7C7B
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![BU of 7c7b by Molmil](/molmil-images/mine/7c7b) | Crystal structure of human TRAP1 with SJT009 | Descriptor: | 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial | Authors: | Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S. | Deposit date: | 2020-05-24 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity. Acs Med.Chem.Lett., 12, 2021
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7C7C
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![BU of 7c7c by Molmil](/molmil-images/mine/7c7c) | Crystal structure of human TRAP1 with SJT104 | Descriptor: | 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial | Authors: | Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S. | Deposit date: | 2020-05-24 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity. Acs Med.Chem.Lett., 12, 2021
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7C04
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![BU of 7c04 by Molmil](/molmil-images/mine/7c04) | Crystal structure of human Trap1 with DN203492 | Descriptor: | 4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | Authors: | Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C. | Deposit date: | 2020-04-30 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development of pyrazolo[3,4-d]pyrimidine-6-amine-based TRAP1 inhibitors that demonstrate in vivo anticancer activity in mouse xenograft models. Bioorg.Chem., 101, 2020
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7C05
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![BU of 7c05 by Molmil](/molmil-images/mine/7c05) | Crystal structure of human Trap1 with DN203495 | Descriptor: | 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | Authors: | Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C. | Deposit date: | 2020-04-30 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Development of pyrazolo[3,4-d]pyrimidine-6-amine-based TRAP1 inhibitors that demonstrate in vivo anticancer activity in mouse xenograft models. Bioorg.Chem., 101, 2020
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5Y3N
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![BU of 5y3n by Molmil](/molmil-images/mine/5y3n) | Structure of TRAP1 complexed with DN401 | Descriptor: | 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | Authors: | Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C. | Deposit date: | 2017-07-29 | Release date: | 2017-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors. J. Med. Chem., 60, 2017
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5Y3O
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![BU of 5y3o by Molmil](/molmil-images/mine/5y3o) | Structure of TRAP1 complexed with DN320 | Descriptor: | 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | Authors: | Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C. | Deposit date: | 2017-07-29 | Release date: | 2017-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors. J. Med. Chem., 60, 2017
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7YCJ
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![BU of 7ycj by Molmil](/molmil-images/mine/7ycj) | |
1X3Z
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![BU of 1x3z by Molmil](/molmil-images/mine/1x3z) | Structure of a peptide:N-glycanase-Rad23 complex | Descriptor: | UV excision repair protein RAD23, ZINC ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, ... | Authors: | Lee, J.-H, Choi, J.M, Lee, C, Yi, K.J, Cho, Y. | Deposit date: | 2005-05-11 | Release date: | 2005-06-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of a peptide:N-glycanase-Rad23 complex: insight into the deglycosylation for denatured glycoproteins. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1X3W
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![BU of 1x3w by Molmil](/molmil-images/mine/1x3w) | Structure of a peptide:N-glycanase-Rad23 complex | Descriptor: | UV excision repair protein RAD23, ZINC ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, ... | Authors: | Lee, J.-H, Choi, J.M, Lee, C, Yi, K.J, Cho, Y. | Deposit date: | 2005-05-11 | Release date: | 2005-06-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of a peptide:N-glycanase-Rad23 complex: insight into the deglycosylation for denatured glycoproteins. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1CE3
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![BU of 1ce3 by Molmil](/molmil-images/mine/1ce3) | |
6II6
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![BU of 6ii6 by Molmil](/molmil-images/mine/6ii6) | Crystal structure of the Makes Caterpillars Floppy (MCF)-Like effector of Vibrio vulnificus MO6-24/O in complex with a human ADP-ribosylation factor 3 (ARF3) | Descriptor: | ADP-ribosylation factor 3, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Lee, Y, Kim, B.S, Choi, S, Lee, E.Y, Park, S, Hwang, J, Kwon, Y, Hyun, J, Lee, C, Eom, S.H, Kim, M.H. | Deposit date: | 2018-10-03 | Release date: | 2019-08-07 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Makes caterpillars floppy-like effector-containing MARTX toxins require host ADP-ribosylation factor (ARF) proteins for systemic pathogenicity. Proc.Natl.Acad.Sci.USA, 116, 2019
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4ZTT
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![BU of 4ztt by Molmil](/molmil-images/mine/4ztt) | Crystal structures of ferritin mutants reveal diferric-peroxo intermediates | Descriptor: | Bacterial non-heme ferritin, FE (II) ION, FE (III) ION, ... | Authors: | Kim, S, Park, Y.H, Jung, S.W, Seok, J.H, Chung, Y.B, Lee, D.B, Gowda, G, Lee, J.H, Han, H.R, Cho, A.E, Lee, C, Chung, M.S, Kim, K.H. | Deposit date: | 2015-05-15 | Release date: | 2016-06-15 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Basis of Novel Iron-Uptake Route and Reaction Intermediates in Ferritins from Gram-Negative Bacteria. J. Mol. Biol., 428, 2016
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6II0
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![BU of 6ii0 by Molmil](/molmil-images/mine/6ii0) | Crystal structure of the Makes Caterpillars Floppy (MCF)-Like effector of Vibrio vulnificus MO6-24/O | Descriptor: | GLYCEROL, Putative RTX-toxin | Authors: | Lee, Y, Kim, B.S, Choi, S, Lee, E.Y, Park, S, Hwang, J, Kwon, Y, Hyun, J, Lee, C, Eom, S.H, Kim, M.H. | Deposit date: | 2018-10-03 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Makes caterpillars floppy-like effector-containing MARTX toxins require host ADP-ribosylation factor (ARF) proteins for systemic pathogenicity. Proc.Natl.Acad.Sci.USA, 116, 2019
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6II2
