain single mutant (D119A) of the human mitochondrial calcium uniporter fused with T4 lysozyme | Descriptor: | Endolysin,Calcium uniporter protein, mitochondrial, SULFATE ION | Authors: | Lee, Y, Park, J, Lee, G, Yoon, S, Min, C.K, Kim, T.G, Yamamoto, T, Kim, D.H, Lee, K.W, Eom, S.H. | Deposit date: | 2019-09-05 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of the N-terminal domain single mutant (D119A) of the human mitochondrial calcium uniporter fused with T4 lysozyme Sci Rep, 2020
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7E69
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![BU of 7e69 by Molmil](/molmil-images/mine/7e69) | The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-3 | Descriptor: | N-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide, Peptidase M23, ZINC ION | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | Deposit date: | 2021-02-21 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structure-based inhibitor design for reshaping bacterial morphology Commun Biol, 5, 2022
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7E65
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![BU of 7e65 by Molmil](/molmil-images/mine/7e65) | The crystal structure of peptidoglycan peptidase in complex with inhibitor 3 | Descriptor: | (2S)-2-acetamido-N-[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide, Peptidase M23, ZINC ION | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | Deposit date: | 2021-02-21 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-based inhibitor design for reshaping bacterial morphology Commun Biol, 5, 2022
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7E60
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![BU of 7e60 by Molmil](/molmil-images/mine/7e60) | The crystal structure of peptidoglycan peptidase in complex with inhibitor 1 | Descriptor: | (2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid, Peptidase M23, ZINC ION | Authors: | Min, K, Yoon, H.J, Choi, Y, Lee, H.H. | Deposit date: | 2021-02-21 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure-based inhibitor design for reshaping bacterial morphology Commun Biol, 5, 2022
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7E64
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![BU of 7e64 by Molmil](/molmil-images/mine/7e64) | The crystal structure of peptidoglycan peptidase in complex with inhibitor 2-2 | Descriptor: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid, Peptidase M23, ZINC ION | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | Deposit date: | 2021-02-21 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based inhibitor design for reshaping bacterial morphology Commun Biol, 5, 2022
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7E67
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![BU of 7e67 by Molmil](/molmil-images/mine/7e67) | The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-2 | Descriptor: | N-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide, Peptidase M23, ZINC ION | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | Deposit date: | 2021-02-21 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-based inhibitor design for reshaping bacterial morphology Commun Biol, 5, 2022
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7E61
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![BU of 7e61 by Molmil](/molmil-images/mine/7e61) | The crystal structure of peptidoglycan peptidase in complex with inhibitor 2 | Descriptor: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid, Peptidase M23, ZINC ION | Authors: | Min, K.J, Yoon, H.J, Choi, Y, Lee, H.H. | Deposit date: | 2021-02-21 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based inhibitor design for reshaping bacterial morphology Commun Biol, 5, 2022
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7E63
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![BU of 7e63 by Molmil](/molmil-images/mine/7e63) | The crystal structure of peptidoglycan peptidase in complex with inhibitor 2-1 | Descriptor: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid, Peptidase M23, ZINC ION | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | Deposit date: | 2021-02-21 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based inhibitor design for reshaping bacterial morphology Commun Biol, 5, 2022
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7E66
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![BU of 7e66 by Molmil](/molmil-images/mine/7e66) | The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-1 | Descriptor: | N-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide, Peptidase M23, ZINC ION | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | Deposit date: | 2021-02-21 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Structure-based inhibitor design for reshaping bacterial morphology Commun Biol, 5, 2022
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5X3D
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![BU of 5x3d by Molmil](/molmil-images/mine/5x3d) | Crystal structure of HEP-CMP-bound form of cytidylyltransferase (CyTase) domain of Fom1 from Streptomyces wedmorensis | Descriptor: | Phosphoenolpyruvate phosphomutase, [[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-(2-hydroxyethyl)phosphinic acid | Authors: | Tomita, T, Cho, S.H, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2017-02-04 | Release date: | 2017-09-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Fosfomycin Biosynthesis via Transient Cytidylylation of 2-Hydroxyethylphosphonate by the Bifunctional Fom1 Enzyme ACS Chem. Biol., 12, 2017
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6JN8
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![BU of 6jn8 by Molmil](/molmil-images/mine/6jn8) | Structure of H216A mutant open form peptidoglycan peptidase | Descriptor: | Peptidase M23, SULFATE ION, ZINC ION | Authors: | Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H. | Deposit date: | 2019-03-13 | Release date: | 2020-01-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.106 Å) | Cite: | Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni. Nat Commun, 11, 2020
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6JMZ
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![BU of 6jmz by Molmil](/molmil-images/mine/6jmz) | Structure of H247A mutant open form peptidoglycan peptidase | Descriptor: | Peptidase M23, ZINC ION | Authors: | Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H. | Deposit date: | 2019-03-13 | Release date: | 2020-01-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni. Nat Commun, 11, 2020
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