PDB: 30805 resultsInfo pagesStatus searchChemie searchBIRD

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7N08	Crystal structure of the 3D6 antibody fragment bound to the HIV-1 gp41 immunodominant region Descriptor: Fab 3D6 heavy chain, Fab 3D6 light chain, HIV-1 gp41 immunodominant region Authors: Cook, J.D, Lee, J.E. Deposit date: 2021-05-25 Release date: 2022-03-30 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2 Å) Cite: Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies. Commun Biol, 5, 2022
8CKM	Semaphorin-5A TSR 3-4 domains Descriptor: Semaphorin-5A Authors: Nagy, G.N, Duman, R, Harlos, K, El Omari, K, Wagner, A, Jones, E.Y. Deposit date: 2023-02-15 Release date: 2024-02-28 Method: X-RAY DIFFRACTION (2.72 Å) Cite: Semaphorin-5A TSR 3-4 domains To Be Published
8CKG	Semaphorin-5A TSR 3-4 domains in complex with sulfate Descriptor: SULFATE ION, Semaphorin-5A, alpha-D-mannopyranose Authors: Nagy, G.N, Duman, R, Harlos, K, El Omari, K, Wagner, A, Jones, E.Y. Deposit date: 2023-02-15 Release date: 2024-02-28 Method: X-RAY DIFFRACTION (1.714 Å) Cite: Semaphorin-5A TSR 3-4 domains in complex with sulfate To Be Published
8OWR	Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(3,4-dihydroxyphenyl)-5-(3-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid Descriptor: 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid, ACETATE ION, CALCIUM ION, ... Authors: Mendes, V, Blundell, T.L. Deposit date: 2023-04-28 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (2.439 Å) Cite: Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach. To Be Published
6ADE	Crystal structure of phosphorylated mutant of glyceraldehyde 3-phosphate dehydrogenase from human placenta at 3.15A resolution Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Dilawari, R, Singh, P.K, Raje, M, Sharma, S, Singh, T.P. Deposit date: 2018-07-31 Release date: 2018-08-22 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (3.15 Å) Cite: Crystal structure of phosphorylated mutant of glyceraldehyde 3-phosphate dehydrogenase from human placenta at 3.15A resolution To Be Published
6OWC	Mutant estrogen receptor alpha (ERa) Y537S covalently bound to H3B-6545. Descriptor: (2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide, 1,2-ETHANEDIOL, Estrogen receptor Authors: Larsen, N.A. Deposit date: 2019-05-09 Release date: 2019-06-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Mutant estrogen receptor alpha (ERa) Y537S covalently bound to H3B-6545. To Be Published
8CKK	Semaphorin-5A TSR 3-4 domains in complex with nitrate Descriptor: NITRATE ION, Semaphorin-5A, alpha-D-mannopyranose Authors: Nagy, G.N, Duman, R, Harlos, K, El Omari, K, Wagner, A, Jones, E.Y. Deposit date: 2023-02-15 Release date: 2024-02-28 Method: X-RAY DIFFRACTION (1.56 Å) Cite: Semaphorin-5A TSR 3-4 domains in complex with nitrate To Be Published
6O8N	Crystal Structure of C9S tetrasulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus. Descriptor: SULFATE ION, Transcriptional regulator, ArsR family Authors: Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P. Deposit date: 2019-03-11 Release date: 2020-04-01 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structural basis for persulfide-sensing specificity in a transcriptional regulator. Nat.Chem.Biol., 17, 2021
5ADC	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((5-((Methylamino)methyl)pyridin-3-yl)oxy)methyl) quinolin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2015-08-20 Release date: 2015-10-28 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
6OWX	Spy H96L:Im7 L18pI-Phe complex; multiple anomalous datasets contained herein for element identification Descriptor: CHLORIDE ION, IMIDAZOLE, IODIDE ION, ... Authors: Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S. Deposit date: 2019-05-12 Release date: 2019-05-29 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.06 Å) Cite: Identifying dynamic, partially occupied residues using anomalous scattering. Acta Crystallogr D Struct Biol, 75, 2019
7N05	Crystal structure of the F240 antibody fragment bound to the HIV-1 gp41 immunodominant region Descriptor: ACETATE ION, Fab F240 heavy chain, Fab F240 light chain, ... Authors: Cook, J.D, Lee, J.E. Deposit date: 2021-05-25 Release date: 2022-03-30 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies. Commun Biol, 5, 2022
6LOA	Crystal structure of RORgammat with ligand C46D bound Descriptor: 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide, Nuclear receptor ROR-gamma Authors: Feng, Y, Shijie, C. Deposit date: 2020-01-04 Release date: 2021-01-06 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.50003314 Å) Cite: Crystal structure of RORgammat with ligand C46D bound To Be Published
