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6NDU
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BU of 6ndu by Molmil
Structure of human PACRG-MEIG1 complex
分子名称: CHLORIDE ION, Meiosis expressed gene 1 protein homolog, PHOSPHATE ION, ...
著者Khan, N, Croteau, N, Pelletier, D, Veyron, S, Trempe, J.F.
登録日2018-12-14
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human PACRG in complex with MEIG1
Biorxiv, 2019
6NEP
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BU of 6nep by Molmil
Structure of human PACRG-MEIG1 complex
分子名称: CHLORIDE ION, Meiosis expressed gene 1 protein homolog, PHOSPHATE ION, ...
著者Khan, N, Croteau, N, Pelletier, D, Veyron, S, Trempe, J.F.
登録日2018-12-18
公開日2019-10-23
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.097625 Å)
主引用文献Crystal structure of human PACRG in complex with MEIG1
Biorxiv, 2019
6UCC
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BU of 6ucc by Molmil
Structure of human PACRG-MEIG1 complex (limited proteolysis)
分子名称: DI(HYDROXYETHYL)ETHER, Meiosis expressed gene 1 protein homolog, PHOSPHATE ION, ...
著者Khan, N, Croteau, N, Pelletier, D, Veyron, S, Trempe, J.F.
登録日2019-09-16
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of human PACRG in complex with MEIG1
Biorxiv, 2019
7KS0
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BU of 7ks0 by Molmil
GluK2/K5 with 6-Cyano-7-nitroquinoxaline-2,3-dione (CNQX)
分子名称: Glutamate receptor ionotropic, kainate 2, kainate 5,Green fluorescent protein chimera
著者Khanra, N, Brown, P.M.G.E, Perozzo, A.M, Bowie, D, Meyerson, J.R.
登録日2020-11-20
公開日2021-03-24
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (5.3 Å)
主引用文献Architecture and structural dynamics of the heteromeric GluK2/K5 kainate receptor.
Elife, 10, 2021
7KS3
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BU of 7ks3 by Molmil
GluK2/K5 with L-Glu
分子名称: Glutamate receptor ionotropic, kainate 2, kainate 5,Green fluorescent protein chimera
著者Khanra, N, Brown, P.M.G.E, Perozzo, A.M, Bowie, D, Meyerson, J.R.
登録日2020-11-20
公開日2021-03-24
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Architecture and structural dynamics of the heteromeric GluK2/K5 kainate receptor.
Elife, 10, 2021
6NUI
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BU of 6nui by Molmil
Human Guanylate Kinase
分子名称: Guanylate kinase
著者Sabo, T.M, Khan, N, Ban, D, Trigo-Mourino, P, Carneiro, M.G, Trent, J.O, Konrad, M, Lee, D.
登録日2019-02-01
公開日2019-06-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure and functional investigation of human guanylate kinase reveals allosteric networking and a crucial role for the enzyme in cancer.
J.Biol.Chem., 294, 2019
1O9K
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BU of 1o9k by Molmil
Crystal structure of the retinoblastoma tumour suppressor protein bound to E2F peptide
分子名称: RETINOBLASTOMA-ASSOCIATED PROTEIN, TRANSCRIPTION FACTOR E2F1
著者Xiao, B, Spencer, J, Clements, A, Ali-Khan, N, Mittnacht, S, Broceno, C, Burghammer, M, Perrakis, A, Marmorstein, R, Gamblin, S.J.
登録日2002-12-16
公開日2003-03-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of the Retinoblastoma Tumor Suppressor Protein Bound to E2F and the Molecular Basis of its Regulation
Proc.Natl.Acad.Sci.USA, 100, 2003
7TIV
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BU of 7tiv by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48
分子名称: (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION
著者Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2022-01-14
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIY
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BU of 7tiy by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-48
分子名称: (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2022-01-14
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIU
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BU of 7tiu by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB46
分子名称: (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION, ...
