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PDB: 630 results

5WNE
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BU of 5wne by Molmil
X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR
Descriptor: 3,4-dimethoxy-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)benzamide, GLYCEROL, Rho-associated protein kinase 1
Authors:Li, X.
Deposit date:2017-07-31
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Novel mechanism of Rho kinase selectivity: beyond the ATP pocket
To Be Published
5WNH
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BU of 5wnh by Molmil
X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR
Descriptor: (2R)-N-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide, Rho-associated protein kinase 1
Authors:Li, X.
Deposit date:2017-07-31
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Novel mechanism of Rho kinase selectivity: beyond the ATP pocket
To Be Published
5VQK
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BU of 5vqk by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with a inverse agonist and SRC2 peptide
Descriptor: 1-(4-fluorophenyl)-7-methoxy-N-{[4-(methylsulfamoyl)phenyl]methyl}-1H-pyrazolo[3,4-c]pyridine-4-carboxamide, Nuclear receptor ROR-gamma, SRC2 chimera
Authors:Li, X.
Deposit date:2017-05-09
Release date:2018-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with a inverse agonist and SRC2 peptide
To Be Published
5VB5
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BU of 5vb5 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
Descriptor: N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.226 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5WNF
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BU of 5wnf by Molmil
X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR
Descriptor: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1H-1,2,3-triazole-4-carboxamide, GLYCEROL, Rho-associated protein kinase 1
Authors:Li, X.
Deposit date:2017-07-31
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Novel mechanism of Rho kinase selectivity: beyond the ATP pocket
To Be Published
7VBQ
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BU of 7vbq by Molmil
Heterodimer structure of Fe(II)/(alpha)ketoglutarate-dependent dioxygenase TlxIJ
Descriptor: FE (III) ION, Fe(II)/(alpha)ketoglutarate-dependent dioxygenase TlxI, Fe(II)/(alpha)ketoglutarate-dependent dioxygenase TlxJ, ...
Authors:Li, X, Awakawa, T, Mori, T, Abe, I.
Deposit date:2021-09-01
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Heterodimeric Non-heme Iron Enzymes in Fungal Meroterpenoid Biosynthesis.
J.Am.Chem.Soc., 143, 2021
7VBR
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BU of 7vbr by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase TlxI
Descriptor: Fe(II)/(alpha)ketoglutarate-dependent dioxygenase TlxI
Authors:Li, X, Awakawa, T, Mori, T, Abe, I.
Deposit date:2021-09-01
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Heterodimeric Non-heme Iron Enzymes in Fungal Meroterpenoid Biosynthesis.
J.Am.Chem.Soc., 143, 2021
5V5L
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BU of 5v5l by Molmil
Crystal structure of HLA-B*5801 complex with HIV-1 gag derived peptide TW10
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-58 alpha chain, ...
Authors:Li, X, Wang, J.-H.
Deposit date:2017-03-14
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Crystal structure of HLA-B*5801 with a TW10 HIV Gag epitope reveals a novel mode of peptide presentation.
Cell. Mol. Immunol., 14, 2017
5VB6
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BU of 5vb6 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
Descriptor: N-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.041 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
6A5N
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BU of 6a5n by Molmil
Crystal structure of Arabidopsis thaliana SUVH6 in complex with methylated DNA
Descriptor: DNA (5'-D(*CP*AP*CP*TP*GP*CP*TP*GP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*GP*AP*GP*TP*AP*CP*TP*(5CM)P*AP*GP*CP*AP*GP*T)-3'), Histone-lysine N-methyltransferase, ...
Authors:Li, X, Du, J.
Deposit date:2018-06-24
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanistic insights into plant SUVH family H3K9 methyltransferases and their binding to context-biased non-CG DNA methylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6A5K
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BU of 6a5k by Molmil
Crystal structure of Arabidopsis thaliana SUVH6 in complex with SAM, form 1
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH6, S-ADENOSYLMETHIONINE, ...
Authors:Li, X, Du, J.
Deposit date:2018-06-24
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic insights into plant SUVH family H3K9 methyltransferases and their binding to context-biased non-CG DNA methylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8K2C
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BU of 8k2c by Molmil
Cryo-EM structure of the human 80S ribosome with Tigecycline
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Li, X, Wang, M, Cheng, J.
Deposit date:2023-07-12
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
7JI2
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BU of 7ji2 by Molmil
Crystal Structure of H2-Kb in complex with a OVA mutant peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J.
Deposit date:2020-07-22
