3FRM
 
 | | The crystal structure of a functionally unknown conserved protein from Staphylococcus epidermidis ATCC 12228. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SODIUM ION, SULFATE ION, ... | | Authors: | Tan, K, Sather, A, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-01-08 | | Release date: | 2009-01-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | The crystal structure of a functionally unknown conserved protein from Staphylococcus epidermidis ATCC 12228.
To be Published
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3MNE
 | | Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by F608S mutation at 1.96A | | Descriptor: | DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ... | | Authors: | Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A. | | Deposit date: | 2010-04-21 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
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7QI0
 | | Crystal structure of KLK6 in complex with compound DKFZ918 | | Descriptor: | (5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide, Kallikrein-6 | | Authors: | Jagtap, P.K.A, Baumann, A, Lohbeck, J, Isak, D, Miller, A, Hennig, J. | | Deposit date: | 2021-12-14 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Scalable synthesis and structural characterization of reversible KLK6 inhibitors.
Rsc Adv, 12, 2022
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7XQ6
 | | The complex structure of mutant Mpro with inhibitor | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION | | Authors: | Sahoo, P, Lenka, D.R, Kumar, A. | | Deposit date: | 2022-05-06 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
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5MZM
 | | Structure of H-2Db in complex with TEIPP APL Trh4 p3P | | Descriptor: | Beta-2-microglobulin, Ceramide synthase 5 derived peptide Trh4 p3P, GLYCEROL, ... | | Authors: | Hafstrand, I, Achour, A, Sandalova, T. | | Deposit date: | 2017-02-01 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Immunogenicity of a Proline-Substituted Altered Peptide Ligand toward the Cancer-Associated TEIPP Neoepitope Trh4 Is Unrelated to Complex Stability.
J. Immunol., 200, 2018
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5N52
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3MRO
 | | Crystal Structure of MHC class I HLA-A2 molecule complexed with Melan-A MART1 decapeptide variant | | Descriptor: | 10-meric peptide from Melanoma antigen recognized by T-cells 1, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Reiser, J.-B, Le Gorrec, M, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | | Deposit date: | 2010-04-29 | | Release date: | 2011-05-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Analysis of Relationships between Peptide/MHC Structural Features and Naive T Cell Frequency in Humans.
J.Immunol., 193, 2014
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1YJI
 | | RDC-refined Solution NMR structure of reduced putidaredoxin | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin | | Authors: | Jain, N.U, Tjioe, E, Savidor, A, Boulie, J. | | Deposit date: | 2005-01-14 | | Release date: | 2005-06-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Redox-dependent structural differences in putidaredoxin derived from homologous structure refinement via residual dipolar couplings.
Biochemistry, 44, 2005
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6N1P
 | | Dihedral oligomeric complex of GyrA N-terminal fragment with DNA, solved by cryoEM in C2 symmetry | | Descriptor: | DNA (44-MER), DNA gyrase subunit A | | Authors: | Soczek, K.M, Grant, T, Rosenthal, P.B, Mondragon, A. | | Deposit date: | 2018-11-10 | | Release date: | 2018-12-05 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (6.35 Å) | | Cite: | CryoEM structures of open dimers of Gyrase A in complex with DNA illuminate mechanism of strand passage.
Elife, 7, 2018
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3FYN
 | | Crystal structure from the mobile metagenome of Cole Harbour Salt Marsh: Integron Cassette Protein HFX_CASS3 | | Descriptor: | ACETATE ION, Integron gene cassette protein HFX_CASS3, MAGNESIUM ION | | Authors: | Sureshan, V, Deshpande, C.N, Harrop, S.J, Kudritska, M, Koenig, J.E, Evdokimova, E, Osipiuk, J, Edwards, A.M, Savchenko, A, Joachimiak, A, Doolittle, W.F, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-01-22 | | Release date: | 2009-02-10 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.449 Å) | | Cite: | Structure from the mobile metagenome of Cole Harbour Salt Marsh: Integron Cassette Protein HFX_CASS3
To be Published
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2W7U
 | | SplA serine protease of Staphylococcus aureus (2.4A) | | Descriptor: | SERINE PROTEASE SPLA | | Authors: | Stec-Niemczyka, J, Pustelny, K, Kisielewska, M, Bista, M, Boulware, K.T, Stennicke, H.R, Thogersen, I.B, Daugherty, P.S, Enghild, J.J, Popowicz, G.M, Dubin, A, Potempa, J, Dubin, G. | | Deposit date: | 2008-12-30 | | Release date: | 2010-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural and Functional Characterization of Spla, an Exclusively Specific Protease of Staphylococcus Aureus.
