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8OZ9	Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-383 Descriptor: 7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine, Chemotaxis protein CheA Authors: Adhav, A, Marina, A. Deposit date: 2023-05-08 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-383 To Be Published
2H4J	Sir2-deacetylated peptide (from enzymatic turnover in crystal) Descriptor: 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, Cellular tumor antigen p53, NAD-dependent deacetylase, ... Authors: Hoff, K.G, Avalos, J.L, Sens, K, Wolberger, C. Deposit date: 2006-05-24 Release date: 2006-09-05 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Insights into the Sirtuin Mechanism from Ternary Complexes Containing NAD(+) and Acetylated Peptide. Structure, 14, 2006
8OYZ	Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK10 Descriptor: 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one, Chemotaxis protein CheA Authors: Adhav, A, Marina, A. Deposit date: 2023-05-05 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK10 To Be Published
8OYQ	Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK13 Descriptor: Chemotaxis protein CheA, quinazolin-2-amine Authors: Adhav, A, Marina, A. Deposit date: 2023-05-05 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK13 To Be Published
8P3N	Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK8 Descriptor: 9-METHYL-9H-PURIN-6-AMINE, Chemotaxis protein CheA Authors: Adhav, A, Marina, A. Deposit date: 2023-05-18 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK8 To Be Published
8P59	Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-333 Descriptor: 7-(2-phenylethoxy)quinazolin-2-amine, Chemotaxis protein CheA Authors: Adhav, A, Marina, A. Deposit date: 2023-05-23 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-333 To Be Published
8P3R	Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK4 Descriptor: 9~{H}-purine, Chemotaxis protein CheA Authors: Adhav, A, Marina, A. Deposit date: 2023-05-18 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK4 To Be Published
8PF2	Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK16 Descriptor: Chemotaxis protein CheA, RESORCINOL Authors: Adhav, A, Marina, A. Deposit date: 2023-06-15 Release date: 2024-06-26 Last modified: 2024-07-10 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Repurposing Hsp90 inhibitors as antimicrobials targeting two-component systems identifies compounds leading to loss of bacterial membrane integrity. Microbiol Spectr, 2024
2H59	Sir2 H116A-deacetylated p53 peptide-3'-o-acetyl ADP ribose Descriptor: (2S,3S,4R,5S)-2-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-4,5-DIHYDROXYTETRAHYDROFURAN-3-YL ACETATE, ADENOSINE-5-DIPHOSPHORIBOSE, Cellular tumor antigen p53, ... Authors: Hoff, K.G, Avalos, J.L, Sens, K, Wolberger, C. Deposit date: 2006-05-25 Release date: 2006-09-05 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Insights into the Sirtuin Mechanism from Ternary Complexes Containing NAD(+) and Acetylated Peptide. Structure, 14, 2006
1MMS	Crystal structure of the ribosomal PROTEIN L11-RNA complex Descriptor: 23S RIBOSOMAL RNA, CADMIUM ION, MAGNESIUM ION, ... Authors: Wimberly, B.T, Guymon, R, Mccutcheon, J.P, White, S.W, Ramakrishnan, V. Deposit date: 1999-04-14 Release date: 2000-04-17 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.57 Å) Cite: A detailed view of a ribosomal active site: the structure of the L11-RNA complex. Cell(Cambridge,Mass.), 97, 1999
5IOQ	Flavin-dependent thymidylate synthase in complex with FAD and deoxyuridine Descriptor: 2'-DEOXYURIDINE, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... Authors: Bernard, S.M, Stull, F.W, Smith, J.L. Deposit date: 2016-03-08 Release date: 2016-06-08 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase. Biochemistry, 55, 2016
1O63	Crystal structure of an ATP phosphoribosyltransferase Descriptor: ATP phosphoribosyltransferase Authors: Structural GenomiX Deposit date: 2003-10-23 Release date: 2003-11-11 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
5IOR	Flavin-dependent thymidylate synthase in complex with FAD and 2'-deoxyuridine-5'-monosulfate Descriptor: 2'-deoxy-5'-O-sulfouridine, FLAVIN-ADENINE DINUCLEOTIDE, RIBOFLAVIN, ... Authors: Bernard, S.M, Stull, F.W, Smith, J.L. Deposit date: 2016-03-08 Release date: 2016-06-08 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase. Biochemistry, 55, 2016
5JFE	Flavin-dependent thymidylate synthase with H2-dUMP Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-uridylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... Authors: Sapra, A, Stuckey, J, Palfey, B. Deposit date: 2016-04-19 Release date: 2017-04-26 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Evaluating H2-dUMP as an Intermediate in the oxidation of Flavin-dependent Thymidylate Synthase To Be Published
