1CAL
| STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II | Descriptor: | CARBONIC ANHYDRASE II, ZINC ION | Authors: | Xue, Y, Liljas, A, Jonsson, B.-H, Lindskog, S. | Deposit date: | 1992-09-17 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural analysis of the zinc hydroxide-Thr-199-Glu-106 hydrogen-bond network in human carbonic anhydrase II. Proteins, 17, 1993
|
|
1CAI
| STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II | Descriptor: | CARBONIC ANHYDRASE II, SULFATE ION, ZINC ION | Authors: | Xue, Y, Liljas, A, Jonsson, B.-H, Lindskog, S. | Deposit date: | 1992-09-17 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of the zinc hydroxide-Thr-199-Glu-106 hydrogen-bond network in human carbonic anhydrase II. Proteins, 17, 1993
|
|
4A5T
| STRUCTURAL BASIS FOR THE CONFORMATIONAL MODULATION | Descriptor: | CHLORIDE ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, PLASMINOGEN | Authors: | Xue, Y, Bodin, C, Olsson, K. | Deposit date: | 2011-10-28 | Release date: | 2012-05-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Crystal Structure of the Native Plasminogen Reveals an Activation-Resistant Compact Conformation. J. Thromb. Haemost., 10, 2012
|
|
3PZE
| JNK1 in complex with inhibitor | Descriptor: | 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide, Mitogen-activated protein kinase 8, SULFATE ION | Authors: | Xue, Y. | Deposit date: | 2010-12-14 | Release date: | 2011-12-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide (AZD7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas. J.Med.Chem., 55, 2012
|
|
5APH
| Ligand complex of RORg LBD | Descriptor: | DIMETHYL SULFOXIDE, N-(2-FLUOROPHENYL)-4-[(4-FLUOROPHENYL)SULFONYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-6-AMINE, NUCLEAR RECEPTOR COACTIVATOR 2, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2015-09-16 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma. ChemMedChem, 11, 2016
|
|
5APK
| Ligand complex of RORg LBD | Descriptor: | 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR ROR-GAMMA | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2015-09-16 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma. ChemMedChem, 11, 2016
|
|
5APJ
| Ligand complex of RORg LBD | Descriptor: | 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR COACTIVATOR 2, NUCLEAR RECEPTOR ROR-GAMMA, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2015-09-16 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma. ChemMedChem, 11, 2016
|
|
3PO1
| Thrombin in complex with Benzothiazole Guanidine | Descriptor: | ACETATE ION, SODIUM ION, Thrombin heavy chain, ... | Authors: | Xue, Y. | Deposit date: | 2010-11-21 | Release date: | 2011-11-23 | Last modified: | 2012-07-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of benzothiazole guanidines as novel inhibitors of thrombin and trypsin IV. Bioorg.Med.Chem.Lett., 22, 2012
|
|
5A86
| Structure of pregnane X receptor in complex with a Sphingosine 1- Phosphate Receptor 1 Antagonist | Descriptor: | 4-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide, NUCLEAR RECEPTOR COACTIVATOR 1, NUCLEAR RECEPTOR SUBFAMILY 1 GROUP I MEMBER 2 | Authors: | Xue, Y, Oster, L. | Deposit date: | 2015-07-13 | Release date: | 2015-10-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Identification and Optimization of Benzimidazole Sulfonamides as Orally Bioavailable Sphingosine 1-Phosphate Receptor 1 Antagonists with in Vivo Activity. J.Med.Chem., 58, 2015
|
|
5BN0
| A new HIV fusion peptide inhibitor | Descriptor: | Envelope glycoprotein, Envelope glycoprotein gp160 | Authors: | Xue, Y. | Deposit date: | 2015-05-25 | Release date: | 2016-05-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A new HIV fusion peptide inhibitor To Be Published
