5GMR
 
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3MYG
 | | Aurora A Kinase complexed with SCH 1473759 | | Descriptor: | 2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol, Serine/threonine-protein kinase 6, TETRAETHYLENE GLYCOL | | Authors: | Hruza, A, Prosis, W, Ramanathan, L. | | Deposit date: | 2010-05-10 | | Release date: | 2010-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Potent, Injectable Inhibitor of Aurora Kinases Based on the Imidazo-[1,2-a]-Pyrazine Core.
ACS Med Chem Lett, 1, 2010
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8W6A
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5C0S
 | | Crystal structure of a generation 4 influenza hemagglutinin stabilized stem in complex with the broadly neutralizing antibody CR6261 | | Descriptor: | CR6261 antibody heavy chain, CR6261 antibody light chain, Hemagglutinin, ... | | Authors: | Boyington, J.C, Kwong, P.D, Nabel, G.J, Mascola, J.R. | | Deposit date: | 2015-06-12 | | Release date: | 2015-09-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | Hemagglutinin-stem nanoparticles generate heterosubtypic influenza protection.
Nat. Med., 21, 2015
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8W6B
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1AX8
 | | Human obesity protein, leptin | | Descriptor: | OBESITY PROTEIN | | Authors: | Zhang, F, Beals, J.M, Briggs, S.L, Clawson, D.K, Wery, J.-P, Schevitz, R.W. | | Deposit date: | 1997-10-31 | | Release date: | 1998-11-25 | | Last modified: | 2012-05-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the obese protein leptin-E100.
Nature, 387, 1997
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6D45
 | | L89S Mutant of FeBMb Sperm Whale Myoglobin | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bhagi-Damodaran, A, Mirts, E.N, Sandoval, B, Lu, Y. | | Deposit date: | 2018-04-17 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.779 Å) | | Cite: | Heme redox potentials hold the key to reactivity differences between nitric oxide reductase and heme-copper oxidase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4NFN
 | | Human tau tubulin kinase 1 (TTBK1) complexed with 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol | | Descriptor: | 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol, SULFATE ION, Tau-tubulin kinase 1 | | Authors: | Sheriff, S. | | Deposit date: | 2013-10-31 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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3AQT
 | | CRYSTAL STRUCTURE OF RolR (NCGL1110) complex WITH ligand RESORCINOL | | Descriptor: | Bacterial regulatory proteins, tetR family, RESORCINOL | | Authors: | Li, D.F, Zhang, N, Hou, Y.J, Liu, S.J, Wang, D.C. | | Deposit date: | 2010-11-18 | | Release date: | 2011-07-06 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of the transcriptional repressor RolR reveals a novel recognition mechanism between inducer and regulator.
Plos One, 6, 2011
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4NFM
 | | Human tau tubulin kinase 1 (TTBK1) | | Descriptor: | GLYCEROL, Tau-tubulin kinase 1 | | Authors: | Sheriff, S. | | Deposit date: | 2013-10-31 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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8XVJ
 | | Cryo-EM structure of ETAR bound with Macitentan | | Descriptor: | 6-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-5-(4-bromophenyl)-~{N}-(propylsulfamoyl)pyrimidin-4-amine, Endoglucanase H,Endothelin-1 receptor,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, ... | | Authors: | Hou, J.Y, Liu, S.H, Wu, L.J, Liu, Z.J, Hua, T. | | Deposit date: | 2024-01-15 | | Release date: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structural basis of antagonist selectivity in endothelin receptors.
Cell Discov, 10, 2024
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8XVK
 | | Cryo-EM structure of ETAR bound with Ambrisentan | | Descriptor: | (2~{S})-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoic acid, Endoglucanase H,Endothelin-1 receptor,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, ... | | Authors: | Hou, J.Y, Liu, S.H, Wu, L.J, Liu, Z.J, Hua, T. | | Deposit date: | 2024-01-15 | | Release date: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structural basis of antagonist selectivity in endothelin receptors.
Cell Discov, 10, 2024
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8XVL
 | | Cryo-EM structure of ETAR bound with Zibotentan | | Descriptor: | Endoglucanase H,Endothelin-1 receptor,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, anti-BRIL Fab Light chain, ... | | Authors: | Hou, J.Y, Liu, S.H, Wu, L.J, Liu, Z.J, Hua, T. | | Deposit date: | 2024-01-15 | | Release date: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Structural basis of antagonist selectivity in endothelin receptors.
Cell Discov, 10, 2024
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8XVI
 | | Cryo-EM structure of ETAR bound with Endothelin1 | | Descriptor: | Endoglucanase H,Endothelin-1 receptor, Endothelin-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Hou, J.Y, Liu, S.H, Wu, L.J, Liu, Z.J, Hua, T. | | Deposit date: | 2024-01-15 | | Release date: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Structural basis of antagonist selectivity in endothelin receptors.
Cell Discov, 10, 2024
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8XVH
 | | Cryo-EM structure of ETBR bound with Endothelin1 | | Descriptor: | Endothelin-1, Exo-alpha-sialidase,Endothelin receptor type B, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Hou, J.Y, Liu, S.H, Wu, L.J, Liu, Z.J, Hua, T. | | Deposit date: | 2024-01-15 | | Release date: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structural basis of antagonist selectivity in endothelin receptors.
Cell Discov, 10, 2024
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8XVE
 | | Cryo-EM structure of ETBR bound with BQ3020 | | Descriptor: | BQ3020, Exo-alpha-sialidase,Endothelin receptor type B, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Hou, J.Y, Liu, S.H, Wu, L.J, Liu, Z.J, Hua, T. | | Deposit date: | 2024-01-15 | | Release date: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of antagonist selectivity in endothelin receptors.
Cell Discov, 10, 2024
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7YUB
 | | S1P-bound human SPNS2 | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, NbFab-H-chain, NbFab-L-chain, ... | | Authors: | He, Y, Duan, Y. | | Deposit date: | 2022-08-17 | | Release date: | 2023-09-06 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
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4K6H
 | | Crystal structure of CALB mutant L278M from Candida antarctica | | Descriptor: | 1,2-ETHANEDIOL, Lipase B | | Authors: | An, J, Xie, Y, Feng, Y, Wu, G. | | Deposit date: | 2013-04-15 | | Release date: | 2014-01-29 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Enhanced enzyme kinetic stability by increasing rigidity within the active site.
J.Biol.Chem., 289, 2014
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6A9F
 | | Crystal structure of a cyclase from Fischerella sp. TAU in complex with 4-(1H-Indol-3-yl)butan-2-one | | Descriptor: | 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, GLYCEROL, ... | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-07-13 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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4K6G
 | | Crystal structure of CALB from Candida antarctica | | Descriptor: | 1,2-ETHANEDIOL, Lipase B | | Authors: | An, J, Xie, Y, Feng, Y, Wu, G. | | Deposit date: | 2013-04-15 | | Release date: | 2014-01-29 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Enhanced enzyme kinetic stability by increasing rigidity within the active site.
J.Biol.Chem., 289, 2014
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6AGL
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3VF5
 | | Crystal Structure of HIV-1 Protease Mutant I47V with novel P1'-Ligands GRL-02031 | | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, ACETATE ION, CHLORIDE ION, ... | | Authors: | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | | Deposit date: | 2012-01-09 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
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6A99
 | | Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole | | Descriptor: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-07-12 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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6ADU
 | | Crystal structure of an enzyme in complex with ligand C | | Descriptor: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Tan, X.K, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-08-02 | | Release date: | 2019-08-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement.
Angew.Chem.Int.Ed.Engl., 57, 2018
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6AGM
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