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5E6B
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BU of 5e6b by Molmil
Glucocorticoid receptor DNA binding domain - RELB NF-kB response element complex
Descriptor: DNA (5'-D(*CP*CP*GP*GP*GP*GP*AP*AP*TP*TP*CP*CP*GP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*CP*GP*GP*AP*AP*TP*TP*CP*CP*CP*CP*GP*G)-3'), Glucocorticoid receptor, ...
Authors:Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A.
Deposit date:2015-10-09
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements.
Nat Commun, 9, 2018
5E69
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BU of 5e69 by Molmil
Glucocorticoid receptor DNA binding domain - IL8 NF-kB response element complex
Descriptor: DNA (5'-D(*AP*TP*CP*GP*TP*GP*GP*AP*AP*TP*TP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*AP*AP*TP*TP*CP*CP*AP*CP*GP*AP*T)-3'), Glucocorticoid receptor, ...
Authors:Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A.
Deposit date:2015-10-09
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements.
Nat Commun, 9, 2018
5E6D
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BU of 5e6d by Molmil
Glucocorticoid receptor DNA binding domain - ICAM1 NF-kB response element complex
Descriptor: DNA (5'-D(*GP*CP*TP*CP*CP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*GP*GP*AP*GP*C)-3'), Glucocorticoid receptor, ...
Authors:Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A.
Deposit date:2015-10-09
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements.
Nat Commun, 9, 2018
5E6C
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BU of 5e6c by Molmil
Glucocorticoid receptor DNA binding domain - CCL2 NF-kB response element complex
Descriptor: DNA (5'-D(*AP*GP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*CP*T)-3'), DNA (5'-D(*AP*GP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*CP*T)-3'), Glucocorticoid receptor, ...
Authors:Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A.
Deposit date:2015-10-09
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements.
Nat Commun, 9, 2018
8E50
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BU of 8e50 by Molmil
Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with CoA and palmitoyl-LPA
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, COENZYME A, Glycerol-3-phosphate acyltransferase 1, ...
Authors:Wasilko, D.J, Johnson, Z.L, Ammirati, M, Chang, J.S, Han, S, Wu, H.
Deposit date:2022-08-19
Release date:2022-12-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural basis of the acyl-transfer mechanism of human GPAT1.
Nat.Struct.Mol.Biol., 30, 2023
8DNT
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BU of 8dnt by Molmil
SARS-CoV-2 specific T cell receptor
Descriptor: Beta-2-microglobulin, MHC class I antigen alpha chain, Nucleoprotein, ...
Authors:Gallagher, D.T, Wu, D, Gowthaman, R, Pierce, B.G, Mariuzza, R.A, Weng, N.P.
Deposit date:2022-07-11
Release date:2023-07-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:SARS-CoV-2 infection establishes a stable and age-independent CD8 + T cell response against a dominant nucleocapsid epitope using restricted T cell receptors.
Nat Commun, 14, 2023
9AUK
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BU of 9auk by Molmil
Structure of SARS-CoV-2 Mpro mutant (A173V) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
9AUO
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BU of 9auo by Molmil
Structure of SARS-CoV-2 Mpro mutant (L50F,T304I)
Descriptor: 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.423 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
9AUN
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BU of 9aun by Molmil
Structure of SARS-CoV-2 Mpro mutant (T21I,T304I)
Descriptor: 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
8Z9M
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BU of 8z9m by Molmil
Cryo-EM structure of dimeric WDR11-FAM91A1 complex
Descriptor: Protein FAM91A1, WD repeat-containing protein 11
Authors:Jia, G.W, Deng, Q.H, Su, Z.M, Jia, D.
Deposit date:2024-04-23
Release date:2024-08-14
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The WDR11 complex is a receptor for acidic-cluster-containing cargo proteins.
