3PCU
 
 | | Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide | | Descriptor: | 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X. | | Deposit date: | 2010-10-22 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | (+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice.
Plos One, 7, 2012
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3NSQ
 | | Crystal structure of tetrameric RXRalpha-LBD complexed with antagonist danthron | | Descriptor: | 1,8-dihydroxyanthracene-9,10-dione, Retinoid X receptor, alpha | | Authors: | Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X. | | Deposit date: | 2010-07-02 | | Release date: | 2010-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor.
J.Biol.Chem., 286, 2011
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3NSP
 | | Crystal structure of tetrameric RXRalpha-LBD | | Descriptor: | Retinoid X receptor, alpha | | Authors: | Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X. | | Deposit date: | 2010-07-02 | | Release date: | 2010-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor.
J.Biol.Chem., 286, 2011
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7CZ5
 | | Cryo-EM structure of the human growth hormone-releasing hormone receptor-Gs protein complex | | Descriptor: | CHOLESTEROL, Growth hormone-releasing hormone receptor,growth hormone-releasing hormone receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhou, F, Zhang, H, Cong, Z, Zhao, L, Zhou, Q, Mao, C, Cheng, X, Shen, D, Cai, X, Ma, C, Wang, Y, Dai, A, Zhou, Y, Sun, W, Zhao, F, Zhao, S, Jiang, H, Jiang, Y, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | | Deposit date: | 2020-09-07 | | Release date: | 2020-11-18 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural basis for activation of the growth hormone-releasing hormone receptor.
Nat Commun, 11, 2020
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3ED0
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with emodin | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, BENZAMIDINE, ... | | Authors: | Zhang, L, Zhang, H, Liu, W, Guo, Y, Shen, X, Jiang, H. | | Deposit date: | 2008-09-02 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Emodin targets the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: enzymatic inhibition assay with crystal structural and thermodynamic characterization
BMC MICROBIOL., 9, 2009
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5BWO
 | | Crystal Structure of Human SIRT3 in Complex with a Palmitoyl H3K9 Peptide | | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, PALMITIC ACID, ... | | Authors: | Gai, W, Jiang, H, Liu, D. | | Deposit date: | 2015-06-08 | | Release date: | 2016-07-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.376 Å) | | Cite: | Crystal structures of SIRT3 reveal that the alpha 2-alpha 3 loop and alpha 3-helix affect the interaction with long-chain acyl lysine.
Febs Lett., 590, 2016
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3DZH
 | | Crystal structure of human CD38 extracellular domain, GTP complex | | Descriptor: | ADP-ribosyl cyclase 1, GUANOSINE-5'-TRIPHOSPHATE | | Authors: | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | | Deposit date: | 2008-07-29 | | Release date: | 2008-11-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
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3DZJ
 | | Crystal structure of human CD38 extracellular domain E226Q mutant, NMN complex | | Descriptor: | ADP-ribosyl cyclase 1, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | | Authors: | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | | Deposit date: | 2008-07-29 | | Release date: | 2008-11-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
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3DZK
 | | Crystal structure of human CD38 extracellular domain, NMN complex | | Descriptor: | ADP-ribosyl cyclase 1, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | | Authors: | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | | Deposit date: | 2008-07-29 | | Release date: | 2008-11-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
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3DZF
 | | Crystal structure of human CD38 extracellular domain complexed with a covalent intermediate, ara-F-ribose-5'-phosphate | | Descriptor: | 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1 | | Authors: | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | | Deposit date: | 2008-07-29 | | Release date: | 2008-11-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
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3DZI
 | | Crystal structure of human CD38 extracellular domain, ribose-5'-phosphate intermediate/GTP complex | | Descriptor: | 2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl 5-O-phosphono-beta-D-ribofuranoside, ADP-ribosyl cyclase 1, ANY 5'-MONOPHOSPHATE NUCLEOTIDE, ... | | Authors: | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | | Deposit date: | 2008-07-29 | | Release date: | 2008-11-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
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3DZG
 | | Crystal structure of human CD38 extracellular domain, ara-F-ribose-5'-phosphate/nicotinamide complex | | Descriptor: | 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1, NICOTINAMIDE | | Authors: | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | | Deposit date: | 2008-07-29 | | Release date: | 2008-11-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38.
