6TPY
 
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6TPX
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6TQ2
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6TPZ
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | | Descriptor: | 1,2-ETHANEDIOL, 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4 | | Authors: | Chung, C. | | Deposit date: | 2019-12-15 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.299 Å) | | Cite: | Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
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6TQ1
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2VKR
 | | 3Fe-4S, 4Fe-4S plus Zn Acidianus ambivalens ferredoxin | | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ZINC ION, ... | | Authors: | Frazao, C, Aragao, D, Coelho, R, Leal, S.S, Gomes, C.M, Teixeira, M, Carrondo, M.A. | | Deposit date: | 2007-12-23 | | Release date: | 2008-03-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystallographic analysis of the intact metal centres [3Fe-4S](1+/0) and [4Fe-4S](2+/1+) in a Zn(2+) -containing ferredoxin.
FEBS Lett., 582, 2008
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3KVV
 | | Trapping of an oxocarbenium ion intermediate in UP crystals | | Descriptor: | 1,4-anhydro-D-erythro-pent-1-enitol, 5-FLUOROURACIL, SULFATE ION, ... | | Authors: | Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2009-11-30 | | Release date: | 2010-04-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
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3KU4
 | | Trapping of an oxocarbenium ion intermediate in UP crystals | | Descriptor: | SULFATE ION, Uridine phosphorylase | | Authors: | Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2009-11-26 | | Release date: | 2010-04-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
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3KUK
 | | Trapping of an oxocarbenium ion intermediate in UP crystals | | Descriptor: | 2'-DEOXYURIDINE, SULFATE ION, Uridine phosphorylase | | Authors: | Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2009-11-27 | | Release date: | 2010-04-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.783 Å) | | Cite: | Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
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3KVY
 | | Trapping of an oxocarbenium ion intermediate in UP crystals | | Descriptor: | 1,4-anhydro-D-erythro-pent-1-enitol, SULFATE ION, URACIL, ... | | Authors: | Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2009-11-30 | | Release date: | 2010-04-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
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3KVR
 | | Trapping of an oxocarbenium ion intermediate in UP crystals | | Descriptor: | 2,5-anhydro-4-deoxy-D-erythro-pent-4-enitol, 5-FLUOROURACIL, SULFATE ION, ... | | Authors: | Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2009-11-30 | | Release date: | 2010-04-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
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3HYF
 | | Crystal structure of HIV-1 RNase H p15 with engineered E. coli loop and active site inhibitor | | Descriptor: | 2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid, ACETATE ION, GLYCEROL, ... | | Authors: | Lansdon, E.B, Kirschberg, T.A. | | Deposit date: | 2009-06-22 | | Release date: | 2009-10-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | RNase H active site inhibitors of human immunodeficiency virus type 1 reverse transcriptase: design, biochemical activity, and structural information.
J.Med.Chem., 52, 2009
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2J38
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Senger, S, Convery, M.A, Chan, C, Watson, N.S. | | Deposit date: | 2006-08-18 | | Release date: | 2006-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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2J34
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Senger, S, Convery, M.A, Chan, C, Watson, N.S. | | Deposit date: | 2006-08-18 | | Release date: | 2006-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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4ALG
 | | N-Terminal Bromodomain of Human BRD2 With IBET-151 | | Descriptor: | 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, ACETATE ION, BROMODOMAIN-CONTAINING PROTEIN 2, ... | | Authors: | Chung, C, Lamotte, Y, Donche, F, Bouillot, A, Mirguet, O. | | Deposit date: | 2012-03-03 | | Release date: | 2012-07-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification of a Novel Series of Bet Family Bromodomain Inhibitors: Binding Mode and Profile of I-Bet151 (Gsk1210151A).
Bioorg.Med.Chem.Lett., 22, 2012
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4AKN
 | | N-Terminal Bromodomain of Human BRD2 With tbutyl-phenyl-amino- dimethyl-oxazolyl-quinoline-carboxylic acid | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 2, ... | | Authors: | Chung, C, Lamotte, Y, Donche, F, Bouillot, A, Mirguet, O. | | Deposit date: | 2012-02-26 | | Release date: | 2012-07-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Identification of a Novel Series of Bet Family Bromodomain Inhibitors: Binding Mode and Profile of I-Bet151 (Gsk1210151A).
Bioorg.Med.Chem.Lett., 22, 2012
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3SRV
 | | Crystal structure of spleen tyrosine kinase (SYK) in complex with a diaminopyrimidine carboxamide inhibitor | | Descriptor: | 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK | | Authors: | Somers, D.O, Neu, M. | | Deposit date: | 2011-07-07 | | Release date: | 2011-09-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
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1NX4
 | | The crystal structure of carbapenem synthase (CarC) | | Descriptor: | 2-OXOGLUTARIC ACID, Carbapenem synthase, FE (III) ION | | Authors: | Clifton, I.J, Doan, L.X, Sleeman, M.C, Topf, M, Suzuki, H, Wilmouth, R.C, Schofield, C.J. | | Deposit date: | 2003-02-08 | | Release date: | 2003-06-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of carbapenem synthase (CarC).
J.Biol.Chem., 278, 2003
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1NX8
 | | Structure of carbapenem synthase (CarC) complexed with N-acetyl proline | | Descriptor: | 1-ACETYL-L-PROLINE, 2-OXOGLUTARIC ACID, Carbapenem synthase, ... | | Authors: | Clifton, I.J, Doan, L.X, Sleeman, M.C, Topf, M, Suzuki, H, Wilmouth, R.C, Schofield, C.J. | | Deposit date: | 2003-02-10 | | Release date: | 2003-06-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of carbapenem synthase (CarC).
J.Biol.Chem., 278, 2003
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