8CKL	Semaphorin-5A TSR 3-4 domains in complex with sucrose octasulfate (SOS) Descriptor: 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-2)-1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose, Semaphorin-5A, alpha-D-mannopyranose Authors: Nagy, G.N, Duman, R, Harlos, K, El Omari, K, Wagner, A, Jones, E.Y. Deposit date: 2023-02-15 Release date: 2024-02-28 Method: X-RAY DIFFRACTION (2.56 Å) Cite: Semaphorin-5A TSR 3-4 domains in complex with sucrose octasulfate (SOS) To Be Published
8OWB	Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid Descriptor: 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ... Authors: Mendes, V, Blundell, T.L. Deposit date: 2023-04-27 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach. To Be Published
8CK9	DyP-type peroxidase from Thermobifida halotolerans Descriptor: NITRATE ION, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase Authors: Pupart, H, Lukk, T. Deposit date: 2023-02-14 Release date: 2024-02-28 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Dye-decolorizing peroxidase of Thermobifida halotolerance displays complex kinetics with both substrate inhibition and apparent positive cooperativity. Arch.Biochem.Biophys., 754, 2024
7VQC	Structure of MA1831 from Methanosarcina acetivorans in complex with pyrophosphate Descriptor: Di-trans-poly-cis-decaprenylcistransferase, PYROPHOSPHATE 2-, SULFATE ION Authors: Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T. Deposit date: 2021-10-19 Release date: 2022-08-31 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation. Int.J.Biol.Macromol., 214, 2022
6LOI	Crystal structure of Enterococcus faecalis Undecaprenyl pyrophosphate synthase(EfaUPPS) Descriptor: Isoprenyl transferase Authors: Lin, W, Wang, C.Y, Li, W.J, Wang, F.L. Deposit date: 2020-01-05 Release date: 2020-06-17 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.503 Å) Cite: Investigations into the Antibacterial Mechanism of Action of Viridicatumtoxins. Acs Infect Dis., 6, 2020
6ULP	BRD3-BD2 in complex with the cyclic peptide 3.2_3 Descriptor: Bromodomain-containing protein 3, Cyclic peptide 3.2_3 Authors: Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. Deposit date: 2019-10-08 Release date: 2020-08-19 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
8OW5	Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 5-methoxy-1H-indole-2-carboxylic acid Descriptor: 5-methoxy-1H-indole-2-carboxylic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ... Authors: Mendes, V, Blundell, T.L. Deposit date: 2023-04-27 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (2.84 Å) Cite: Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach. To Be Published
5ADD	Structure of rat neuronal nitric oxide synthase d597n m336v mutant heme domain in complex with 7-((3-(methylamino)methyl) phenoxy)methyl)quinolin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2015-08-20 Release date: 2015-10-28 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
8OWW	B5-5 nanobody bound to SARS-CoV-2 spike RBD (Wuhan) Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, B5-5 nanobody, ... Authors: Cornish, K.A.S, Naismith, J.H, Owens, R.J. Deposit date: 2023-04-28 Release date: 2024-05-08 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.969 Å) Cite: Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2. Open Biology, 14, 2024
7VCG	Thaumatin protected by alginate gel Descriptor: GLYCEROL, L(+)-TARTARIC ACID, Thaumatin I Authors: Muroyama, H, Tomoike, F, Nagae, T, Okada, T. Deposit date: 2021-09-03 Release date: 2022-09-07 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Post-crystallization protection of protein crystals to be published
8CO5	The surface-engineered photosensory module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) in the Pr form with parallel dimer formation Descriptor: 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein, MAGNESIUM ION Authors: Schmidt, A, Sauthof, L, Krauss, N, Scheerer, P. Deposit date: 2023-02-27 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (2.42 Å) Cite: Crystal structures of a bacterial phytochrome exhibiting a group-subgroup relationship reveal pronounced flexibility of the photosensory core module in the Pr state To Be Published
5A3C	Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in complex with NAD Descriptor: 1,2-ETHANEDIOL, GLYCINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... Authors: Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I. Deposit date: 2015-05-28 Release date: 2015-07-29 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens. Mol.Cell, 59, 2015
8COD	Crystal structure of S-adenosyl-L-homocysteine hydrolase from Mus musculus in complex with inosine Descriptor: Adenosylhomocysteinase, INOSINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... Authors: Saleem-Batcha, R, Popadic, D, Koeppl, L.H, Andexer, J.N. Deposit date: 2023-02-27 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (2.48 Å) Cite: Crystal structure of S-adenosyl-L-homocysteine hydrolase from Mus musculus in complex with inosine To Be Published

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