4P31
| Crystal structure of a selenomethionine derivative of E. coli LptB in complex with ADP-Magensium | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION | Authors: | Sherman, D.J, Lazarus, M.B, Murphy, L, Liu, C, Walker, S, Ruiz, N, Kahne, D. | Deposit date: | 2014-03-05 | Release date: | 2014-03-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport. Proc.Natl.Acad.Sci.USA, 111, 2014
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4P32
| Crystal structure of E. coli LptB in complex with ADP-magnesium | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION | Authors: | Sherman, D.J, Lazarus, M.B, Murphy, L, Liu, C, Walker, S, Ruiz, N, Kahne, D. | Deposit date: | 2014-03-05 | Release date: | 2014-03-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport. Proc.Natl.Acad.Sci.USA, 111, 2014
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4P33
| Crystal structure of E. coli LptB-E163Q in complex with ATP-sodium | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Lipopolysaccharide export system ATP-binding protein LptB, ... | Authors: | Sherman, D.J, Lazarus, M.B, Murphy, L, Liu, C, Walker, S, Ruiz, N, Kahne, D. | Deposit date: | 2014-03-05 | Release date: | 2014-03-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport. Proc.Natl.Acad.Sci.USA, 111, 2014
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1DBW
| CRYSTAL STRUCTURE OF FIXJ-N | Descriptor: | POLYETHYLENE GLYCOL (N=34), TRANSCRIPTIONAL REGULATORY PROTEIN FIXJ | Authors: | Gouet, P, Fabry, B, Guillet, V, Birck, C, Mourey, L, Kahn, D, Samama, J.P. | Deposit date: | 1999-11-03 | Release date: | 1999-11-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural transitions in the FixJ receiver domain. Structure Fold.Des., 7, 1999
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1DCK
| STRUCTURE OF UNPHOSPHORYLATED FIXJ-N COMPLEXED WITH MN2+ | Descriptor: | MANGANESE (II) ION, POLYETHYLENE GLYCOL (N=34), TRANSCRIPTIONAL REGULATORY PROTEIN FIXJ | Authors: | Gouet, P, Fabry, B, Guillet, V, Birck, C, Mourey, L, Kahn, D, Samama, J.P. | Deposit date: | 1999-11-05 | Release date: | 1999-11-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural transitions in the FixJ receiver domain. Structure Fold.Des., 7, 1999
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1DCM
| STRUCTURE OF UNPHOSPHORYLATED FIXJ-N WITH AN ATYPICAL CONFORMER (MONOMER A) | Descriptor: | MAGNESIUM ION, TRANSCRIPTIONAL REGULATORY PROTEIN FIXJ | Authors: | Gouet, P, Fabry, B, Guillet, V, Birck, C, Mourey, L, Kahn, D, Samama, J.P. | Deposit date: | 1999-11-05 | Release date: | 2000-11-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural transitions in the FixJ receiver domain. Structure Fold.Des., 7, 1999
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1D5W
| PHOSPHORYLATED FIXJ RECEIVER DOMAIN | Descriptor: | SULFATE ION, TRANSCRIPTIONAL REGULATORY PROTEIN FIXJ | Authors: | Birck, C, Mourey, L, Gouet, P, Fabry, B, Schumacher, J, Rousseau, P, Kahn, D, Samama, J.P. | Deposit date: | 1999-10-12 | Release date: | 2000-10-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational changes induced by phosphorylation of the FixJ receiver domain. Structure Fold.Des., 7, 1999
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3NB7
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6B89
| E. coli LptB in complex with ADP and novobiocin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION, ... | Authors: | May, J.M, Lazarus, M.B, Sherman, D.J, Owens, T.W, Mandler, M.D, Kahne, D.K. | Deposit date: | 2017-10-05 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Antibiotic Novobiocin Binds and Activates the ATPase That Powers Lipopolysaccharide Transport. J. Am. Chem. Soc., 139, 2017
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6B8B
| E. coli LptB in complex with ADP and a novobiocin derivative | Descriptor: | (3s,5s,7s)-N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-ben zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, ... | Authors: | Mandler, M.D, Owens, T.W, Lazarus, M.B, May, J.M, Kahne, D.K. | Deposit date: | 2017-10-06 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Antibiotic Novobiocin Binds and Activates the ATPase That Powers Lipopolysaccharide Transport. J. Am. Chem. Soc., 139, 2017
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2OQO
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3D3H
| Crystal structure of a complex of the peptidoglycan glycosyltransferase domain from Aquifex aeolicus and neryl moenomycin A | Descriptor: | (2R)-3-{[(S)-{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-5-{[(2R,3R,4S,5R,6S)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2H-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}propanoic acid, Penicillin-insensitive transglycosylase | Authors: | Yuan, Y, Sliz, P, Walker, S. | Deposit date: | 2008-05-11 | Release date: | 2008-07-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural analysis of the contacts anchoring moenomycin to peptidoglycan glycosyltransferases and implications for antibiotic design. Acs Chem.Biol., 3, 2008
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2GV2
