6GQW
 
 | | KRAS-169 Q61H GPPNHP + CH-1 | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2018-06-08 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6GRG
 | | E. coli Microcin synthetase McbBCD complex with pro-MccB17, ADP and phosphate bound | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K. | | Deposit date: | 2018-06-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019
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6GQY
 | | KRAS-169 Q61H GPPNHP + CH-3 | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | | Deposit date: | 2018-06-08 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6GQT
 | | KRAS-169 Q61H GPPNHP + PPIN-2 | | Descriptor: | CITRIC ACID, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2018-06-08 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6GRH
 | | E. coli Microcin synthetase McbBCD complex with truncated pro-MccB17 bound | | Descriptor: | 1,2-ETHANEDIOL, Bacteriocin microcin B17, CHLORIDE ION, ... | | Authors: | Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K. | | Deposit date: | 2018-06-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019
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6GH2
 | | Paenibacillus sp. YM1 laminaribiose phosphorylase with alpha-glc-1-phosphate bound | | Descriptor: | 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Kuhaudomlarp, S, Walpole, S, Stevenson, C.E.M, Nepogodiev, S.A, Lawson, D.M, Angulo, J, Field, R.A. | | Deposit date: | 2018-05-04 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Unravelling the Specificity of Laminaribiose Phosphorylase from Paenibacillus sp. YM-1 towards Donor Substrates Glucose/Mannose 1-Phosphate by Using X-ray Crystallography and Saturation Transfer Difference NMR Spectroscopy.
Chembiochem, 20, 2019
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7P2W
 | | E.coli GyrB24 with inhibitor LMD92 (EBL2682) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, ... | | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7P2X
 | | E.coli GyrB24 with inhibitor KOB20 (EBL2583) | | Descriptor: | (2Z)-2-[[4,5-bis(bromanyl)-1H-pyrrol-2-yl]carbonylimino]-3-(phenylmethyl)-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Benek, O, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | E.coli GyrB24 with inhibitor KOB20 (EBL2583)
TO BE PUBLISHED
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7P2M
 | | E.coli GyrB24 with inhibitor LMD43 (EBL2560) | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7P2N
 | | E.coli GyrB24 with inhibitor LSJ38 (EBL2684) | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Exploring the 5-Substituted 2-Aminobenzothiazole-Based DNA Gyrase B Inhibitors Active against ESKAPE Pathogens.
Acs Omega, 8, 2023
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7P56
 | | Variant Surface Glycoprotein 2 (VSG2, MiTat1.2, VSG221) Bound to Calcium | | Descriptor: | CALCIUM ION, Variant surface glycoprotein MITAT 1.2, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | Deposit date: | 2021-07-14 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.735 Å) | | Cite: | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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7P5D
 | | Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) mutant (serine 317 and 319 to alanine) | | Descriptor: | Variant surface glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | Deposit date: | 2021-07-14 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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7P4R
 | | Ultra High Resolution X-ray Structure of Orthorhombic Bovine Pancreatic Ribonuclease at 100K | | Descriptor: | ETHANOL, Ribonuclease pancreatic, SULFATE ION | | Authors: | Lisgarten, D.R, Palmer, R.A, Cooper, J.B, Naylor, C.E, Howlin, B.J, Lisgarten, J.N, Najmudin, S, Lobley, C.M.C. | | Deposit date: | 2021-07-12 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Ultra-high resolution X-ray structure of orthorhombic bovine pancreatic Ribonuclease A at 100K.
BMC Chem, 17, 2023
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7P57
 | | VSG2 mutant structure lacking the calcium binding pocket | | Descriptor: | Variant surface glycoprotein MITAT 1.2, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | Deposit date: | 2021-07-14 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.961 Å) | | Cite: | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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7P59
 | | Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) with two O-linked post-translational modifications | | Descriptor: | Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gkeka, A, Arest-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | Deposit date: | 2021-07-14 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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7P5B
 | | Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) mutant (serine 319 to alanine), single O-linked glycosylated at Ser317 | | Descriptor: | Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | Deposit date: | 2021-07-14 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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7P5A
 | | Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) mutant (serine 317 to alanine), single O-linked glycosylated at Ser319 | | Descriptor: | Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | Deposit date: | 2021-07-14 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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4G2B
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4G6T
 | | Structure of the HopA1-SchA Chaperone-Effector Complex | | Descriptor: | Type III chaperone protein ShcA, Type III effector HopA1 | | Authors: | Stebbins, C.E, Janjusevic, R, Quezada, C.M. | | Deposit date: | 2012-07-19 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structure of the HopA1(21-102)-ShcA chaperone-effector complex of Pseudomonas syringae reveals conservation of a virulence factor binding motif from animal to plant pathogens.
J.Bacteriol., 195, 2013
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8EC3
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2M70
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8T4P
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and di-glutamate AGF347 inhibitor | | Descriptor: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid, Serine hydroxymethyltransferase, ... | | Authors: | Katinas, J.M, Dann III, C.E. | | Deposit date: | 2023-06-09 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
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8T4O
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor with no glutamate | | Descriptor: | 4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ... | | Authors: | Katinas, J.M, Dann III, C.E. | | Deposit date: | 2023-06-09 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
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8TLC
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and tri-glutamate AGF347 inhibitor | | Descriptor: | N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid, Serine hydroxymethyltransferase, mitochondrial | | Authors: | Katinas, J.M, Dann III, C.E. | | Deposit date: | 2023-07-26 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
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6GOM
 | | KRAS-169 Q61H GPPNHP + PPIN-1 | | Descriptor: | (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ... | | Authors: | Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2018-06-01 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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