著者Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2022-01-14
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIZ
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BU of 7tiz by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-63
分子名称: (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2022-01-14
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIW
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BU of 7tiw by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB54
分子名称: (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, PHOSPHATE ION
著者Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2022-01-14
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIA
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BU of 7tia by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-14
分子名称: 3C-like proteinase nsp5, THIOCYANATE ION, benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
著者Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2022-01-13
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIX
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BU of 7tix by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB56
分子名称: 3C-like proteinase nsp5, MAGNESIUM ION, N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2022-01-14
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TJ0
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BU of 7tj0 by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ACETATE ION
著者Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2022-01-14
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
5KP0
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BU of 5kp0 by Molmil
Recognition and targeting mechanisms by chaperones in flagella assembly and operation
分子名称: Flagellar protein FliT,Flagellum-specific ATP synthase
著者Khanra, N.K, Rossi, P, Economou, A, Kalodimos, C.G.
登録日2016-07-01
公開日2016-08-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Recognition and targeting mechanisms by chaperones in flagellum assembly and operation.
Proc.Natl.Acad.Sci.USA, 113, 2016
5KS6
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BU of 5ks6 by Molmil
Recognition and targeting mechanisms by chaperones in flagella assembly and operation
分子名称: Flagellar protein FliT
著者Khanra, N.K, Rossi, P, Economou, A, Kalodimos, C.G.
登録日2016-07-07
公開日2016-08-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Recognition and targeting mechanisms by chaperones in flagellum assembly and operation.
Proc.Natl.Acad.Sci.USA, 113, 2016
5KRW
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BU of 5krw by Molmil
Recognition and targeting mechanisms by chaperones in flagella assembly and operation
分子名称: Flagellar protein FliT,Flagellar hook-associated protein 2 fusion
著者Khanra, N.K, Rossi, P, Economou, A, Kalodimos, C.G.
登録日2016-07-07
公開日2016-08-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Recognition and targeting mechanisms by chaperones in flagellum assembly and operation.
Proc.Natl.Acad.Sci.USA, 113, 2016
8AIN
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BU of 8ain by Molmil
MCUGI SAUNG complex
分子名称: 1,2-ETHANEDIOL, MCUGI, SULFATE ION, ...
著者Muselmani, W, Savva, R.
登録日2022-07-26
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
8AIM
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BU of 8aim by Molmil
Ugi-2 SAUNG complex
分子名称: Uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor
著者Muselmani, W, Savva, R.
登録日2022-07-26
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
8AIL
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BU of 8ail by Molmil
Bacillus phage VMY22 p56 in complex with Bacillus weidmannii Ung
分子名称: Bacillus phage VMY22 p56, GLYCEROL, IODIDE ION, ...
著者Muselmani, W, Bagneris, C, Savva, R.
登録日2022-07-26
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
2NWB
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BU of 2nwb by Molmil
Crystal Structure of a Putative 2,3-dioxygenase (SO4414) from Shewanella oneidensis in complex with ferric heme. Northeast Structural Genomics Target SoR52.
分子名称: Conserved domain protein, PROTOPORPHYRIN IX CONTAINING FE
著者Forouhar, F, Anderson, J.L.R, Mowat, C.G, Hussain, A, Seetharaman, J, Bruckmann, C, Thackray, S.J, Khan, N, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Ma, L.C, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-14
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
7SSX
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BU of 7ssx by Molmil
Structure of human Kv1.3
分子名称: POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3, Green fluorescent protein fusion
著者Meyerson, J.R, Selvakumar, P.
登録日2021-11-11
公開日2022-06-29
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
7SSY
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BU of 7ssy by Molmil
Structure of human Kv1.3 (alternate conformation)
分子名称: POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3,Green fluorescent protein fusion
著者Meyerson, J.R, Selvakumar, P.
登録日2021-11-11
公開日2022-06-29
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022
7SSZ
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Structure of human Kv1.3 with A0194009G09 nanobodies
分子名称: Nanobody A0194009G09, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3,Green fluorescent protein fusion
著者Meyerson, J.R, Selvakumar, P.
登録日2021-11-11
公開日2022-06-29
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators.
Nat Commun, 13, 2022

 

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