4LVG
 
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-07-26 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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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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3E51
 | | Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | | Deposit date: | 2008-08-12 | | Release date: | 2009-08-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents.
Bioorg.Med.Chem.Lett., 18, 2008
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6J21
 | | Crystal structure of the human NK1 substance P receptor | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, Substance-P receptor,Endolysin | | Authors: | Chen, S, Lu, M, Zhang, H, Wu, B, Zhao, Q. | | Deposit date: | 2018-12-30 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
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6J20
 | | Crystal structure of the human NK1 substance P receptor | | Descriptor: | 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, Substance-P receptor,Endolysin | | Authors: | Chen, S, Lu, M, Zhang, H, Wu, B, Zhao, Q. | | Deposit date: | 2018-12-30 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
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7V4D
 | | Heparin-remodelled alpha-synuclein fibrils | | Descriptor: | Alpha-synuclein | | Authors: | Tao, Y.Q, Sun, Y.P, Xia, W.C, Zhao, Q.Y, Liu, C, Li, D. | | Deposit date: | 2021-08-12 | | Release date: | 2022-08-17 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Heparin-remodelled alpha-synuclein fibrils
To Be Published
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1DSZ
 | | STRUCTURE OF THE RXR/RAR DNA-BINDING DOMAIN HETERODIMER IN COMPLEX WITH THE RETINOIC ACID RESPONSE ELEMENT DR1 | | Descriptor: | DNA (5'-D(*CP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*G)-3'), RETINOIC ACID RECEPTOR ALPHA, ... | | Authors: | Rastinejad, F, Wagner, T, Zhao, Q, Khorasanizadeh, S. | | Deposit date: | 2000-01-10 | | Release date: | 2000-07-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the RXR-RAR DNA-binding complex on the retinoic acid response element DR1.
EMBO J., 19, 2000
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1XSD
 | | Crystal structure of the BlaI repressor in complex with DNA | | Descriptor: | 5'-D(P*TP*AP*CP*TP*AP*CP*AP*TP*AP*TP*GP*TP*AP*GP*TP*A)-3', penicillinase repressor | | Authors: | Safo, M.K, Ko, T.-P, Musayev, F.N, Zhao, Q, Robinson, H, Scarsdale, N, Wang, A.H.-J, Archer, G.L. | | Deposit date: | 2004-10-19 | | Release date: | 2005-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of the BlaI repressor from Staphylococcus aureus and its complex with DNA: insights into transcriptional regulation of the bla and mec operons
J.Bacteriol., 187, 2005
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6IIV
 | | Crystal structure of the human thromboxane A2 receptor bound to daltroban | | Descriptor: | 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid, CHOLESTEROL, GLYCEROL, ... | | Authors: | Fan, H, Zhao, Q, Wu, B. | | Deposit date: | 2018-10-07 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for ligand recognition of the human thromboxane A2receptor.
Nat. Chem. Biol., 15, 2019
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6IIU
 | | Crystal structure of the human thromboxane A2 receptor bound to ramatroban | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid, CHOLESTEROL, ... | | Authors: | Fan, H, Zhao, Q, Wu, B. | | Deposit date: | 2018-10-07 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for ligand recognition of the human thromboxane A2receptor.
Nat. Chem. Biol., 15, 2019
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1XRX
 | | Crystal structure of a DNA-binding protein | | Descriptor: | CALCIUM ION, SeqA protein | | Authors: | Guarne, A, Brendler, T, Zhao, Q, Ghirlando, R, Austin, S, Yang, W. | | Deposit date: | 2004-10-16 | | Release date: | 2005-05-10 | | Last modified: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of a SeqA-N filament: implications for DNA replication and chromosome organization.
Embo J., 24, 2005
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1ZKZ
 | | Crystal Structure of BMP9 | | Descriptor: | Growth/differentiation factor 2 | | Authors: | Brown, M.A, Zhao, Q, Baker, K.A, Naik, C, Chen, C, Pukac, L, Singh, M, Tsareva, T, Parice, Y, Mahoney, A, Roschke, V, Sanyal, I, Choe, S. | | Deposit date: | 2005-05-04 | | Release date: | 2005-05-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of BMP-9 and functional interactions with pro-region and receptors
J.Biol.Chem., 280, 2005
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6KG7
 | | Cryo-EM Structure of the Mammalian Tactile Channel Piezo2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Piezo-type mechanosensitive ion channel component 2 | | Authors: | Wang, L, Zhou, H, Zhang, M, Liu, W, Deng, T, Zhao, Q, Li, Y, Lei, J, Li, X, Xiao, B. | | Deposit date: | 2019-07-11 | | Release date: | 2019-09-04 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure and mechanogating of the mammalian tactile channel PIEZO2.
Nature, 573, 2019
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2AMD
 | | Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9 | | Descriptor: | 3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE | | Authors: | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | | Deposit date: | 2005-08-09 | | Release date: | 2005-09-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
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2AMQ
 | | Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3 | | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Authors: | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | | Deposit date: | 2005-08-10 | | Release date: | 2005-09-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
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7F8X
 | | Crystal structure of the cholecystokinin receptor CCKAR in complex with NN9056 | | Descriptor: | ASP-SMF-NLE-GLY-TRP-NLE-OEM-MEA-NH2 (NN9056), Cholecystokinin receptor type A,Endolysin | | Authors: | Zhang, X, He, C, Wang, M, Zhou, Q, Yang, D, Zhu, Y, Wu, B, Zhao, Q. | | Deposit date: | 2021-07-02 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of the human cholecystokinin receptors bound to agonists and antagonists.