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection.
Science, 371, 2021
8K2A
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BU of 8k2a by Molmil
Cryo-EM structure of the human 55S mitoribosome with Tigecycline
Descriptor: 12S rRNA, 16S rRNA, 39S ribosomal protein L22, ...
Authors:Li, X, Wang, M, Cheng, J.
Deposit date:2023-07-12
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
8K2B
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BU of 8k2b by Molmil
Cryo-EM structure of the human 39S mitoribosome with Tigecycline
Descriptor: 16s rRNA, 39S ribosomal protein L22, mitochondrial, ...
Authors:Li, X, Wang, M, Cheng, J.
Deposit date:2023-07-12
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
8HPE
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BU of 8hpe by Molmil
Crystal structure of Leucine dehydrogenase
Descriptor: GLYCEROL, Leucine dehydrogenase, SULFATE ION
Authors:Li, X, Song, W.
Deposit date:2022-12-12
Release date:2024-03-20
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine.
Chembiochem, 24, 2023
9F3D
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BU of 9f3d by Molmil
Single acyclic phosphonate nucleotide (S)-ZNA modification on DNA hairpin
Descriptor: C modifed (S)-ZNA
Authors:Li, X, Groaz, E, Herdewijn, P, Lescrinier, E.
Deposit date:2024-04-25
Release date:2024-06-05
Last modified:2024-07-10
Method:SOLUTION NMR
Cite:Impact of Single Acyclic Phosphonate Nucleotide (ZNA) Modifications on DNA Duplex Stability.
Chemistry, 30, 2024
8J45
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BU of 8j45 by Molmil
Crystal structure of a Pichia pastoris-expressed IsPETase variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Poly(ethylene terephthalate) hydrolase
Authors:Li, X, He, H.L, Long, X, Niu, D, Huang, J.-W, Chen, C.-C, Guo, R.-T.
Deposit date:2023-04-19
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Complete decomposition of poly(ethylene terephthalate) by crude PET hydrolytic enzyme produced in Pichia pastoris
Chem Eng J, 2023
2LEF
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BU of 2lef by Molmil
LEF1 HMG DOMAIN (FROM MOUSE), COMPLEXED WITH DNA (15BP), NMR, 12 STRUCTURES
Descriptor: DNA (5'-D(*CP*AP*CP*CP*CP*TP*TP*TP*GP*AP*AP*GP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*CP*TP*TP*CP*AP*AP*AP*GP*GP*GP*TP*G)-3'), PROTEIN (LYMPHOID ENHANCER-BINDING FACTOR)
Authors:Li, X, Love, J.J, Case, D.A, Wright, P.E.
Deposit date:1998-10-13
Release date:1998-10-21
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structural basis for DNA bending by the architectural transcription factor LEF-1.
Nature, 376, 1995
2FQD
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BU of 2fqd by Molmil
Crystal Structures of E. coli Laccase CueO under different copper binding situations
Descriptor: Blue copper oxidase cueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Li, X, Wei, Z, Zhang, M, Teng, M, Gong, W.
Deposit date:2006-01-18
Release date:2007-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of E. coli laccase CueO at different copper concentrations.
Biochem.Biophys.Res.Commun., 354, 2007
2FQE
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BU of 2fqe by Molmil
Crystal Structures of E. coli Laccase CueO under different copper binding situations
Descriptor: Blue copper oxidase cueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Li, X, Wei, Z, Zhang, M, Teng, M, Gong, W.
Deposit date:2006-01-18
Release date:2007-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structures of E. coli laccase CueO at different copper concentrations.
Biochem.Biophys.Res.Commun., 354, 2007
2FQG
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BU of 2fqg by Molmil
Crystal Structures of E. coli Laccase CueO under different copper binding situations
Descriptor: Blue copper oxidase cueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Li, X, Wei, Z, Zhang, M, Teng, M, Gong, W.
Deposit date:2006-01-18
Release date:2007-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of E. coli laccase CueO at different copper concentrations.
Biochem.Biophys.Res.Commun., 354, 2007
2FQF
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BU of 2fqf by Molmil
Crystal Structures of E. coli Laccase CueO under different copper binding situations
Descriptor: Blue copper oxidase cueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Li, X, Wei, Z, Zhang, M, Teng, M, Gong, W.
Deposit date:2006-01-18
Release date:2007-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of E. coli laccase CueO at different copper concentrations.
Biochem.Biophys.Res.Commun., 354, 2007
8HR6
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BU of 8hr6 by Molmil
leucine DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ from Bacillus thuringiensis
Descriptor: Leucine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Li, X, Song, W.
Deposit date:2022-12-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine.
Chembiochem, 24, 2023
9F3E
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BU of 9f3e by Molmil
Single acyclic phosphonate nucleotide (R)-ZNA modification on DNA duplex
Descriptor: C modified (R)-ZNA
Authors:Li, X, Groaz, E, Herdewyn, P, Lescrinier, E.
Deposit date:2024-04-25
Release date:2024-06-05
Last modified:2024-07-10
Method:SOLUTION NMR
Cite:Impact of Single Acyclic Phosphonate Nucleotide (ZNA) Modifications on DNA Duplex Stability.
Chemistry, 30, 2024

223532

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