Biochem.J., 419, 2009
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6N4Y
 | | Metabotropic Glutamate Receptor 5 Extracellular Domain with Nb43 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ... | | Authors: | Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K. | | Deposit date: | 2018-11-20 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.262 Å) | | Cite: | Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
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6N48
 | | Structure of beta2 adrenergic receptor bound to BI167107, Nanobody 6B9, and a positive allosteric modulator | | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid Antibody Fragment, ... | | Authors: | Liu, X, Masoudi, A, Kahsai, A.W, Huang, L.Y, Pani, B, Hirata, K, Ahn, S, Lefkowitz, R.J, Kobilka, B.K. | | Deposit date: | 2018-11-17 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Mechanism of beta2AR regulation by an intracellular positive allosteric modulator.
Science, 364, 2019
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6FT8
 | | Crystal structure of CLK1 in complex with inhibitor 8g | | Descriptor: | 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one, CHLORIDE ION, ... | | Authors: | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-20 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
PLoS ONE, 13, 2018
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8PW8
 | | Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA2) | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A. | | Deposit date: | 2023-07-19 | | Release date: | 2023-11-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
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1YNR
 | | Crystal structure of the cytochrome c-552 from Hydrogenobacter thermophilus at 2.0 resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome c-552, HEME C, ... | | Authors: | Travaglini-Allocatelli, C, Gianni, S, Dubey, V.K, Borgia, A, Di Matteo, A, Bonivento, D, Cutruzzola, F, Bren, K.L, Brunori, M. | | Deposit date: | 2005-01-25 | | Release date: | 2005-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An Obligatory Intermediate in the Folding Pathway of Cytochrome c552 from Hydrogenobacter thermophilus
J.Biol.Chem., 280, 2005
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3BJD
 | | Crystal structure of putative 3-oxoacyl-(acyl-carrier-protein) synthase from Pseudomonas aeruginosa | | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, Putative 3-oxoacyl-(acyl-carrier-protein) synthase | | Authors: | Osipiuk, J, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-12-03 | | Release date: | 2007-12-11 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of putative 3-oxoacyl-(acyl-carrier-protein) synthase from Pseudomonas aeruginosa.
To be Published
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7X5P
 | | Truncated VhChiP (1-19aa) in complex with doxycycline | | Descriptor: | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Chitoporin, ... | | Authors: | Sanram, S, Robinson, C.R, Aunkham, A, Suginta, W. | | Deposit date: | 2022-03-05 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure and function of truncated VhChiP
To Be Published
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5N0D
 | | Crystal structure of human carbonic anhydrase II in complex with (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. | | Descriptor: | (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Di Fiore, A, De Simone, G. | | Deposit date: | 2017-02-02 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides.
J. Med. Chem., 60, 2017
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6N69
 | | rat hPGDS complexed with a quinoline | | Descriptor: | GLUTATHIONE, Hematopoietic prostaglandin D synthase, quinoline-3-carbonitrile | | Authors: | Shewchuk, L.M, Cleasby, A. | | Deposit date: | 2018-11-26 | | Release date: | 2019-03-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The discovery of quinoline-3-carboxamides as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors.
Bioorg. Med. Chem., 27, 2019
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8PWA
 | | Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA4) | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7~{H}-purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid, ACETATE ION, MAGNESIUM ION, ... | | Authors: | Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A. | | Deposit date: | 2023-07-19 | | Release date: | 2023-11-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
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7QHZ
 | | Crystal structure of KLK6 in complex with compound DKFZ917 | | Descriptor: | (5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide, GLYCEROL, Kallikrein-6 | | Authors: | Jagtap, P.K.A, Baumann, A, Lohbeck, J, Isak, D, Miller, A, Hennig, J. | | Deposit date: | 2021-12-14 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Scalable synthesis and structural characterization of reversible KLK6 inhibitors.
Rsc Adv, 12, 2022
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8PWB
 | | Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA6) | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A. | | Deposit date: | 2023-07-19 | | Release date: | 2023-11-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
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3B33
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6N9K
 | | Beta-lactamase from Escherichia coli str. Sakai | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ... | | Authors: | Osipiuk, J, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-12-03 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Beta-lactamase from Escherichia coli str. Sakai
to be published
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