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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
5IMX
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BU of 5imx by Molmil
Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
Descriptor: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
Authors:Wang, C, Zhang, P, Dong, J.
Deposit date:2016-03-07
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
7DMW
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BU of 7dmw by Molmil
Crystal structure of CcpC regulatory domain in complex with citrate from Bacillus amyloliquefaciens
Descriptor: CITRATE ANION, CcpC
Authors:Chen, J, Wang, L, Shang, F, Liu, W, Chen, Y, Lan, J, Bu, T, Bai, X, Xu, Y.
Deposit date:2020-12-08
Release date:2021-10-27
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Functional and structural analysis of catabolite control protein C that responds to citrate.
Sci Rep, 11, 2021
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
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:2024-06-19
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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
8HE9
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BU of 8he9 by Molmil
Crystal structure of CTSB in complex with K777
Descriptor: Cathepsin B, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-07
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HD8
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BU of 8hd8 by Molmil
Crystal structure of TMPRSS2 in complex with 212-148
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ...
Authors:Wang, H, Liu, X, Sun, L, Yang, H.
Deposit date:2022-11-03
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HFV
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BU of 8hfv by Molmil
Crystal structure of CTSL in complex with K777
Descriptor: CACODYLATE ION, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, Procathepsin L, ...
Authors:Wang, H, Shao, M, Sun, L, Yang, H.
Deposit date:2022-11-12
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HEN
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BU of 8hen by Molmil
Crystal structure of CTSB in complex with 212-148
Descriptor: 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ...
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
5E6A
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BU of 5e6a by Molmil
Glucocorticoid receptor DNA binding domain - PLAU NF-kB response element complex
Descriptor: DNA (5'-D(*AP*TP*CP*AP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*TP*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 (2.197 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
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
8J69
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BU of 8j69 by Molmil
Crystal structure of HORMA domain-containing protein 1 (HORMAD1) from Homo sapiens
Descriptor: HORMA domain-containing protein 1
Authors:Yang, X.Y, Liu, X.H.
Deposit date:2023-04-25
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural and biochemical insights into the interaction mechanism underlying HORMAD1 and its partner proteins.
Structure, 31, 2023
7XPN
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BU of 7xpn by Molmil
Structure of the Spring Viraemia of Carp Virus Nucleoprotein
Descriptor: Nucleoprotein
Authors:Wang, Z.X, Liu, B, Zhang, Y.A, Ouyang, S.Y.
Deposit date:2022-05-04
Release date:2023-05-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.98 Å)
Cite:Structure of the Spring Viraemia of Carp Virus Ribonucleoprotein Complex Reveals Its Assembly Mechanism and Application in Antiviral Drug Screening.
J.Virol., 97, 2023
8E4Y
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BU of 8e4y by Molmil
Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with 2-oxohexadecyl-CoA
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, Glycerol-3-phosphate acyltransferase 1, mitochondrial, ...
Authors:Johnson, Z.L, Wasilko, D.J, Ammirati, M, Chang, J.S, Han, S, Wu, H.
Deposit date:2022-08-19
Release date:2022-12-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of the acyl-transfer mechanism of human GPAT1.
Nat.Struct.Mol.Biol., 30, 2023
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:2024-01-31
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
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
8V4U
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BU of 8v4u by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
Descriptor: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
Authors:Greasley, S.E, Ferre, R.A, Liu, W.
Deposit date:2023-11-29
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:A Second-Generation Oral SARS-CoV-2 Main Protease Inhibitor Clinical Candidate for the Treatment of COVID-19.
J.Med.Chem., 2024
4MPZ
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BU of 4mpz by Molmil
Crystal structure of TCP10c domain of Drosophila melanogaster Sas-4
Descriptor: IMIDAZOLE, Sas-4
Authors:Li, H, Zheng, X.
Deposit date:2013-09-14
Release date:2014-01-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:The conserved TCP domain of Sas-4/CPAP is essential for Peri-centriolar material tethering during centrosome biogenesis
Proc.Natl.Acad.Sci.USA, 2014
5ZZ9
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BU of 5zz9 by Molmil
Crystal structure of Homer2 EVH1/Drebrin PPXXF complex
Descriptor: Homer protein homolog 2, Peptide from Drebrin
Authors:Li, Z, Liu, H, Li, J, Liu, W, Zhang, M.
Deposit date:2018-05-31
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Homer Tetramer Promotes Actin Bundling Activity of Drebrin.
Structure, 27, 2019

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