Cell, 187, 2024
9AUL
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BU of 9aul by Molmil
Structure of SARS-CoV-2 Mpro mutant (A173V,T304I)) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.421 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
9AUJ
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BU of 9auj by Molmil
Structure of SARS-CoV-2 Mpro mutant (S144A) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.486 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
9AUM
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BU of 9aum by Molmil
Structure of SARS-CoV-2 Mpro mutant (T21I,S144A,T304I) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.539 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
8Y9C
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BU of 8y9c by Molmil
De novo design mini-binder in complex with TcdB4
Descriptor: De novo design Minibinder, Toxin B, ZINC ION
Authors:Lv, X.C, Lu, P.L.
Deposit date:2024-02-06
Release date:2024-08-28
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:De novo design of mini-protein binders broadly neutralizing Clostridioides difficile toxin B variants.
Nat Commun, 15, 2024
8Y9B
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BU of 8y9b by Molmil
TcdB1 in complex with mini-binder
Descriptor: De novo design mini-binder, Toxin B, ZINC ION
Authors:Lv, X.C, Lu, P.L.
Deposit date:2024-02-06
Release date:2024-08-28
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:De novo design of mini-protein binders broadly neutralizing Clostridioides difficile toxin B variants.
Nat Commun, 15, 2024
8HPM
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BU of 8hpm by Molmil
LpqY-SugABC in state 2
Descriptor: ABC sugar transporter, permease component, ABC transporter, ...
Authors:Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F.
Deposit date:2022-12-12
Release date:2023-09-06
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
8HPN
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BU of 8hpn by Molmil
LpqY-SugABC in state 3
Descriptor: ABC sugar transporter, permease component, ABC transporter, ...
Authors:Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F.
Deposit date:2022-12-12
Release date:2023-09-06
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (4.55 Å)
Cite:Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
8HPS
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BU of 8hps by Molmil
LpqY-SugABC in state 5
Descriptor: ABC sugar transporter, permease component, ABC transporter, ...
Authors:Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F.
Deposit date:2022-12-12
Release date:2023-09-06
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
8HPL
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BU of 8hpl by Molmil
LpqY-SugABC in state 1
Descriptor: ABC sugar transporter, permease component, ABC transporter, ...
Authors:Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F.
Deposit date:2022-12-12
Release date:2023-09-06
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (4.29 Å)
Cite:Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
8HPR
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BU of 8hpr by Molmil
LpqY-SugABC in state 4
Descriptor: ABC sugar transporter, permease component, ABC transporter, ...
Authors:Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F.
Deposit date:2022-12-12
Release date:2023-09-06
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
5UV5
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BU of 5uv5 by Molmil
Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase
Descriptor: 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-02-19
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase.
Antimicrob. Agents Chemother., 61, 2017
7YNX
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BU of 7ynx by Molmil
Crystal structure of Pirh2 bound to poly-Ala peptide
Descriptor: RING finger and CHY zinc finger domain-containing protein 1, SODIUM ION, SULFATE ION, ...
Authors:Dong, C, Yan, X, Li, Y.
Deposit date:2022-08-01
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Recognition of an Ala-rich C-degron by the E3 ligase Pirh2.
Nat Commun, 14, 2023
8YP3
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BU of 8yp3 by Molmil
Crystal structure of UDP-N-acetylglucosamine pyrophosphorylase from Spodoptera frugiperda in complex with UDP-GlcNAc
Descriptor: MAGNESIUM ION, SULFATE ION, UDP-N-acetylglucosamine diphosphorylase, ...
Authors:Lu, Q, Liu, T, Zhou, Y, Yang, Q.
Deposit date:2024-03-15
Release date:2024-08-07
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure and Inhibition of Insect UDP- N -acetylglucosamine Pyrophosphorylase: A Key Enzyme in the Hexosamine Biosynthesis Pathway.
J.Agric.Food Chem., 72, 2024
8HET
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BU of 8het by Molmil
Crystal structure of CTSL in complex with E64d
Descriptor: Procathepsin L, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Wang, H, Shao, M, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HEI
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BU of 8hei by Molmil
Crystal structure of CTSB in complex with E64d
Descriptor: Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023

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数据于2024-10-30公开中

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