| MDM2 in complex with an 8-mer p53 peptide analogue | Descriptor: | 8-MER P53 PEPTIDE ANALOGUE, E3 ubiquitin-protein ligase Mdm2 | Authors: | Schubert, C, Sakurai, K. | Deposit date: | 2006-05-02 | Release date: | 2006-09-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic Analysis of an 8-mer p53 Peptide Analogue Complexed with MDM2. J.Am.Chem.Soc., 128, 2006
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6PL6
| Structural coordination of polymerization and crosslinking by a peptidoglycan synthase complex | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 2/cell division protein FtsI, Peptidoglycan glycosyltransferase RodA, ... | Authors: | Sjodt, M, Rohs, P.D.A, Erlandson, S.C, Zheng, S, Rudner, D.Z, Bernhardt, T.G, Kruse, A.C. | Deposit date: | 2019-06-30 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural coordination of polymerization and crosslinking by a SEDS-bPBP peptidoglycan synthase complex. Nat Microbiol, 5, 2020
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6BAR
| Crystal structure of Thermus thermophilus Rod shape determining protein RodA (Q5SIX3_THET8) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Rod shape determining protein RodA | Authors: | Sjodt, M, Brock, K, Dobihal, G, Rohs, P.D.A, Green, A.G, Hopf, T.A, Meeske, A.J, Marks, D.S, Bernhardt, T.G, Rudner, D.Z, Kruse, A.C. | Deposit date: | 2017-10-15 | Release date: | 2018-03-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.908 Å) | Cite: | Structure of the peptidoglycan polymerase RodA resolved by evolutionary coupling analysis. Nature, 556, 2018
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6BAS
| Crystal structure of Thermus thermophilus Rod shape determining protein RodA D255A mutant (Q5SIX3_THET8) | Descriptor: | CHLORIDE ION, Peptidoglycan glycosyltransferase RodA | Authors: | Sjodt, M, Brock, K, Dobihal, G, Rohs, P.D.A, Green, A.G, Hopf, T.A, Meeske, A.J, Marks, D.S, Bernhardt, T.G, Rudner, D.Z, Kruse, A.C. | Deposit date: | 2017-10-15 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.194 Å) | Cite: | Structure of the peptidoglycan polymerase RodA resolved by evolutionary coupling analysis. Nature, 556, 2018
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6PL5
| Structural coordination of polymerization and crosslinking by a peptidoglycan synthase complex | Descriptor: | Penicillin-binding protein 2/cell division protein FtsI, Peptidoglycan glycosyltransferase RodA, Unknown peptide | Authors: | Sjodt, M, Rohs, P.D.A, Erlandson, S.C, Zheng, S, Rudner, D.Z, Bernhardt, T.G, Kruse, A.C. | Deposit date: | 2019-06-30 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural coordination of polymerization and crosslinking by a SEDS-bPBP peptidoglycan synthase complex. Nat Microbiol, 5, 2020
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6MGF
| untagged, wild-type LptB in complex with ADP | Descriptor: | (3s,5s,7s)-N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-ben zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, ... | Authors: | Mandler, M.D, Owens, T.W, Ruiz, N, Kahne, D. | Deposit date: | 2018-09-13 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.982 Å) | Cite: | Bypassing the requirement for coupling of ATP binding and hydrolysis in the lipopolysaccharide ABC transporte not published
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9C1R
| Crystal structure of mutant cMET D1228N kinase domain in complex with inhibitor compound 13 | Descriptor: | GLYCEROL, Hepatocyte growth factor receptor, N-(2,5-difluoro-4-{[(1s,3S)-3-(1-methyl-1H-pyrazol-3-yl)cyclobutyl][(8R)-pyrazolo[1,5-a]pyrazin-4-yl]amino}phenyl)-2-(5-fluoropyridin-2-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide | Authors: | Simpson, H, Wu, W.-I, Mou, T.-C. | Deposit date: | 2024-05-29 | Release date: | 2024-08-21 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Discovery of Pyrazolopyrazines as Selective, Potent, and Mutant-Active MET Inhibitors with Intracranial Efficacy. J.Med.Chem., 67, 2024
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9BFB
| Crystal structure of BRAF kinase domain with PF-07284890 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-{2-chloro-3-[(3,5-dimethyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorophenyl}-3-fluoropropane-1-sulfonamide, ... | Authors: | Mou, T.-C. | Deposit date: | 2024-04-17 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Identification of the Clinical Candidate PF-07284890 ( ARRY-461 ), a Highly Potent and Brain Penetrant BRAF Inhibitor for the Treatment of Cancer. J.Med.Chem., 67, 2024
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1FQW
| CRYSTAL STRUCTURE OF ACTIVATED CHEY | Descriptor: | BERYLLIUM TRIFLUORIDE ION, CHEMOTAXIS CHEY PROTEIN, MANGANESE (II) ION | Authors: | Lee, S.Y, Cho, H.S, Pelton, J.G, Yan, D, Berry, E.A, Wemmer, D.E. | Deposit date: | 2000-09-07 | Release date: | 2001-07-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Crystal structure of activated CheY. Comparison with other activated receiver domains. J.Biol.Chem., 276, 2001
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