1XDJ	Crystal Structure of T. maritima Cobalamin-Independent Methionine Synthase complexed with Zn2+ and Homocysteine Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, MESO-ERYTHRITOL, ... Authors: Pejchal, R, Ludwig, M.L. Deposit date: 2004-09-06 Release date: 2005-03-01 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Cobalamin-independent methionine synthase (MetE): a face-to-face double barrel that evolved by gene duplication Plos Biol., 3, 2005
1PN8	Coordinates of S12, L11 proteins and E-site tRNA from 70S crystal structure separately fitted into the Cryo-EM map of E.coli 70S.EF-G.GDPNP complex. The atomic coordinates originally from the E-site tRNA were fitted in the position of the hybrid P/E-site tRNA. Descriptor: 30S ribosomal protein S12, 50S ribosomal protein L11, E-tRNA Authors: Valle, M, Zavialov, A, Sengupta, J, Rawat, U, Ehrenberg, M, Frank, J. Deposit date: 2003-06-12 Release date: 2003-07-15 Last modified: 2024-02-14 Method: ELECTRON MICROSCOPY (10.8 Å) Cite: Locking and Unlocking of Ribosomal Motions Cell(Cambridge,Mass.), 114, 2003
8SZZ	CryoEM Structure of Computationally Designed Nanocage O32-ZL4 Descriptor: O32-ZL4 Component A, O32-ZL4 Component B, SODIUM ION Authors: Weidle, C, Borst, A. Deposit date: 2023-05-30 Release date: 2023-11-01 Last modified: 2023-12-27 Method: ELECTRON MICROSCOPY (2.9 Å) Cite: Accurate computational design of three-dimensional protein crystals. Nat Mater, 22, 2023
1PN7	Coordinates of S12, L11 proteins and P-tRNA, from the 70S X-ray structure aligned to the 70S Cryo-EM map of E.coli ribosome Descriptor: 30S ribosomal protein S12, 50S ribosomal protein L11, P-tRNA Authors: Valle, M, Zavialov, A, Sengupta, J, Rawat, U, Ehrenberg, M, Frank, J. Deposit date: 2003-06-12 Release date: 2003-07-15 Last modified: 2024-02-14 Method: ELECTRON MICROSCOPY (10.8 Å) Cite: Locking and Unlocking of Ribosomal Motions Cell(Cambridge,Mass.), 114, 2003
1NV8	N5-glutamine methyltransferase, HemK Descriptor: N5-METHYLGLUTAMINE, S-ADENOSYLMETHIONINE, hemK protein Authors: Schubert, H.L, Phillips, J.D, Hill, C.P. Deposit date: 2003-02-02 Release date: 2003-05-27 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structures along the Catalytic Pathway of PrmC/HemK, an N(5)-Glutamine AdoMet-Dependent Methyltransferase Biochemistry, 42, 2003
6Q1B	Crystal structure of oxidized iodotyrosine deiodinase (IYD) bound to FMN and 3-fluoro-L-tyrosine Descriptor: 3-FLUOROTYROSINE, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... Authors: Sun, Z, Kavran, J.M, Rokita, S.E. Deposit date: 2019-08-03 Release date: 2021-02-03 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.596 Å) Cite: Crystal structure of oxidized Tn IYD bound to FMN and 3-fluoro-L-tyrosine To Be Published
1XPG	Crystal Structure of T. maritima Cobalamin-Independent Methionine Synthase complexed with Zn2+ and Methyltetrahydrofolate Descriptor: 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, MESO-ERYTHRITOL, ... Authors: Pejchal, R, Ludwig, M.L. Deposit date: 2004-10-08 Release date: 2005-03-01 Last modified: 2017-10-11 Method: X-RAY DIFFRACTION (2.59 Å) Cite: Cobalamin-independent methionine synthase (MetE): a face-to-face double barrel that evolved by gene duplication Plos Biol., 3, 2005
1PW5	putative nagD protein Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, SULFATE ION, nagD protein, ... Authors: Cuff, M.E, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2003-06-30 Release date: 2004-03-02 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.8 Å) Cite: putative nagD protein To be Published
1XR2	Crystal Structure of oxidized T. maritima Cobalamin-Independent Methionine Synthase complexed with Methyltetrahydrofolate Descriptor: 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, MESO-ERYTHRITOL, ... Authors: Pejchal, R, Ludwig, M.L. Deposit date: 2004-10-13 Release date: 2005-03-01 Last modified: 2017-10-11 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Cobalamin-independent methionine synthase (MetE): a face-to-face double barrel that evolved by gene duplication Plos Biol., 3, 2005
8QMN	[FeFe]-hydrogenase maturase HydE from T. maritima - dialysis experiment - empty structure Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, IRON/SULFUR CLUSTER, ... Authors: Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y. Deposit date: 2023-09-23 Release date: 2023-11-22 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE. Angew.Chem.Int.Ed.Engl., 62, 2023
8QMK	Enzymatically-produced complex-B bound TmHydE structure Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBON MONOXIDE, CHLORIDE ION, ... Authors: Omeiri, J, Martin, L, Usclat, A, Cherrier, M.V, Nicolet, Y. Deposit date: 2023-09-22 Release date: 2023-11-22 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Maturation of the [FeFe]-Hydrogenase: Direct Transfer of the ( kappa 3 -cysteinate)Fe II (CN)(CO) 2 Complex B from HydG to HydE. Angew.Chem.Int.Ed.Engl., 62, 2023

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