|
|
4X80
| Crystal Structure of murine 7B4 Fab monoclonal antibody against ADAMTS5 | Descriptor: | IgG1 7B4 FAB Heavy chain, IgG1 7B4 FAB Light Chain | Authors: | Larkin, J, Lohr, T.A, Elefante, L, Shearin, J, Matico, R, Su, J.-L, Xue, Y, Liu, F, Genell, C, Miller, R.E, Tran, P.B, Malfait, A.-M, Maier, C.C, Matheny, C.J. | Deposit date: | 2014-12-09 | Release date: | 2015-04-08 | Last modified: | 2015-08-05 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Translational development of an ADAMTS-5 antibody for osteoarthritis disease modification. Osteoarthr. Cartil., 23, 2015
|
|
4X8J
| Crystal Structure of murine 12F4 Fab monoclonal antibody against ADAMTS5 | Descriptor: | 12F4 FAB Heavy chain, 12F4 FAB Light chain, NONAETHYLENE GLYCOL, ... | Authors: | Larkin, J, Lohr, T.A, Elefante, L, Shearin, J, Matico, R, Su, J.-L, Xue, Y, Liu, F, Genell, C, Miller, R.E, Tran, P.B, Malfait, A.-M, Maier, C.C, Matheny, C.J. | Deposit date: | 2014-12-10 | Release date: | 2015-04-08 | Last modified: | 2015-08-05 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Translational development of an ADAMTS-5 antibody for osteoarthritis disease modification. Osteoarthr. Cartil., 23, 2015
|
|
1SPI
| CRYSTAL STRUCTURE OF SPINACH CHLOROPLAST FRUCTOSE-1,6-BISPHOSPHATASE AT 2.8 ANGSTROMS RESOLUTION | Descriptor: | FRUCTOSE 1,6-BISPHOSPHATASE | Authors: | Villeret, V, Huang, S, Zhang, Y, Xue, Y, Lipscomb, W.N. | Deposit date: | 1994-12-14 | Release date: | 1995-02-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of spinach chloroplast fructose-1,6-bisphosphatase at 2.8 A resolution. Biochemistry, 34, 1995
|
|
3CIV
| |
1FNK
| CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88K/R90S | Descriptor: | PROTEIN (CHORISMATE MUTASE) | Authors: | Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D. | Deposit date: | 2000-08-22 | Release date: | 2000-10-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A strategically positioned cation is crucial for efficient catalysis by chorismate mutase. J.Biol.Chem., 275, 2000
|
|
1FNJ
| CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88S/R90K | Descriptor: | PROTEIN (CHORISMATE MUTASE) | Authors: | Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D. | Deposit date: | 2000-08-22 | Release date: | 2000-10-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A strategically positioned cation is crucial for efficient catalysis by chorismate mutase. J.Biol.Chem., 275, 2000
|
|
1GR7
| Crystal structure of the double mutant Cys3Ser/Ser100Pro from Pseudomonas Aeruginosa at 1.8 A resolution | Descriptor: | AZURIN, COPPER (II) ION | Authors: | Okvist, M, Bonander, N, Sandberg, A, Karlsson, B.G, Krengel, U, Xue, Y, Sjolin, L. | Deposit date: | 2001-12-14 | Release date: | 2002-05-16 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the double azurin mutant Cys3Ser/Ser100Pro from Pseudomonas aeruginosa at 1.8 A resolution: its folding-unfolding energy and unfolding kinetics. Biochim.Biophys.Acta, 1596, 2002
|
|
5L7E
| MCR IN COMPLEX WITH ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Edman, K, Aagaard, A, Backstrom, S, Xue, Y. | Deposit date: | 2016-06-03 | Release date: | 2016-12-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity. ChemMedChem, 12, 2017
|
|
5L7G
| MCR IN COMPLEX WITH ligand | Descriptor: | 1,2-ETHANEDIOL, Mineralocorticoid receptor, NCOA1 peptide, ... | Authors: | Edman, K, Aagaard, A, Backstrom, S, Xue, Y. | Deposit date: | 2016-06-03 | Release date: | 2016-12-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity. ChemMedChem, 12, 2017
|
|
1Q5K
