5JPX
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1B2P
| NATIVE MANNOSE-SPECIFIC BULB LECTIN FROM SCILLA CAMPANULATA (BLUEBELL) AT 1.7 ANGSTROMS RESOLUTION | Descriptor: | PROTEIN (LECTIN) | Authors: | Wood, S.D, Wright, L.M, Reynolds, C.D, Rizkallah, P.J, Allen, A.K, Peumans, W.J, Van Damme, E.J.M. | Deposit date: | 1998-11-30 | Release date: | 1999-07-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the native (unligated) mannose-specific bulb lectin from Scilla campanulata (bluebell) at 1.7 A resolution. Acta Crystallogr.,Sect.D, 55, 1999
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1BGO
| CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PEPTIDOMIMETIC INHIBITOR | Descriptor: | 1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE, CATHEPSIN K | Authors: | Desjarlais, R.L, Yamashita, D.S, Oh, H.-J, Bondinell, W.E, Uzinskas, I.N, Erhard, K.F, Allen, A.C, Haltiwanger, R.C, Zhao, B, Smith, W.W, Abdel-Meguid, S.S, D'Alessio, K, Janson, C.A, Mcqueney, M.S, Tomaszek, T.A, Levy, M.A, Veber, D.F. | Deposit date: | 1998-05-29 | Release date: | 1999-06-08 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Use of X-Ray Co-Crystal Structures and Molecular Modeling to Design Potent and Selective Non-Peptide Inhibitors of Cathepsin K J.Am.Chem.Soc., 120, 1998
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6VRG
| Structure of HIV-1 integrase with native amino-terminal sequence | Descriptor: | Integrase, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Eilers, G, Gupta, K, Allen, A, Zhou, J, Hwang, Y, Cory, M, Bushman, F.D, Van Duyne, G.D. | Deposit date: | 2020-02-07 | Release date: | 2020-09-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Influence of the amino-terminal sequence on the structure and function of HIV integrase. Retrovirology, 17, 2020
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1DLP
| STRUCTURAL CHARACTERIZATION OF THE NATIVE FETUIN-BINDING PROTEIN SCILLA CAMPANULATA AGGLUTININ (SCAFET): A NOVEL TWO-DOMAIN LECTIN | Descriptor: | LECTIN SCAFET PRECURSOR | Authors: | Wright, L.M, Reynolds, C.D, Rizkallah, P.J, Allen, A.K, VanDamme, E.J.M, Donovan, M.J, Peumans, W.J. | Deposit date: | 1999-12-11 | Release date: | 2000-02-10 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural characterisation of the native fetuin-binding protein Scilla campanulata agglutinin: a novel two-domain lectin. FEBS Lett., 468, 2000
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1KEW
| The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium with thymidine diphosphate bound | Descriptor: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, THYMIDINE-5'-DIPHOSPHATE, ... | Authors: | Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H. | Deposit date: | 2001-11-17 | Release date: | 2002-01-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Toward a structural understanding of the dehydratase mechanism. Structure, 10, 2002
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1KET
| The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with thymidine diphosphate bound | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, THYMIDINE-5'-DIPHOSPHATE, dTDP-D-glucose 4,6-dehydratase | Authors: | Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H. | Deposit date: | 2001-11-17 | Release date: | 2002-01-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Toward a structural understanding of the dehydratase mechanism. Structure, 10, 2002
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1KEU
| The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium with dTDP-D-glucose bound | Descriptor: | 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, dTDP-D-glucose 4,6-dehydratase | Authors: | Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H. | Deposit date: | 2001-11-17 | Release date: | 2002-01-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Toward a structural understanding of the dehydratase mechanism. Structure, 10, 2002
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1KEP
| The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with dTDP-xylose bound | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE, ... | Authors: | Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H. | Deposit date: | 2001-11-16 | Release date: | 2002-01-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Toward a structural understanding of the dehydratase mechanism. Structure, 10, 2002
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1KER
| The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with dTDP-D-glucose bound | Descriptor: | 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | Authors: | Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H. | Deposit date: | 2001-11-17 | Release date: | 2002-01-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Toward a structural understanding of the dehydratase mechanism. Structure, 10, 2002
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1NYW
| The high resolution structures of RmlC from Streptoccus suis in complex with dTDP-D-glucose | Descriptor: | 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase | Authors: | Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H. | Deposit date: | 2003-02-14 | Release date: | 2003-06-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme Structure, 11, 2003
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1NZC
| The high resolution structures of RmlC from Streptococcus suis in complex with dTDP-D-xylose | Descriptor: | NICKEL (II) ION, THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE, dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase | Authors: | Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H. | Deposit date: | 2003-02-17 | Release date: | 2003-06-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme Structure, 11, 2003
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1NXM
| The high resolution structures of RmlC from Streptococcus suis | Descriptor: | dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase | Authors: | Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H. | Deposit date: | 2003-02-11 | Release date: | 2003-06-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme Structure, 11, 2003
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2X8D
| Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | Descriptor: | 5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | Deposit date: | 2010-03-08 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration. Bioorg.Med.Chem., 20, 2010
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2X8E
| Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | Descriptor: | 5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | Deposit date: | 2010-03-09 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration. Bioorg.Med.Chem., 20, 2010
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2X8I
| Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | Descriptor: | 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Otterbein, L, Vallentine, A, White, A. | Deposit date: | 2010-03-09 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration. Bioorg.Med.Chem., 20, 2010
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2YER
| Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | Descriptor: | 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L. | Deposit date: | 2011-03-30 | Release date: | 2012-03-14 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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2YEX
| Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | Descriptor: | 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A. | Deposit date: | 2011-03-31 | Release date: | 2012-03-14 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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2YDK
| Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | Descriptor: | 2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | Deposit date: | 2011-03-22 | Release date: | 2012-04-04 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.9 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
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2YDI
| Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | Descriptor: | 5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | Deposit date: | 2011-03-21 | Release date: | 2012-04-04 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (1.6 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
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2YDJ
| Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | Descriptor: | 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | Deposit date: | 2011-03-22 | Release date: | 2012-01-25 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (1.85 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
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