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6VJW
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BU of 6vjw by Molmil
Crystal structure of WT hMBD4 complexed with T:G mismatch DNA
Descriptor: DNA (5'-D(*CP*CP*AP*GP*CP*GP*(ORP)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), Methyl-CpG-binding domain protein 4
Authors:Jung, H, Lee, S.
Deposit date:2020-01-17
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Catalytic mechanism of the mismatch-specific DNA glycosylase methyl-CpG-binding domain 4.
Biochem.J., 477, 2020
4H58
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BU of 4h58 by Molmil
BRAF in complex with compound 3
Descriptor: CHLORIDE ION, N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine, Serine/threonine-protein kinase B-raf
Authors:Vasbinder, M, Aquila, B, Augustin, M, Chueng, T, Cook, D, Drew, L, Fauber, B, Glossop, S, Godin, R, Grondine, M, Hennessy, E, Johannes, J, Lee, S, Lyne, P, Moertl, M, Omer, C, Palakurthi, S, Pontz, T, Read, J, Sha, L, Shen, M, Steinbacher, S, Wang, H, Wu, A, Ye, M, Bagal, B.
Deposit date:2012-09-18
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery and Optimization of a Novel Series of Potent Mutant B-Raf(V600E) Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
6NZ6
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BU of 6nz6 by Molmil
YcjX-GDP (type II)
Descriptor: GUANOSINE-5'-DIPHOSPHATE, YcjX Stress Protein
Authors:Tsai, J, Sung, N, Lee, J, Chang, C, Lee, S, Tsai, F.T.
Deposit date:2019-02-12
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of the YcjX Stress Protein Reveals a Ras-Like GTP-Binding Protein.
J.Mol.Biol., 431, 2019
4M8A
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BU of 4m8a by Molmil
Crystal Structure of Thermotoga maritima FtsH Periplasmic Domain
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP-dependent zinc metalloprotease FtsH
Authors:An, J.Y, Sharif, H, Barrera, F.N, Karabadzhak, A, Kang, G.B, Park, K.J, Sakkiah, S, Lee, K.W, Lee, S, Engelman, D.M, Wang, J, Eom, S.H.
Deposit date:2013-08-13
Release date:2014-09-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Structural roles of periplasmic and transmembrane domains of FtsH in ATP-dependent proteolysis
To be Published
7TIU
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BU of 7tiu by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB46
Descriptor: (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, ...
Authors: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.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 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
Authors: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.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIV
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BU of 7tiv by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48
Descriptor: (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
Authors: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.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
4Q0F
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BU of 4q0f by Molmil
Crystal Structure of Thermotoga maritima FtsH Periplasmic domain
Descriptor: ATP-dependent zinc metalloprotease FtsH
Authors:An, J.Y, Sharif, H, Barrera, F.N, Karabadzhak, A, Kang, G.B, Park, K.J, Sakkiah, S, Lee, K.W, Lee, S, Engelman, D.M, Wang, J, Eom, S.H.
Deposit date:2014-04-01
Release date:2015-04-01
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Structures of periplasmic and transmembrane domains of FtsH suggest a reverse translocon mechanism for protein extraction from membrane
To be Published
7TIZ
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BU of 7tiz by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-63
Descriptor: (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, ...
Authors: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.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: 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
Authors: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.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: (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, ...
Authors: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.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite: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
Descriptor: (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
Authors: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.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite: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
Descriptor: (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
Authors: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.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TOQ
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BU of 7toq by Molmil
Mammalian 80S ribosome bound with the ALS/FTD-associated dipeptide repeat protein poly-PR
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
7TOS
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BU of 7tos by Molmil
E. coli 70S ribosomes bound with the ALS/FTD-associated dipeptide repeat protein PR20
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
7TOR
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BU of 7tor by Molmil
Mammalian 80S ribosome bound with the ALS/FTD-associated dipeptide repeat protein GR20
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
7TOP
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BU of 7top by Molmil
Yeast 80S ribosome bound with the ALS/FTD-associated dipeptide repeat protein PR20
Descriptor: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
7TOO
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BU of 7too by Molmil
Yeast 80S ribosome bound with the ALS/FTD-associated dipeptide repeat protein GR20
Descriptor: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
6U2O
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BU of 6u2o by Molmil
Structure of human DNA polymerase beta misinserting dAMPNPP opposite the 5'G of the cisplatin Pt-GG intrastrand crosslink
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ...
Authors:Ouzon-Shubeita, H, Vilas, C.K, Lee, S.
Deposit date:2019-08-20
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the Mutagenic Bypass of the Major Cisplatin-DNA Lesion by Human DNA Polymerase Beta Reveal Insights into Cisplatin-Induced Mutagenesis
To Be Published
6U6B
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BU of 6u6b by Molmil
Structure of human DNA polymerase beta misinserting dAMPNPP opposite the 5'G of the cisplatin Pt-GG intrastrand crosslink with Manganese in the active site
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ...
Authors:Ouzon-Shubeita, H, Vilas, C.K, Lee, S.
Deposit date:2019-08-29
Release date:2020-09-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.108 Å)
Cite:Structural insights into the promutagenic bypass of the major cisplatin-induced DNA lesion.
Biochem.J., 477, 2020
4ICQ
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BU of 4icq by Molmil
Structural basis for substrate recognition and reaction mechanism of bacterial aminopeptidase peps
Descriptor: Aminopeptidase PepS, ZINC ION
Authors:Ta, M.H, Kim, K.K, Lee, S.
Deposit date:2012-12-11
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-based elucidation of the regulatory mechanism for aminopeptidase activity.
Acta Crystallogr.,Sect.D, 69, 2013
7TYD
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BU of 7tyd by Molmil
Crystal structure of FGFR4 domain 3 in complex with a de novo-designed mini-binder in P21 space group
Descriptor: Binder, Fibroblast growth factor receptor 4
Authors:Park, J.S, Lee, S.
Deposit date:2022-02-12
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Isoform-specific inhibition of FGFR signaling achieved by a de-novo-designed mini-protein.
Cell Rep, 41, 2022
4ZQS
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BU of 4zqs by Molmil
New compact conformation of linear Ub2 structure
Descriptor: ubiquitin
Authors:Thach, T.T, Shin, D, Han, S, Lee, S.
Deposit date:2015-05-11
Release date:2016-04-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:New conformations of linear polyubiquitin chains from crystallographic and solution-scattering studies expand the conformational space of polyubiquitin.
Acta Crystallogr D Struct Biol, 72, 2016
6UI2
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BU of 6ui2 by Molmil
Structure of human DNA polymerase eta complexed with N7MG in the template base paired with incoming non-hydrolyzable CTP
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(FMG)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Koag, M.C, Lee, S.
Deposit date:2019-09-30
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Bypass of the Major Alkylative DNA Lesion by Human DNA Polymerase eta.
Molecules, 24, 2019
6UQI
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BU of 6uqi by Molmil
Crystal structure of Q38A human DNA polymerase eta bound with 8-oxoadenine (oxoA) and non-hydrolyzable dGTP analog (dGTP*)
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(A38)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Jung, H, Lee, S.
Deposit date:2019-10-19
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Q38A human DNA polymerase eta bound with 8-oxoadenine (oxoA) and non-hydrolyzable dGTP analog (dGTP*)
To Be Published

221051

數據於2024-06-12公開中

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