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PDB: 98 件
7C7B
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Crystal structure of human TRAP1 with SJT009
分子名称: 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S.
登録日2020-05-24
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
7C7C
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Crystal structure of human TRAP1 with SJT104
分子名称: 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S.
登録日2020-05-24
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
7C04
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Crystal structure of human Trap1 with DN203492
分子名称: 4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C.
登録日2020-04-30
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
7C05
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Crystal structure of human Trap1 with DN203495
分子名称: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C.
登録日2020-04-30
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献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
5Y3N
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BU of 5y3n by Molmil
Structure of TRAP1 complexed with DN401
分子名称: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C.
登録日2017-07-29
公開日2017-08-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
5Y3O
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Structure of TRAP1 complexed with DN320
分子名称: 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
著者Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C.
登録日2017-07-29
公開日2017-08-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
7YCJ
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Crystal structure of Vac8 bound to Vac17
分子名称: Vacuolar protein 8, vacuole-related protein 17
著者Kim, H, Kim, H, Lee, C.
登録日2022-07-01
公開日2023-07-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Crystal structure of Vac8 bound to Vac17
To Be Published
1X3Z
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Structure of a peptide:N-glycanase-Rad23 complex
分子名称: UV excision repair protein RAD23, ZINC ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, ...
著者Lee, J.-H, Choi, J.M, Lee, C, Yi, K.J, Cho, Y.
登録日2005-05-11
公開日2005-06-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of a peptide:N-glycanase-Rad23 complex: insight into the deglycosylation for denatured glycoproteins.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1X3W
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Structure of a peptide:N-glycanase-Rad23 complex
分子名称: UV excision repair protein RAD23, ZINC ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, ...
著者Lee, J.-H, Choi, J.M, Lee, C, Yi, K.J, Cho, Y.
登録日2005-05-11
公開日2005-06-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of a peptide:N-glycanase-Rad23 complex: insight into the deglycosylation for denatured glycoproteins.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1CE3
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BU of 1ce3 by Molmil
PUTATIVE ANCESTRAL PROTEIN ENCODED BY A SINGLE SEQUENCE REPEAT OF THE MULTIDOMAIN PROTEINASE INHIBITOR FROM NICOTIANA ALATA
分子名称: API
著者Scanlon, M.J, Lee, M.C.S, Anderson, M.A, Craik, D.J.
登録日1999-03-14
公開日1999-03-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structure of a putative ancestral protein encoded by a single sequence repeat from a multidomain proteinase inhibitor gene from Nicotiana alata.
Structure Fold.Des., 7, 1999
6II6
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BU of 6ii6 by Molmil
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)
分子名称: ADP-ribosylation factor 3, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者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.
登録日2018-10-03
公開日2019-08-07
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
4ZTT
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BU of 4ztt by Molmil
Crystal structures of ferritin mutants reveal diferric-peroxo intermediates
分子名称: Bacterial non-heme ferritin, FE (II) ION, FE (III) ION, ...
著者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.
登録日2015-05-15
公開日2016-06-15
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural Basis of Novel Iron-Uptake Route and Reaction Intermediates in Ferritins from Gram-Negative Bacteria.
J. Mol. Biol., 428, 2016
6II0
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Crystal structure of the Makes Caterpillars Floppy (MCF)-Like effector of Vibrio vulnificus MO6-24/O
分子名称: GLYCEROL, Putative RTX-toxin
著者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.
登録日2018-10-03
公開日2019-08-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献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
6II2
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Crystal structure of alpha-beta hydrolase (ABH) and Makes Caterpillars Floppy (MCF)-Like effectors of Vibrio vulnificus MO6-24/O
分子名称: Putative RTX-toxin
著者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.
登録日2018-10-03
公開日2019-08-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献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
5C6F
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BU of 5c6f by Molmil
Crystal structures of ferritin mutants reveal side-on binding to diiron and end-on cleavage of oxygen
分子名称: Bacterial non-heme ferritin, FE (III) ION, IMIDAZOLE
著者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.
登録日2015-06-23
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis of Novel Iron-Uptake Route and Reaction Intermediates in Ferritins from Gram-Negative Bacteria.
J. Mol. Biol., 428, 2016
5XQH
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Crystal structure of truncated human Rogdi
分子名称: Protein rogdi homolog
著者Lee, H, Lee, C.
登録日2017-06-07
公開日2017-07-12
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献The crystal structure of human Rogdi provides insight into the causes of Kohlschutter-Tonz Syndrome
Sci Rep, 7, 2017
5XJG
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Crystal structure of Vac8p bound to Nvj1p
分子名称: 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, ...
著者Jeong, H, Park, J, Jun, Y, Lee, C.
登録日2017-05-01
公開日2017-06-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanistic insight into the nucleus-vacuole junction based on the Vac8p-Nvj1p crystal structure.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5XQI
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Crystal structure of full-length human Rogdi
分子名称: Protein rogdi homolog
著者Lee, H, Lee, C.
登録日2017-06-07
公開日2017-07-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of human Rogdi provides insight into the causes of Kohlschutter-Tonz Syndrome
Sci Rep, 7, 2017
5Y2Y
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Crystal structure of HaloTag (M175C) complexed with dansyl-PEG2-HaloTag ligand
分子名称: 5-(dimethylamino)-~{N}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide, CHLORIDE ION, Haloalkane dehalogenase
著者Lee, H, Kang, M, Rhee, H, Lee, C.
登録日2017-07-27
公開日2017-09-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-guided synthesis of a protein-based fluorescent sensor for alkyl halides
Chem. Commun. (Camb.), 53, 2017
7WAN
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Crystal structure of HaloTag complexed with UL2
分子名称: (R)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol, CHLORIDE ION, Haloalkane dehalogenase
著者Pratyush, M, Kang, M, Lee, H, Lee, C, Rhee, H.
登録日2021-12-14
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.284 Å)
主引用文献A chemical tool for blue light-inducible proximity photo-crosslinking in live cells.
Chem Sci, 13, 2022
7WAM
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BU of 7wam by Molmil
Crystal structure of HaloTag complexed with VL1
分子名称: 3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-[2-(2-hexoxyethoxy)ethyl]propanamide, CHLORIDE ION, Haloalkane dehalogenase
著者Pratyush, M, Kang, M, Lee, H, Lee, C, Rhee, H.
登録日2021-12-14
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A chemical tool for blue light-inducible proximity photo-crosslinking in live cells.
Chem Sci, 13, 2022
5Y2X
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Crystal structure of apo-HaloTag (M175C)
分子名称: CHLORIDE ION, Haloalkane dehalogenase
著者Lee, H, Kang, M, Rhee, H, Lee, C.
登録日2017-07-27
公開日2017-09-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure-guided synthesis of a protein-based fluorescent sensor for alkyl halides
Chem. Commun. (Camb.), 53, 2017
6MKF
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Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the imipenem-bound form
分子名称: (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)
著者Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
登録日2018-09-25
公開日2018-10-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
6MKA
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Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the open conformation
分子名称: SULFATE ION, penicillin binding protein 5 (PBP5)
著者Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
登録日2018-09-25
公開日2018-10-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
6MKG
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Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the benzylpenicilin-bound form
分子名称: OPEN FORM - PENICILLIN G, SULFATE ION, penicillin binding protein 5 (PBP5)
著者Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
登録日2018-09-25
公開日2018-10-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献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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