2WMR
 
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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2XZA
 | | Crystal Structure of recombinant A.17 antibody FAB fragment | | Descriptor: | FAB A.17 HEAVY CHAIN, FAB A.17 LIGHT CHAIN | | Authors: | Carletti, E, Nachon, F, Nicolet, Y, Masson, P, Kurkova, I, Smirnov, I, Friboulet, A, Tramontano, A, Gabibov, A. | | Deposit date: | 2010-11-24 | | Release date: | 2011-09-21 | | Last modified: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Reactibodies Generated by Kinetic Selection Couple Chemical Reactivity with Favorable Protein Dynamics.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2XZC
 | | Crystal Structure of phosphonate-modified recombinant A.17 antibody FAB fragment | | Descriptor: | 8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE, CHLORIDE ION, FAB A.17 HEAVY CHAIN, ... | | Authors: | Carletti, E, Nachon, F, Nicolet, Y, Masson, P, Kurkova, I, Smirnov, I, Friboulet, A, Tramontano, A, Gabibov, A. | | Deposit date: | 2010-11-24 | | Release date: | 2011-09-21 | | Last modified: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Reactibodies Generated by Kinetic Selection Couple Chemical Reactivity with Favorable Protein Dynamics.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2WOR
 | | co-structure of S100A7 with 1,8 ANS | | Descriptor: | 8-ANILINO-1-NAPHTHALENE SULFONATE, CALCIUM ION, PROTEIN S100-A7, ... | | Authors: | Leon, R, Hof, F, Boulanger, M.J. | | Deposit date: | 2009-07-27 | | Release date: | 2009-10-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification and Characterization of Binding Sites on S100A7, a Participant in Cancer and Inflammation Pathways.
Biochemistry, 48, 2009
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2X00
 | | CRYSTAL STRUCTURE OF A-ACHBP IN COMPLEX WITH GYMNODIMINE A | | Descriptor: | GYMNODIMINE A, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Bourne, Y, Radic, Z, Araoz, R, Talley, T.T, Benoit, E, Servent, D, Taylor, P, Molgo, J, Marchot, P. | | Deposit date: | 2009-12-04 | | Release date: | 2010-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Determinants in Phycotoxins and Achbp Conferring High Affinity Binding and Nicotinic Achr Antagonism.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2WZY
 | | Crystal structure of A-AChBP in complex with 13-desmethyl spirolide C | | Descriptor: | 13-DESMETHYL SPIROLIDE C, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Bourne, Y, Radic, Z, Araoz, R, Talley, T.T, Benoit, E, Servent, D, Taylor, P, Molgo, J, Marchot, P. | | Deposit date: | 2009-12-03 | | Release date: | 2010-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural Determinants in Phycotoxins and Achbp Conferring High Affinity Binding and Nicotinic Achr Antagonism.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2XOI
 | | Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A | | Descriptor: | (2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE, RIBONUCLEASE PANCREATIC | | Authors: | Thiyagarajan, N, Smith, B.D, Raines, R.T, Acharya, K.R. | | Deposit date: | 2010-08-17 | | Release date: | 2011-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A.
FEBS J., 278, 2011
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2V91
 | | STRUCTURE OF STRICTOSIDINE SYNTHASE IN COMPLEX WITH STRICTOSIDINE | | Descriptor: | METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE, STRICTOSIDINE SYNTHASE | | Authors: | Loris, E.A, Panjikar, S, Ruppert, M, Barleben, L, Unger, M, Stoeckigt, J. | | Deposit date: | 2007-08-16 | | Release date: | 2008-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Structure Based Engineering of Strictosidine Synthase: Auxiliary for Alkaloid Libraries
Chem.Biol., 14, 2007
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2V89
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2W90
 | | Geobacillus stearothermophilus 6-phosphogluconate dehydrogenase with bound 6- phosphogluconate | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, ... | | Authors: | Cameron, S, Martini, V.P, Iulek, J, Hunter, W.N. | | Deposit date: | 2009-01-20 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Geobacillus Stearothermophilus 6-Phosphogluconate Dehydrogenase, Complexed with 6-Phosphogluconate.