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![BU of 6ii2 by Molmil](/molmil-images/mine/6ii2) | Crystal structure of alpha-beta hydrolase (ABH) and Makes Caterpillars Floppy (MCF)-Like effectors of Vibrio vulnificus MO6-24/O | Descriptor: | Putative RTX-toxin | Authors: | Lee, Y, Kim, B.S, Choi, S, Lee, E.Y, Park, S, Hwang, J, Kwon, Y, Hyung, J, Lee, C, Eom, S.H, Kim, M.H. | Deposit date: | 2018-10-03 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Makes caterpillars floppy-like effector-containing MARTX toxins require host ADP-ribosylation factor (ARF) proteins for systemic pathogenicity. Proc.Natl.Acad.Sci.USA, 116, 2019
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5C6F
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![BU of 5c6f by Molmil](/molmil-images/mine/5c6f) | Crystal structures of ferritin mutants reveal side-on binding to diiron and end-on cleavage of oxygen | Descriptor: | Bacterial non-heme ferritin, FE (III) ION, IMIDAZOLE | Authors: | Kim, S, Kim, K.H, Seok, J.H, Park, Y.H, Jung, S.W, Chung, Y.B, Lee, D.B, Lee, J.H, Han, K.R, Cho, A.E, Lee, C, Chung, M.S. | Deposit date: | 2015-06-23 | Release date: | 2016-07-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis of Novel Iron-Uptake Route and Reaction Intermediates in Ferritins from Gram-Negative Bacteria. J. Mol. Biol., 428, 2016
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5XQH
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![BU of 5xqh by Molmil](/molmil-images/mine/5xqh) | Crystal structure of truncated human Rogdi | Descriptor: | Protein rogdi homolog | Authors: | Lee, H, Lee, C. | Deposit date: | 2017-06-07 | Release date: | 2017-07-12 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The crystal structure of human Rogdi provides insight into the causes of Kohlschutter-Tonz Syndrome Sci Rep, 7, 2017
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5XJG
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![BU of 5xjg by Molmil](/molmil-images/mine/5xjg) | Crystal structure of Vac8p bound to Nvj1p | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Nucleus-vacuole junction protein 1, ... | Authors: | Jeong, H, Park, J, Jun, Y, Lee, C. | Deposit date: | 2017-05-01 | Release date: | 2017-06-07 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mechanistic insight into the nucleus-vacuole junction based on the Vac8p-Nvj1p crystal structure. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5XQI
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![BU of 5xqi by Molmil](/molmil-images/mine/5xqi) | Crystal structure of full-length human Rogdi | Descriptor: | Protein rogdi homolog | Authors: | Lee, H, Lee, C. | Deposit date: | 2017-06-07 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The crystal structure of human Rogdi provides insight into the causes of Kohlschutter-Tonz Syndrome Sci Rep, 7, 2017
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5Y2Y
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![BU of 5y2y by Molmil](/molmil-images/mine/5y2y) | Crystal structure of HaloTag (M175C) complexed with dansyl-PEG2-HaloTag ligand | Descriptor: | 5-(dimethylamino)-~{N}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Lee, H, Kang, M, Rhee, H, Lee, C. | Deposit date: | 2017-07-27 | Release date: | 2017-09-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structure-guided synthesis of a protein-based fluorescent sensor for alkyl halides Chem. Commun. (Camb.), 53, 2017
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7WAN
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![BU of 7wan by Molmil](/molmil-images/mine/7wan) | Crystal structure of HaloTag complexed with UL2 | Descriptor: | (R)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Pratyush, M, Kang, M, Lee, H, Lee, C, Rhee, H. | Deposit date: | 2021-12-14 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.284 Å) | Cite: | A chemical tool for blue light-inducible proximity photo-crosslinking in live cells. Chem Sci, 13, 2022
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7WAM
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![BU of 7wam by Molmil](/molmil-images/mine/7wam) | Crystal structure of HaloTag complexed with VL1 | Descriptor: | 3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-[2-(2-hexoxyethoxy)ethyl]propanamide, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Pratyush, M, Kang, M, Lee, H, Lee, C, Rhee, H. | Deposit date: | 2021-12-14 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | A chemical tool for blue light-inducible proximity photo-crosslinking in live cells. Chem Sci, 13, 2022
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5Y2X
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![BU of 5y2x by Molmil](/molmil-images/mine/5y2x) | Crystal structure of apo-HaloTag (M175C) | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase | Authors: | Lee, H, Kang, M, Rhee, H, Lee, C. | Deposit date: | 2017-07-27 | Release date: | 2017-09-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure-guided synthesis of a protein-based fluorescent sensor for alkyl halides Chem. Commun. (Camb.), 53, 2017
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6MKF
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![BU of 6mkf by Molmil](/molmil-images/mine/6mkf) | Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the imipenem-bound form | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, SULFATE ION, penicillin binding protein 5 (PBP5) | Authors: | Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R. | Deposit date: | 2018-09-25 | Release date: | 2018-10-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance. J. Biol. Chem., 293, 2018
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6MKA
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![BU of 6mka by Molmil](/molmil-images/mine/6mka) | Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the open conformation | Descriptor: | SULFATE ION, penicillin binding protein 5 (PBP5) | Authors: | Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R. | Deposit date: | 2018-09-25 | Release date: | 2018-10-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance. J. Biol. Chem., 293, 2018
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6MKG
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![BU of 6mkg by Molmil](/molmil-images/mine/6mkg) | Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the benzylpenicilin-bound form | Descriptor: | OPEN FORM - PENICILLIN G, SULFATE ION, penicillin binding protein 5 (PBP5) | Authors: | Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R. | Deposit date: | 2018-09-25 | Release date: | 2018-10-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance. J. Biol. Chem., 293, 2018
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