6YMJ
 
 | | Crystal structure of the SAM-SAH riboswitch with adenosine. | | Descriptor: | 5-BROMOCYTIDINE 5'-(DIHYDROGEN PHOSPHATE), ADENOSINE, Chains: A,C,F,I,M,O, ... | | Authors: | Huang, L, Lilley, D.M.J. | | Deposit date: | 2020-04-08 | | Release date: | 2020-07-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 48, 2020
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5ACK
 | | Human PDK1 Kinase Domain in Complex with Allosteric Compound 7 Bound to the PIF-Pocket | | Descriptor: | 1-(4-CHLOROPHENETHYL)-2-(2-CHLOROPHENYL)-6-OXOPIPERIDINE-3-CARBOXYLIC ACID, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Schulze, J.O, Kroon, E, Doemling, A, Biondi, R.M. | | Deposit date: | 2015-08-17 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5AB3
 | | S.enterica HisA mutant D7N, D10G, dup13-15, Q24L, G102A | | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, SODIUM ION, [(2R,3S,4R,5R)-5-[4-AMINOCARBONYL-5-[[(Z)-[(3R,4R)-3,4-DIHYDROXY-2-OXO-5-PHOSPHONOOXY-PENTYL]IMINOMETHYL]AMINO]IMIDAZOL-1-YL]-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE | | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | | Deposit date: | 2015-07-31 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6EXM
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202) | | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | | Authors: | Grundstrom, C, Begum, A, Hall, M, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2017-11-08 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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5AFI
 | | 2.9A Structure of E. coli ribosome-EF-TU complex by cs-corrected cryo-EM | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Fischer, N, Neumann, P, Konevega, A.L, Bock, L.V, Ficner, R, Rodnina, M.V, Stark, H. | | Deposit date: | 2015-01-22 | | Release date: | 2015-03-11 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure of the E. coli ribosome-EF-Tu complex at <3 angstrom resolution by Cs-corrected cryo-EM.
Nature, 520, 2015
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6XFJ
 | | Crystal structure of the type III secretion pilotin InvH | | Descriptor: | CADMIUM ION, CHLORIDE ION, SODIUM ION, ... | | Authors: | Majewski, D.D, Okon, M, Heinkel, F, Robb, C.S, Vuckovic, M, McIntosh, L.P, Strynadka, N.C.J. | | Deposit date: | 2020-06-15 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods.
Structure, 29, 2021
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6EXL
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - folded HTH motif | | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | | Authors: | Hall, M, Grundstrom, C, Begum, A, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2017-11-08 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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5TPP
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5TSZ
 | | Crystal structure of Plasmodium vivax CelTOS | | Descriptor: | Pv cell-traversal protein, SODIUM ION | | Authors: | Tolia, N.H, Jimah, J.R. | | Deposit date: | 2016-10-31 | | Release date: | 2016-12-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | Malaria parasite CelTOS targets the inner leaflet of cell membranes for pore-dependent disruption.
Elife, 5, 2016
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3IMM
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5U17
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5U4U
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6EXI
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3WG7
 | | A 1.9 angstrom radiation damage free X-ray structure of large (420KDa) protein by femtosecond crystallography | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Hirata, K, Shinzawa-Itoh, K, Yano, N, Takemura, S, Kato, K, Hatanaka, M, Muramoto, K, Kawahara, T, Tsukihara, T, Yamashita, E, Tono, K, Ueno, G, Hikima, T, Murakami, H, Inubushi, Y, Yabashi, M, Ishikawa, T, Yamamoto, M, Ogura, T, Sugimoto, H, Shen, J.R, Yoshikawa, S, Ago, H. | | Deposit date: | 2013-07-29 | | Release date: | 2014-04-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL.
Nat.Methods, 11, 2014
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5SV5
 | | 1.0 Angstrom Crystal Structure of pre-Peptidase C-terminal Domain of Collagenase from Bacillus anthracis. | | Descriptor: | Microbial collagenase, SODIUM ION | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-08-04 | | Release date: | 2016-08-17 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | 1.0 Angstrom Crystal Structure of pre-Peptidase C-terminal Domain of Collagenase from Bacillus anthracis.
To Be Published
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5C3Z
 | | Crystal structure of human ribokinase in complex with AMPPCP in C2 spacegroup | | Descriptor: | CHLORIDE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ribokinase, ... | | Authors: | Park, J, Chakrabarti, J, Singh, B, Gupta, R.S, Junop, M.S. | | Deposit date: | 2015-06-17 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of human ribokinase in complex with AMPPCP in C2 spacegroup
To Be Published
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3ISB
 | | Binary complex of human DNA polymerase beta with a gapped DNA | | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | Authors: | Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H. | | Deposit date: | 2009-08-25 | | Release date: | 2009-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | DNA polymerase beta substrate specificity: side chain modulation of the "A-rule".
J.Biol.Chem., 284, 2009
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6FBY
 | | Crystal structure of C-terminal modified Tau peptide-hybrid 4.2b with 14-3-3sigma | | Descriptor: | (2~{R})-2-[(~{S})-(3-methylphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ... | | Authors: | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | | Deposit date: | 2017-12-20 | | Release date: | 2018-05-16 | | Last modified: | 2019-02-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
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6FI5
 | | Crystal structure of C-terminal modified Tau peptide-hybrid 3.2d with 14-3-3sigma | | Descriptor: | (2~{S})-2-(diphenylmethyl)pyrrolidine, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | | Deposit date: | 2018-01-17 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
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5T2T
 | | Crystal structure of Lymphocytic choriomeningitis mammarenavirus endonuclease bound to compound L742001 | | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Saez-Ayala, M, Yekwa, E.L, Canard, B, Alvarez, K, Ferron, F. | | Deposit date: | 2016-08-24 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.967 Å) | | Cite: | Crystal structures ofLymphocytic choriomeningitis virusendonuclease domain complexed with diketo-acid ligands.
IUCrJ, 5, 2018
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6F92
 | | Structure of the family GH92 alpha-mannosidase BT3965 from Bacteroides thetaiotaomicron in complex with Mannoimidazole (ManI) | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2017-12-13 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Acta Crystallogr D Struct Biol, 74, 2018
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6FBW
 | | Crystal structure of C-terminal modified Tau peptide-hybrid 4.2f-II with 14-3-3sigma | | Descriptor: | (2~{R})-2-[(~{S})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-GLY, ... | | Authors: | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | | Deposit date: | 2017-12-20 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
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3K4G
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6WU6
 | | succinate-coenzyme Q reductase | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Lyu, M, Su, C.-C, Morgan, C.E, Yu, E.W. | | Deposit date: | 2020-05-04 | | Release date: | 2021-02-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
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6YRO
 | | Streptococcus suis SadP mutant - N285D | | Descriptor: | GLYCEROL, SODIUM ION, SadP | | Authors: | Papageorgiou, A.C, Haataja, S. | | Deposit date: | 2020-04-20 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The binding mechanism of the virulence factor Streptococcus suis adhesin P subtype to globotetraosylceramide is associated with systemic disease.
J.Biol.Chem., 295, 2020
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