Acta Crystallogr.,Sect.F, 65, 2009
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2VUJ
 | | Environmentally isolated GH11 xylanase | | Descriptor: | GH11 XYLANASE, GLYCEROL | | Authors: | Dumon, C, Varvak, A, Wall, M.A, Flint, J.E, Lewis, R.J, Lakey, J.H, Luginbuhl, P, Healey, S, Todaro, T, DeSantis, G, Sun, M, Parra-Gessert, L, Tan, X, Weiner, D.P, Gilbert, H.J. | | Deposit date: | 2008-05-26 | | Release date: | 2008-06-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering Hyperthermostability Into a Gh11 Xylanase is Mediated by Subtle Changes to Protein Structure.
J.Biol.Chem., 283, 2008
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2XIJ
 | | Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-DEOXYADENOSINE, ... | | Authors: | Yue, W.W, Froese, D.S, Kochan, G, Chaikuad, A, Krojer, T, Muniz, J, Vollmar, M, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2010-06-30 | | Release date: | 2010-09-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
J.Biol.Chem., 285, 2010
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2WFE
 | | Structure of the Candida albicans cytosolic leucyl-tRNA synthetase editing domain | | Descriptor: | CYTOSOLIC LEUCYL-TRNA SYNTHETASE | | Authors: | Seiradake, E, Mao, W, Hernandez, V, Baker, S.J, Plattner, J.J, Alley, M.R.K, Cusack, S. | | Deposit date: | 2009-04-04 | | Release date: | 2009-05-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of the Human and Fungal Cytosolic Leucyl-tRNA Synthetase Editing Domains: A Structural Basis for the Rational Design of Antifungal Benzoxaboroles.
J.Mol.Biol., 390, 2009
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2WNC
 | | Crystal structure of Aplysia ACHBP in complex with tropisetron | | Descriptor: | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE, Soluble acetylcholine receptor | | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | | Deposit date: | 2009-07-08 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor.
EMBO J., 28, 2009
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2WOS
 | | Structure of human S100A7 in complex with 2,6 ANS | | Descriptor: | 6-[(1E)-CYCLOHEXA-2,4-DIEN-1-YLIDENEAMINO]NAPHTHALENE-2-SULFONATE, CALCIUM ION, PROTEIN S100-A7, ... | | Authors: | Leon, R, Murray, J.I, Cragg, G, Farnell, B, Pace, T.C, Bohne, C, Boulanger, M.J, Hof, F. | | Deposit date: | 2009-07-27 | | Release date: | 2009-10-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification and Characterization of Binding Sites on S100A7, a Participant in Cancer and Inflammation Pathways.
Biochemistry, 48, 2009
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2WMU
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 6-MORPHOLIN-4-YL-9H-PURINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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2XOG
 | | Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A | | Descriptor: | (2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE, RIBONUCLEASE PANCREATIC | | Authors: | Thiyagarajan, N, Smith, B.D, Raines, R.T, Acharya, K.R. | | Deposit date: | 2010-08-16 | | Release date: | 2011-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A.
FEBS J., 278, 2011
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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 | | Last modified: | 2024-05-08 | | 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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2YAL
 | | SinR, Master Regulator of biofilm formation in Bacillus subtilis | | Descriptor: | HTH-TYPE TRANSCRIPTIONAL REGULATOR SINR, NICKEL (II) ION | | Authors: | Colledge, V.L, Fogg, M.J, Levdikov, V.M, Leech, A, Dodson, E.J, Wilkinson, A.J. | | Deposit date: | 2011-02-23 | | Release date: | 2011-06-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structure and Organisation of Sinr, the Master Regulator of Biofilm Formation in Bacillus Subtilis.
J.Mol.Biol., 411, 2011
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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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