| crystal structure of Glycogen synthase kinase 3 in complexed with inhibitor | Descriptor: | Glycogen synthase kinase-3 beta, N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-THIAZOL-2-YL)UREA | Authors: | Bhat, R, Xue, Y, Berg, S, Hellberg, S, Ormo, M, Nilsson, Y, Radesater, A.C, Jerning, E, Markgren, P.O, Borgegard, T, Nylof, M, Gimenez-Cassina, A, Hernandez, F, Lucas, J.J, Diaz-Mido, J, Avila, J. | Deposit date: | 2003-08-08 | Release date: | 2004-08-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural insights and biological effects of glycogen synthase kinase 3-specific inhibitor AR-A014418. J.Biol.Chem., 278, 2003
|
|
5UZD
| Insights into Watson-Crick/Hoogsteen Breathing Dynamics and Damage Repair from the Solution Structure and Dynamic Ensemble of DNA Duplexes containing m1A - A2-DNA structure | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*CP*GP*AP*TP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*AP*TP*CP*GP*AP*TP*GP*C)-3') | Authors: | Sathyamoorthy, B, Shi, H, Xue, Y, Al-Hashimi, H.M. | Deposit date: | 2017-02-26 | Release date: | 2017-04-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Insights into Watson-Crick/Hoogsteen breathing dynamics and damage repair from the solution structure and dynamic ensemble of DNA duplexes containing m1A. Nucleic Acids Res., 45, 2017
|
|
5UZF
| Insights into Watson-Crick/Hoogsteen Breathing Dynamics and Damage Repair from the Solution Structure and Dynamic Ensemble of DNA Duplexes containing m1A - A6-DNA structure | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*TP*TP*TP*TP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*AP*AP*AP*AP*AP*TP*CP*G)-3') | Authors: | Sathyamoorthy, B, Shi, H, Xue, Y, Al-Hashimi, H.M. | Deposit date: | 2017-02-26 | Release date: | 2017-04-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Insights into Watson-Crick/Hoogsteen breathing dynamics and damage repair from the solution structure and dynamic ensemble of DNA duplexes containing m1A. Nucleic Acids Res., 45, 2017
|
|
5UZI
| Insights into Watson-Crick/Hoogsteen Breathing Dynamics and Damage Repair from the Solution Structure and Dynamic Ensemble of DNA Duplexes containing m1A - A6-DNAm1A16 structure | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*TP*TP*TP*TP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*(M1A)P*AP*AP*AP*AP*AP*TP*CP*G)-3') | Authors: | Sathyamoorthy, B, Shi, H, Xue, Y, Al-Hashimi, H.M. | Deposit date: | 2017-02-26 | Release date: | 2017-04-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Insights into Watson-Crick/Hoogsteen breathing dynamics and damage repair from the solution structure and dynamic ensemble of DNA duplexes containing m1A. Nucleic Acids Res., 45, 2017
|
|
6PT0
| Cryo-EM structure of human cannabinoid receptor 2-Gi protein in complex with agonist WIN 55,212-2 | Descriptor: | CHOLESTEROL, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Xu, T.H, Xing, C, Zhuang, Y, Feng, Z, Zhou, X.E, Chen, M, Wang, L, Meng, X, Xue, Y, Wang, J, Liu, H, McGuire, T, Zhao, G, Melcher, K, Zhang, C, Xu, H.E, Xie, X.Q. | Deposit date: | 2019-07-14 | Release date: | 2020-02-12 | Last modified: | 2020-03-04 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM Structure of the Human Cannabinoid Receptor CB2-GiSignaling Complex. Cell, 180, 2020
|
|
1KOP
| NEISSERIA GONORRHOEAE CARBONIC ANHYDRASE | Descriptor: | AZIDE ION, BETA-MERCAPTOETHANOL, CARBONIC ANHYDRASE, ... | Authors: | Huang, S, Xue, Y, Chirica, L, Lindskog, S, Jonsson, B.-H. | Deposit date: | 1998-03-22 | Release date: | 1998-12-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae and its complex with the inhibitor acetazolamide. J.Mol.Biol., 283, 1998
|
|