Chem.Biol., 15, 2008
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5XF1
 | | Structure of the Full-length glucagon class B G protein-coupled receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B. | | Deposit date: | 2017-04-06 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
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3CF8
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with quercetin | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, BENZAMIDINE, ... | | Authors: | Zhang, L, Wu, D, Liu, W, Shen, X, Jiang, H. | | Deposit date: | 2008-03-03 | | Release date: | 2008-12-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay
Protein Sci., 17, 2008
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3CF9
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with apigenin | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, BENZAMIDINE, ... | | Authors: | Zhang, L, Wu, D, Liu, W, Shen, X, Jiang, H. | | Deposit date: | 2008-03-03 | | Release date: | 2008-12-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay
Protein Sci., 17, 2008
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2XI4
 | | Torpedo californica Acetylcholinesterase in Complex with Aflatoxin B1 (Orthorhombic Space Group) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, AFLATOXIN B1, ... | | Authors: | Sanson, B, Colletier, J.P, Xu, Y, Lang, P.T, Jiang, H, Silman, I, Sussman, J.L, Weik, M. | | Deposit date: | 2010-06-28 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Backdoor Opening Mechanism in Acetylcholinesterase Based on X-Ray Crystallography and Molecular Dynamics Simulations.
Protein Sci., 20, 2011
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3D04
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with sakuranetin | | Descriptor: | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one, (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, ... | | Authors: | Zhang, L, Kong, Y, Wu, D, Shen, X, Jiang, H. | | Deposit date: | 2008-05-01 | | Release date: | 2008-12-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay
Protein Sci., 17, 2008
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3R5N
 | | Crystal structure of PPARgammaLBD complexed with the agonist magnolol | | Descriptor: | 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol, Peroxisome proliferator-activated receptor gamma | | Authors: | Zhang, H, Chen, L, Chen, J, Hu, L, Jiang, H, Shen, X. | | Deposit date: | 2011-03-18 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular determinants of magnolol targeting both RXR(alpha) and PPAR(gamma).
Plos One, 6, 2011
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3R5M
 | | Crystal structure of RXRalphaLBD complexed with the agonist magnolol | | Descriptor: | 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Zhang, H, Chen, L, Chen, J, Hu, L, Jiang, H, Shen, X. | | Deposit date: | 2011-03-18 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular determinants of magnolol targeting both RXR(alpha) and PPAR(gamma).
Plos One, 6, 2011
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6M0K
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor 11b | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | | Deposit date: | 2020-02-22 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.504 Å) | | Cite: | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
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6LZE
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor 11a | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Zhang, B, Zhang, Y, Jing, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | | Deposit date: | 2020-02-19 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.505 Å) | | Cite: | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
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4FZ3
 | | Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin | | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ... | | Authors: | Liu, D, Wu, J, Zhang, D, Chen, K, Jiang, H, Liu, H. | | Deposit date: | 2012-07-06 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate
J.Med.Chem., 56, 2013
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7CMV
 | | Dopamine Receptor D3R-Gi-PD128907 complex | | Descriptor: | (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Xu, P, Huang, S, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H. | | Deposit date: | 2020-07-29 | | Release date: | 2021-03-10 | | Last modified: | 2021-04-07 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structures of the human dopamine D3 receptor-G i complexes.
Mol.Cell, 81, 2021
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7CMU
 | | Dopamine Receptor D3R-Gi-Pramipexole complex | | Descriptor: | (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Xu, P, Huang, S, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H. | | Deposit date: | 2020-07-29 | | Release date: | 2021-03-10 | | Last modified: | 2021-04-07 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structures of the human dopamine D3 receptor-G i complexes.
Mol.Cell, 81, 2021
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4NTJ
 | | Structure of the human P2Y12 receptor in complex with an antithrombotic drug | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12, ... | | Authors: | Zhang, K, Zhang, J, Gao, Z.-G, Zhang, D, Zhu, L, Han, G.W, Moss, S.M, Paoletta, S, Kiselev, E, Lu, W, Fenalti, G, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR) | | Deposit date: | 2013-12-02 | | Release date: | 2014-03-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structure of the human P2Y12 receptor in complex with an antithrombotic drug
Nature, 509, 2014
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