4JZF
| Structure of factor VIIA in complex with the inhibitor 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid | Descriptor: | 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ... | Authors: | Wei, A, Anumula, R. | Deposit date: | 2013-04-02 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold. Bioorg.Med.Chem.Lett., 23, 2013
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4JZE
| Structure of factor VIIA in complex with the inhibitor 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid | Descriptor: | 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ... | Authors: | Wei, A, Anumula, R. | Deposit date: | 2013-04-02 | Release date: | 2013-08-21 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold. Bioorg.Med.Chem.Lett., 23, 2013
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4JZD
| Structure of factor VIIA in complex with the inhibitor 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid | Descriptor: | 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ... | Authors: | Jacobson, B.L, Anumula, R. | Deposit date: | 2013-04-02 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold. Bioorg.Med.Chem.Lett., 23, 2013
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4KUJ
| Structural and functional characterization of a novel Alpha Kinase from Entamoeba histolytica | Descriptor: | DI(HYDROXYETHYL)ETHER, Protein kinase, putative, ... | Authors: | Rehman, S.A.A, Tarique, K.F, Bhattacharya, A, Gourinath, S, Mansuri, M.S. | Deposit date: | 2013-05-22 | Release date: | 2014-05-28 | Last modified: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural and functional characterization of a novel Alpha Kinase from Entamoeba histolytica To be Published
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4C5D
| Crystal structure of Bcl-xL in complex with benzoylurea compound (42) | Descriptor: | (R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ... | Authors: | Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization. J.Med.Chem., 57, 2014
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4M3C
| Structure of a binary complex between homologous tetrameric legume lectins from Butea monosperma and Spatholobus parviflorus seeds | Descriptor: | CALCIUM ION, GAMMA-AMINO-BUTANOIC ACID, GLYCEROL, ... | Authors: | Surya, S, Abhilash, J, Geethanandan, K, Sadasivan, C, Haridas, M. | Deposit date: | 2013-08-06 | Release date: | 2013-09-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a binary complex between homologous tetrameric legume lectins from Butea monosperma and Spatholobus parviflorus seeds To be Published
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4CJ6
| Crystal structure of the complex of the Cellular Retinal Binding Protein Mutant R234W with 9-cis-retinal | Descriptor: | RETINAL, RETINALDEHYDE-BINDING PROTEIN 1 | Authors: | Bolze, C.S, Helbling, R.E, Owen, R.L, Pearson, A.R, Pompidor, G, Dworkowski, F, Fuchs, M.R, Furrer, J, Golczak, M, Palczewski, K, Cascella, M, Stocker, A. | Deposit date: | 2013-12-19 | Release date: | 2014-01-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | Human Cellular Retinaldehyde-Binding Protein Has Secondary Thermal 9-Cis-Retinal Isomerase Activity. J.Am.Chem.Soc., 136, 2014
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4CXR
| Mycobaterium tuberculosis transaminase BioA complexed with 1-(1,3- benzothiazol-2-yl)methanamine | Descriptor: | 1,2-ETHANEDIOL, 1-(1,3-benzothiazol-2-yl)methanamine, ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE, ... | Authors: | Dai, R, Geders, T.W, Finzel, B.C. | Deposit date: | 2014-04-08 | Release date: | 2014-04-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Inhibition of Mycobacterium Tuberculosis Transaminase Bioa by Aryl Hydrazines and Hydrazides. Chembiochem, 15, 2014
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4CIZ
| Crystal structure of the complex of the Cellular Retinal Binding Protein with 9-cis-retinal | Descriptor: | L(+)-TARTARIC ACID, RETINAL, RETINALDEHYDE-BINDING PROTEIN 1 | Authors: | Bolze, C.S, Helbling, R.E, Owen, R.L, Pearson, A.R, Pompidor, G, Dworkowski, F, Fuchs, M.R, Furrer, J, Golczak, M, Palczewski, K, Cascella, M, Stocker, A. | Deposit date: | 2013-12-18 | Release date: | 2014-01-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.403 Å) | Cite: | Human Cellular Retinaldehyde-Binding Protein Has Secondary Thermal 9-Cis-Retinal Isomerase Activity. J.Am.Chem.Soc., 136, 2014
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1ZG1
| NarL complexed to nirB promoter non-palindromic tail-to-tail DNA site | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*CP*CP*AP*TP*TP*AP*AP*GP*GP*AP*GP*TP*AP*CP*G)-3', 5'-D(*CP*GP*TP*AP*CP*TP*CP*CP*TP*TP*AP*AP*TP*GP*GP*GP*TP*AP*CP*G)-3', Nitrate/nitrite response regulator protein narL, ... | Authors: | Maris, A.E, Kaczor-Grzeskowiak, M, Ma, Z, Kopka, M.L, Gunsalus, R.P, Dickerson, R.E. | Deposit date: | 2005-04-20 | Release date: | 2005-11-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Primary and Secondary Modes of DNA Recognition by the NarL Two-Component Response Regulator. Biochemistry, 44, 2005
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1JW0
| Structure of cephalosporin acylase in complex with glutarate | Descriptor: | GLUTARIC ACID, cephalosporin acylase alpha chain, cephalosporin acylase beta chain | Authors: | Kim, Y, Hol, W.G.J. | Deposit date: | 2001-09-01 | Release date: | 2002-09-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of cephalosporin acylase in complex with glutaryl-7-aminocephalosporanic acid and glutarate: insight into the basis of its substrate specificity CHEM.BIOL., 8, 2001