Nat.Chem.Biol., 17, 2021
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2HOB
 | | Crystal structure of SARS-CoV main protease with authentic N and C-termini in complex with a Michael acceptor N3 | | Descriptor: | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, Replicase polyprotein 1ab | | Authors: | Xue, X, Yang, H, Shen, W, Zhao, Q, Li, J, Rao, Z. | | Deposit date: | 2006-07-14 | | Release date: | 2007-04-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction
J.Mol.Biol., 366, 2007
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7F8W
 | | Cryo-EM structure of the cholecystokinin receptor CCKBR in complex with gastrin-17 and Gq | | Descriptor: | Gastrin-17, Gastrin/cholecystokinin type B receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhang, X, He, C, Wang, M, Zhou, Q, Yang, D, Zhu, Y, Wu, B, Zhao, Q. | | Deposit date: | 2021-07-02 | | Release date: | 2021-10-13 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of the human cholecystokinin receptors bound to agonists and antagonists.
Nat.Chem.Biol., 17, 2021
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5ZKQ
 | | Crystal structure of the human platelet-activating factor receptor in complex with ABT-491 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide, Platelet-activating factor receptor,Endolysin,Endolysin,Platelet-activating factor receptor, ... | | Authors: | Cao, C, Zhao, Q, Zhang, X.C, Wu, B. | | Deposit date: | 2018-03-25 | | Release date: | 2018-06-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for signal recognition and transduction by platelet-activating-factor receptor.
Nat. Struct. Mol. Biol., 25, 2018
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7F8Y
 | | Crystal structure of the cholecystokinin receptor CCKAR in complex with devazepide | | Descriptor: | N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide, fusion protein of Cholecystokinin receptor type A and Endolysin | | Authors: | Zhang, X, He, C, Wang, M, Zhou, Q, Yang, D, Zhu, Y, Wu, B, Zhao, Q. | | Deposit date: | 2021-07-02 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of the human cholecystokinin receptors bound to agonists and antagonists.
Nat.Chem.Biol., 17, 2021
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7F8V
 | | Cryo-EM structure of the cholecystokinin receptor CCKBR in complex with gastrin-17 and Gi | | Descriptor: | Gastrin-17, Gastrin/cholecystokinin type B receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhang, X, He, C, Wang, M, Zhou, Q, Yang, D, Zhu, Y, Wu, B, Zhao, Q. | | Deposit date: | 2021-07-02 | | Release date: | 2021-10-13 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of the human cholecystokinin receptors bound to agonists and antagonists.
Nat.Chem.Biol., 17, 2021
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7F8U
 | | Crystal structure of the cholecystokinin receptor CCKAR in complex with lintitript | | Descriptor: | 2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid, Fusion protein of Cholecystokinin receptor type A and Endolysin | | Authors: | Zhang, X, He, C, Wang, M, Zhou, Q, Yang, D, Zhu, Y, Wu, B, Zhao, Q. | | Deposit date: | 2021-07-02 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of the human cholecystokinin receptors bound to agonists and antagonists.
Nat.Chem.Biol., 17, 2021
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5GJB
 | | Zika virus NS3 helicase in complex with ssRNA | | Descriptor: | NS3 helicase, RNA (5'-R(*AP*GP*AP*UP*CP*AP*A)-3') | | Authors: | Tian, H.L, Ji, X.Y, Yang, X.Y, Zhang, Z.X, Lu, Z.K, Yang, K.L, Chen, C, Zhao, Q, Chi, H, Mu, Z.Y, Xie, W, Wang, Z.F, Lou, H.Q, Yang, H.T, Rao, Z.H. | | Deposit date: | 2016-06-28 | | Release date: | 2016-07-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Structural basis of Zika virus helicase in recognizing its substrates
Protein Cell, 7, 2016
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5GJC
 | | Zika virus NS3 helicase in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, NS3 helicase | | Authors: | Tian, H.L, Ji, X.Y, Yang, X.Y, Zhang, Z.X, Lu, Z.K, Yang, K.L, Chen, C, Zhao, Q, Chi, H, Mu, Z.Y, Xie, W, Wang, Z.F, Lou, H.Q, Yang, H.T, Rao, Z.H. | | Deposit date: | 2016-06-28 | | Release date: | 2016-07-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.204 Å) | | Cite: | Structural basis of Zika virus helicase in recognizing its substrates
Protein Cell, 7, 2016
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5ZKP
 | | Crystal structure of the human platelet-activating factor receptor in complex with SR 27417 | | Descriptor: | FLAVIN MONONUCLEOTIDE, N1,N1-dimethyl-N2-[(pyridin-3-yl)methyl]-N2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine, Platelet-activating factor receptor,Flavodoxin,Platelet-activating factor receptor | | Authors: | Cao, C, Zhao, Q, Zhang, X.C, Wu, B. | | Deposit date: | 2018-03-25 | | Release date: | 2018-06-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Structural basis for signal recognition and transduction by platelet-activating-factor receptor.
Nat. Struct. Mol. Biol., 25, 2018
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