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PDB: 1278 件
6GQW
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KRAS-169 Q61H GPPNHP + CH-1
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
6GRG
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E. coli Microcin synthetase McbBCD complex with pro-MccB17, ADP and phosphate bound
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K.
登録日2018-06-11
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019
6GQY
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KRAS-169 Q61H GPPNHP + CH-3
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H.
登録日2018-06-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献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
6GQT
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KRAS-169 Q61H GPPNHP + PPIN-2
分子名称: CITRIC ACID, GTPase KRas, MAGNESIUM ION, ...
著者Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献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
6GRH
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E. coli Microcin synthetase McbBCD complex with truncated pro-MccB17 bound
分子名称: 1,2-ETHANEDIOL, Bacteriocin microcin B17, CHLORIDE ION, ...
著者Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K.
登録日2018-06-11
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019
6GH2
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Paenibacillus sp. YM1 laminaribiose phosphorylase with alpha-glc-1-phosphate bound
分子名称: 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, ...
著者Kuhaudomlarp, S, Walpole, S, Stevenson, C.E.M, Nepogodiev, S.A, Lawson, D.M, Angulo, J, Field, R.A.
登録日2018-05-04
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
7P2W
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E.coli GyrB24 with inhibitor LMD92 (EBL2682)
分子名称: 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, ...
著者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.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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
7P2X
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E.coli GyrB24 with inhibitor KOB20 (EBL2583)
分子名称: (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
著者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.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献E.coli GyrB24 with inhibitor KOB20 (EBL2583)
TO BE PUBLISHED
7P2M
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E.coli GyrB24 with inhibitor LMD43 (EBL2560)
分子名称: 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
著者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.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献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
7P2N
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E.coli GyrB24 with inhibitor LSJ38 (EBL2684)
分子名称: 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
著者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.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Exploring the 5-Substituted 2-Aminobenzothiazole-Based DNA Gyrase B Inhibitors Active against ESKAPE Pathogens.
Acs Omega, 8, 2023
7P56
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Variant Surface Glycoprotein 2 (VSG2, MiTat1.2, VSG221) Bound to Calcium
分子名称: 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, ...
著者Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N.
登録日2021-07-14
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.735 Å)
主引用文献Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
7P5D
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Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) mutant (serine 317 and 319 to alanine)
分子名称: 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
著者Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N.
登録日2021-07-14
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
7P4R
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BU of 7p4r by Molmil
Ultra High Resolution X-ray Structure of Orthorhombic Bovine Pancreatic Ribonuclease at 100K
分子名称: ETHANOL, Ribonuclease pancreatic, SULFATE ION
著者Lisgarten, D.R, Palmer, R.A, Cooper, J.B, Naylor, C.E, Howlin, B.J, Lisgarten, J.N, Najmudin, S, Lobley, C.M.C.
登録日2021-07-12
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Ultra-high resolution X-ray structure of orthorhombic bovine pancreatic Ribonuclease A at 100K.
BMC Chem, 17, 2023
7P57
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VSG2 mutant structure lacking the calcium binding pocket
分子名称: 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
著者Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N.
登録日2021-07-14
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.961 Å)
主引用文献Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
7P59
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Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) with two O-linked post-translational modifications
分子名称: 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
著者Gkeka, A, Arest-Branco, F, Stebbins, C.E, Papavasiliou, F.N.
登録日2021-07-14
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
7P5B
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Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) mutant (serine 319 to alanine), single O-linked glycosylated at Ser317
分子名称: 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
著者Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N.
登録日2021-07-14
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
7P5A
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BU of 7p5a by Molmil
Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) mutant (serine 317 to alanine), single O-linked glycosylated at Ser319
分子名称: 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
著者Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N.
登録日2021-07-14
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
4G2B
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Structure of the Catalytic Domain of the Salmonella Virulence Factor SseI
分子名称: Secreted effector protein sseI
著者Stebbins, C.E, Bhaskaran, S.S.
登録日2012-07-11
公開日2012-11-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of the catalytic domain of the Salmonella virulence factor SseI.
Acta Crystallogr.,Sect.D, 68, 2012
4G6T
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BU of 4g6t by Molmil
Structure of the HopA1-SchA Chaperone-Effector Complex
分子名称: Type III chaperone protein ShcA, Type III effector HopA1
著者Stebbins, C.E, Janjusevic, R, Quezada, C.M.
登録日2012-07-19
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献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
8EC3
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The crystal structure of the complement inhibitory domain of Borrelia hermsii FbpC.
分子名称: Fibronectin-binding protein, MAGNESIUM ION
著者Booth, C.E, Garcia, B.L.
登録日2022-09-01
公開日2023-06-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational dynamics of complement protease C1r inhibitor proteins from Lyme disease- and relapsing fever-causing spirochetes.
J.Biol.Chem., 299, 2023
2M70
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Structural determination of the Citrus sinensis Poly(A)-Binding Protein CsPABP1
分子名称: Poly(A)-binding protein 1
著者Sforca, M.L, Domingues, M.N, Zeri, A.C.M, Benedetti, C.E.
登録日2013-04-16
公開日2014-04-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural determination of the Citrus sinensis Poly(A)-Binding Protein CsPABP1
To be Published
8T4P
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Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and di-glutamate AGF347 inhibitor
分子名称: 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, ...
著者Katinas, J.M, Dann III, C.E.
登録日2023-06-09
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
8T4O
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BU of 8t4o by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor with no glutamate
分子名称: 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, ...
著者Katinas, J.M, Dann III, C.E.
登録日2023-06-09
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
8TLC
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Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and tri-glutamate AGF347 inhibitor
分子名称: 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
著者Katinas, J.M, Dann III, C.E.
登録日2023-07-26
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
6GOM
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KRAS-169 Q61H GPPNHP + PPIN-1
分子名称: (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ...
著者Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-01
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献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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