8U5A
 
 | | Improving protein expression, stability, and function with ProteinMPNN | | Descriptor: | Designed myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kalvet, I, Bera, A.K, Baker, D. | | Deposit date: | 2023-09-12 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Improving Protein Expression, Stability, and Function with ProteinMPNN.
J.Am.Chem.Soc., 146, 2024
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5VF1
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5WOV
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5WRX
 | | VG13P structure in LPS | | Descriptor: | analogue peptide VG13P | | Authors: | Datta, A, Bhunia, A. | | Deposit date: | 2016-12-04 | | Release date: | 2017-05-10 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Dynamic Insights into a Glycine-Mediated Short Analogue of a Designed Peptide in Lipopolysaccharide Micelles: Correlation Between Compact Structure and Anti-Endotoxin Activity.
Biochemistry, 56, 2017
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5WOW
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5XG5
 | | Crystal structure of Mitsuba-1 with bound NAcGal | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MITSUBA-1 | | Authors: | Terada, D, Voet, A.R.D, Kamata, K, Zhang, K.Y.J, Tame, J.R.H. | | Deposit date: | 2017-04-12 | | Release date: | 2017-07-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Computational design of a symmetrical beta-trefoil lectin with cancer cell binding activity.
Sci Rep, 7, 2017
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4PBT
 | | Crystal structure of the M. jannaschii G2 tRNA synthetase variant bound to 4-trans-cyclooctene-amidopheylalanine (Tco-amF) | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 4-{[(1R,4E)-cyclooct-4-en-1-ylcarbonyl]amino}-L-phenylalanine, GLYCEROL, ... | | Authors: | Cooley, R.B, Karplus, P.A, Mehl, R.A. | | Deposit date: | 2014-04-13 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Gleaning Unexpected Fruits from Hard-Won Synthetases: Probing Principles of Permissivity in Non-canonical Amino Acid-tRNA Synthetases.
Chembiochem, 15, 2014
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7RXD
 | | CryoEM structure of RBD domain of COVID-19 in complex with Legobody | | Descriptor: | Fab_8D3_2 heavy chain, Fab_8D3_2 light chain, Maltodextrin-binding protein,Immunoglobulin G-binding protein A,Immunoglobulin G-binding protein G, ... | | Authors: | Wu, X.D, Rapoport, T.A. | | Deposit date: | 2021-08-22 | | Release date: | 2021-10-06 | | Last modified: | 2021-10-20 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structure determination of small proteins by nanobody-binding scaffolds (Legobodies).
Proc.Natl.Acad.Sci.USA, 118, 2021
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7RXC
 | | CryoEM structure of KDELR with Legobody | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ER lumen protein-retaining receptor 2, Fab_8D3_2 heavy chain, ... | | Authors: | Wu, X.D, Rapoport, T.A. | | Deposit date: | 2021-08-22 | | Release date: | 2021-10-06 | | Last modified: | 2021-10-20 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure determination of small proteins by nanobody-binding scaffolds (Legobodies).
Proc.Natl.Acad.Sci.USA, 118, 2021
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4PH4
 | | The crystal structure of Human VPS34 in complex with PIK-III | | Descriptor: | 4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | | Authors: | Knapp, M.S, