5OE9
| Structure of large terminase from the thermophilic bacteriophage D6E in complex with sulfate (Crystal form 2) | Descriptor: | Large subunit terminase, SULFATE ION | Authors: | Xu, R.G, Jenkins, H.T, Greive, S.J, Antson, A.A. | Deposit date: | 2017-07-07 | Release date: | 2017-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the large terminase from a hyperthermophilic virus reveals a unique mechanism for oligomerization and ATP hydrolysis. Nucleic Acids Res., 45, 2017
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5OEB
| Structure of large terminase from the thermophilic bacteriophage D6E in complex with ADP (Crystal form 3) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Large subunit terminase, MAGNESIUM ION | Authors: | Xu, R.G, Jenkins, H.T, Greive, S.J, Antson, A.A. | Deposit date: | 2017-07-07 | Release date: | 2017-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the large terminase from a hyperthermophilic virus reveals a unique mechanism for oligomerization and ATP hydrolysis. Nucleic Acids Res., 45, 2017
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5OE8
| Structure of large terminase from the thermophilic bacteriophage D6E (Crystal form 2) | Descriptor: | CHLORIDE ION, Large subunit terminase | Authors: | Xu, R.G, Jenkins, H.T, Greive, S.J, Antson, A.A. | Deposit date: | 2017-07-07 | Release date: | 2017-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the large terminase from a hyperthermophilic virus reveals a unique mechanism for oligomerization and ATP hydrolysis. Nucleic Acids Res., 45, 2017
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2CSN
| BINARY COMPLEX OF CASEIN KINASE-1 WITH CKI7 | Descriptor: | CASEIN KINASE-1, N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE, SULFATE ION | Authors: | Xu, R.-M, Cheng, X. | Deposit date: | 1995-10-11 | Release date: | 1996-03-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for selectivity of the isoquinoline sulfonamide family of protein kinase inhibitors. Proc.Natl.Acad.Sci.USA, 93, 1996
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2FDD
| Crystal structure of HIV protease D545701 bound with GW0385 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE, Gag-Pol polyprotein | Authors: | Xu, R.X. | Deposit date: | 2005-12-13 | Release date: | 2006-02-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: The discovery of GW0385. Bioorg.Med.Chem.Lett., 16, 2006
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2FDE
| Wild type HIV protease bound with GW0385 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE, Gag-Pol polyprotein, POTASSIUM ION | Authors: | Xu, R.X. | Deposit date: | 2005-12-13 | Release date: | 2006-02-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: The discovery of GW0385. Bioorg.Med.Chem.Lett., 16, 2006
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1BM8
| DNA-BINDING DOMAIN OF MBP1 | Descriptor: | TRANSCRIPTION FACTOR MBP1 | Authors: | Xu, R.-M, Koch, C, Liu, Y, Horton, J.R, Knapp, D, Nasmyth, K, Cheng, X. | Deposit date: | 1998-07-29 | Release date: | 1999-03-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Crystal structure of the DNA-binding domain of Mbp1, a transcription factor important in cell-cycle control of DNA synthesis. Structure, 5, 1997
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1CSN
| BINARY COMPLEX OF CASEIN KINASE-1 WITH MGATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CASEIN KINASE-1, MAGNESIUM ION, ... | Authors: | Xu, R.-M, Cheng, X. | Deposit date: | 1995-04-25 | Release date: | 1995-07-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of casein kinase-1, a phosphate-directed protein kinase. EMBO J., 14, 1995
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4HG4
| Crystal structure of Fab 2G1 in complex with a H2N2 influenza virus hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 2G1 heavy chain, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2012-10-06 | Release date: | 2013-02-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A recurring motif for antibody recognition of the receptor-binding site of influenza hemagglutinin. Nat.Struct.Mol.Biol., 20, 2013
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2H0D
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1XVP
| crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid and CITCO | Descriptor: | 6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ... | Authors: | Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T. | Deposit date: | 2004-10-28 | Release date: | 2004-12-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer. Mol.Cell, 16, 2004
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1UP1
| UP1, THE TWO RNA-RECOGNITION MOTIF DOMAIN OF HNRNP A1 | Descriptor: | HETEROGENEOUS NUCLEAR RIBONUCLEOPROTEIN A1 | Authors: | Xu, R.-M, Jokhan, L, Cheng, X, Mayeda, A, Krainer, A.R. | Deposit date: | 1997-03-12 | Release date: | 1997-09-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human UP1, the domain of hnRNP A1 that contains two RNA-recognition motifs. Structure, 5, 1997
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3QKM
| Spirocyclic sulfonamides as AKT inhibitors | Descriptor: | N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase | Authors: | Xu, R, Banka, A, Blake, J.F, Mitchell, I.S, Wallace, E.M, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J. | Deposit date: | 2011-02-01 | Release date: | 2011-04-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of spirocyclic sulfonamides as potent Akt inhibitors with exquisite selectivity against PKA. Bioorg.Med.Chem.Lett., 21, 2011
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3QQB
| Crystal structure of HA2 R106H mutant of H2 hemagglutinin, neutral pH form | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2011-02-15 | Release date: | 2011-03-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Characterization of an Early Fusion Intermediate of Influenza Virus Hemagglutinin. J.Virol., 85, 2011
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6C7E
| Crystal structure of human phosphodiesterase 2A with 1-(2-chlorophenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | Descriptor: | 1-(2-chlorophenyl)-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... | Authors: | Xu, R, Aertgeerts, K. | Deposit date: | 2018-01-22 | Release date: | 2018-08-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
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6C7D
| Crystal structure of human phosphodiesterase 2A with N-(1-adamantyl)-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | Descriptor: | 1-(2-chlorophenyl)-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... | Authors: | Xu, R, Aertgeerts, K. | Deposit date: | 2018-01-22 | Release date: | 2018-08-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
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2P54
| a crystal structure of PPAR alpha bound with SRC1 peptide and GW735 | Descriptor: | 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha | Authors: | Xu, R.X, Xu, H.E, Sierra, M.L, Montana, V.G, Lambert, M.H, Pianetti, P.M. | Deposit date: | 2007-03-14 | Release date: | 2007-04-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Substituted 2-[(4-Aminomethyl)phenoxy]-2-methylpropionic Acid PPAR Agonists. 1.Discovery of a Novel Series of Potent HDLc Raising Agents. J.Med.Chem., 50, 2007
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6C7I
| Crystal structure of human phosphodiesterase 2A with 1-(2-chloro-5-methoxy-phenyl)-N-isobutyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | Descriptor: | 1-(2-chloro-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... | Authors: | Xu, R, Aertgeerts, K. | Deposit date: | 2018-01-22 | Release date: | 2018-08-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.713 Å) | Cite: | Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
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6C7J
| Crystal structure of human phosphodiesterase 2A with 1-(5-tert-butoxy-2-chloro-phenyl)-N-isobutyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | Descriptor: | 1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... | Authors: | Xu, R, Aertgeerts, K. | Deposit date: | 2018-01-22 | Release date: | 2018-08-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
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6C7G
| Crystal structure of human phosphodiesterase 2A with N-(1-adamantyl)-1-(2-chloro-5-isobutoxy-phenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | Descriptor: | 1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... | Authors: | Xu, R, Aertgeerts, K. | Deposit date: | 2018-01-22 | Release date: | 2018-08-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
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6C7F
| Crystal structure of human phosphodiesterase 2A with 1-(2-chloro-5-isobutoxy-phenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | Descriptor: | 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... | Authors: | Xu, R, Aertgeerts, K. | Deposit date: | 2018-01-22 | Release date: | 2018-08-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018
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3QQE
| Crystal structure of HA2 R106H mutant of H2 hemagglutinin, re-neutralized form | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2011-02-15 | Release date: | 2011-03-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Characterization of an Early Fusion Intermediate of Influenza Virus Hemagglutinin. J.Virol., 85, 2011
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4MZE
| Crystal structure of hPIV3 hemagglutinin-neuraminidase, H552Q/Q559R mutant | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2013-09-30 | Release date: | 2013-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Interaction between the hemagglutinin-neuraminidase and fusion glycoproteins of human parainfluenza virus type III regulates viral growth in vivo. MBio, 4, 2013
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4HFU
| Crystal structure of Fab 8M2 in complex with a H2N2 influenza virus hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 8M2 heavy chain, Fab 8M2 light chain, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2012-10-05 | Release date: | 2013-02-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.106 Å) | Cite: | A recurring motif for antibody recognition of the receptor-binding site of influenza hemagglutinin. Nat.Struct.Mol.Biol., 20, 2013
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4HF5
| Crystal structure of Fab 8F8 in complex a H2N2 influenza virus hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 8F8 heavy chain, Fab 8F8 light chain, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2012-10-04 | Release date: | 2013-02-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | A recurring motif for antibody recognition of the receptor-binding site of influenza hemagglutinin. Nat.Struct.Mol.Biol., 20, 2013
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