5U74
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![BU of 5u74 by Molmil](/molmil-images/mine/5u74) | Structure of human Niemann-Pick C1 protein | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, X. | Deposit date: | 2016-12-11 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.335 Å) | Cite: | 3.3 angstrom structure of Niemann-Pick C1 protein reveals insights into the function of the C-terminal luminal domain in cholesterol transport. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VQK
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![BU of 5vqk by Molmil](/molmil-images/mine/5vqk) | |
5VB3
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![BU of 5vb3 by Molmil](/molmil-images/mine/5vb3) | X-ray structure of nuclear receptor ROR-gammat Ligand Binding Domain + SRC2 peptide | Descriptor: | Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION | Authors: | Li, X. | Deposit date: | 2017-03-28 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 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
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5VB7
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![BU of 5vb7 by Molmil](/molmil-images/mine/5vb7) | X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an agonist and SRC2 peptide | Descriptor: | N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea, 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 (2.335 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
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5V5L
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![BU of 5v5l by Molmil](/molmil-images/mine/5v5l) | |
5VB6
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![BU of 5vb6 by Molmil](/molmil-images/mine/5vb6) | |
5VB5
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![BU of 5vb5 by Molmil](/molmil-images/mine/5vb5) | 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
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5WNG
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![BU of 5wng by Molmil](/molmil-images/mine/5wng) | |
5WNE
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![BU of 5wne by Molmil](/molmil-images/mine/5wne) | |
5V5M
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![BU of 5v5m by Molmil](/molmil-images/mine/5v5m) | |
5WNH
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![BU of 5wnh by Molmil](/molmil-images/mine/5wnh) | |
5VQL
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![BU of 5vql by Molmil](/molmil-images/mine/5vql) | |
5WNF
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![BU of 5wnf by Molmil](/molmil-images/mine/5wnf) | 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
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6A5M
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![BU of 6a5m by Molmil](/molmil-images/mine/6a5m) | Crystal structure of Arabidopsis thaliana SUVH6 in complex with SAM, form 2 | 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: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.301 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
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6A5N
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![BU of 6a5n by Molmil](/molmil-images/mine/6a5n) | 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
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6A5K
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![BU of 6a5k by Molmil](/molmil-images/mine/6a5k) | 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
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4QRD
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![BU of 4qrd by Molmil](/molmil-images/mine/4qrd) | Structure of Methionyl-tRNA Synthetase in complex with N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine | Descriptor: | MAGNESIUM ION, Methionyl-tRNA synthetase, N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine | Authors: | Li, X, Hilgers, M.T, Stidham, M, Brown-Driver, V, Shaw, K.J, Finn, J. | Deposit date: | 2014-06-30 | Release date: | 2015-07-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery and SAR of a Novel Series of Pyrimidine Antibacterials Targeting Methionyl-tRNA Synthetase to be published
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4QUV
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![BU of 4quv by Molmil](/molmil-images/mine/4quv) | Structure of an integral membrane delta(14)-sterol reductase | Descriptor: | Delta(14)-sterol reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, X, Blobel, G. | Deposit date: | 2014-07-12 | Release date: | 2014-10-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.743 Å) | Cite: | Structure of an integral membrane sterol reductase from Methylomicrobium alcaliphilum. Nature, 517, 2015
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7WJQ
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![BU of 7wjq by Molmil](/molmil-images/mine/7wjq) | Crystal structure of GSDMB in complex with Ipah7.8 | Descriptor: | Isoform 2 of Gasdermin-B, Probable E3 ubiquitin-protein ligase ipaH7.8 | Authors: | Li, X, Zhang, H, Yin, H. | Deposit date: | 2022-01-07 | Release date: | 2023-01-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Insights into the GSDMB-mediated cellular lysis and its targeting by IpaH7.8 Nat Commun, 14, 2023
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7EQH
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![BU of 7eqh by Molmil](/molmil-images/mine/7eqh) | |
7Y9I
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![BU of 7y9i by Molmil](/molmil-images/mine/7y9i) | Complex structure of AtYchF1 with ppGpp | Descriptor: | GUANOSINE-5',3'-TETRAPHOSPHATE, MAGNESIUM ION, Obg-like ATPase 1 | Authors: | Li, X, Chen, Z. | Deposit date: | 2022-06-24 | Release date: | 2023-07-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Co-crystalization reveals the interaction between AtYchF1 and ppGpp. Front Mol Biosci, 9, 2022
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7CR2
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![BU of 7cr2 by Molmil](/molmil-images/mine/7cr2) | human KCNQ2 in complex with retigabine | Descriptor: | Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | Deposit date: | 2020-08-12 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel. Cell Res., 31, 2021
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7CR1
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![BU of 7cr1 by Molmil](/molmil-images/mine/7cr1) | human KCNQ2 in complex with ztz240 | Descriptor: | N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | Deposit date: | 2020-08-12 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel. Cell Res., 31, 2021
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7CR4
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![BU of 7cr4 by Molmil](/molmil-images/mine/7cr4) | human KCNQ2-CaM in complex with ztz240 | Descriptor: | Calmodulin-3, N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | Deposit date: | 2020-08-12 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel. Cell Res., 31, 2021
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7CR7
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![BU of 7cr7 by Molmil](/molmil-images/mine/7cr7) | human KCNQ2-CaM in complex with retigabine | Descriptor: | Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | Deposit date: | 2020-08-12 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel. Cell Res., 31, 2021
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