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7PRW
| The glucocorticoid receptor in complex with velsecorat, a PGC1a coactivator fragment and sgk 23bp | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*TP*AP*CP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*CP*CP*GP*TP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*CP*GP*GP*AP*CP*AP*AP*AP*AP*TP*GP*TP*TP*CP*TP*GP*TP*AP*C)-3'), ... | Authors: | Postel, S, Edman, K, Wissler, L. | Deposit date: | 2021-09-22 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication. Nat.Struct.Mol.Biol., 30, 2023
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7PRV
| The glucocorticoid receptor in complex with fluticasone furoate, a PGC1a coactivator fragment and sgk 23bp | Descriptor: | (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate, 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*CP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*CP*CP*GP*TP*CP*GP*A)-3'), ... | Authors: | Postel, S, Edman, K, Wissler, L. | Deposit date: | 2021-09-22 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication. Nat.Struct.Mol.Biol., 30, 2023
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7PRX
| wildtype ligand binding domain of the glucocorticoid receptor complexed with velsecorat and a PGC1a coactivator fragment | Descriptor: | Glucocorticoid receptor, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Velsecorat | Authors: | Edman, K, Wissler, L, Koehler, C, Postel, S. | Deposit date: | 2021-09-22 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication. Nat.Struct.Mol.Biol., 30, 2023
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4MEZ
| Crystal structure of M68L/M69T double mutant TEM-1 | Descriptor: | Beta-lactamase TEM, CHLORIDE ION, GLYCEROL, ... | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | Deposit date: | 2013-08-27 | Release date: | 2014-10-15 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.047 Å) | Cite: | The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function. Sci Rep, 9, 2019
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1ZAF
| Crystal structure of estrogen receptor beta complexed with 3-Bromo-6-hydroxy-2-(4-hydroxy-phenyl)-inden-1-one | Descriptor: | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | McDevitt, R.E, Malamas, M.S, Manas, E.S, Unwalla, R.J, Xu, Z.B, Miller, C.P, Harris, H.A. | Deposit date: | 2005-04-06 | Release date: | 2006-04-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Estrogen receptor ligands: design and synthesis of new 2-arylindene-1-ones Bioorg.Med.Chem.Lett., 15, 2005
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4P6L
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1K6T
| LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE | Descriptor: | ACETATE ION, N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-PEN TANAMIDE, POL polyprotein | Authors: | Schiffer, C.A. | Deposit date: | 2001-10-17 | Release date: | 2002-02-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease. Protein Sci., 11, 2002
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4CXQ
| Mycobaterium tuberculosis transaminase BioA complexed with substrate KAPA | Descriptor: | 1,2-ETHANEDIOL, 7-KETO-8-AMINOPELARGONIC ACID, ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE, ... | Authors: | Dai, R, Wilson, D.J, Geders, T.W, Aldrich, C.C, Finzel, B.C. | Deposit date: | 2014-04-08 | Release date: | 2014-04-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibition of Mycobacterium Tuberculosis Transaminase Bioa by Aryl Hydrazines and Hydrazides. Chembiochem, 15, 2014
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1K6V
| LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE | Descriptor: | ACETATE ION, N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4-HYDROXY-2-(1-PHE NYLETHYL)-PENTANAMIDE, POL polyprotein | Authors: | Schiffer, C.A. | Deposit date: | 2001-10-17 | Release date: | 2002-02-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease. Protein Sci., 11, 2002
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4M0E
| Structure of human acetylcholinesterase in complex with dihydrotanshinone I | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cheung, J, Gary, E.N, Shiomi, K, Rosenberry, T.L. | Deposit date: | 2013-08-01 | Release date: | 2013-10-16 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility. ACS Med Chem Lett, 4, 2013
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4Q9B
| IgNAR antibody domain C2 | Descriptor: | Novel antigen receptor | Authors: | Feige, J.M, Graewert, M.A, Marcinowski, M, Hennig, J, Behnke, J, Auslaender, D, Herold, E.M, Peschek, J, Castro, C.D, Flajnik, M.F, Hendershot, L.M, Sattler, M, Groll, M, Buchner, J. | Deposit date: | 2014-04-30 | Release date: | 2014-07-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The structural analysis of shark IgNAR antibodies reveals evolutionary principles of immunoglobulins. Proc.Natl.Acad.Sci.USA, 111, 2014
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1POY
| SPERMIDINE/PUTRESCINE-BINDING PROTEIN COMPLEXED WITH SPERMIDINE (DIMER FORM) | Descriptor: | SPERMIDINE, SPERMIDINE/PUTRESCINE-BINDING PROTEIN | Authors: | Sugiyama, S, Vassylyev, D.G, Matsushima, M, Morikawa, K. | Deposit date: | 1996-02-02 | Release date: | 1996-07-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of PotD, the primary receptor of the polyamine transport system in Escherichia coli. J.Biol.Chem., 271, 1996
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4H9M
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3W11
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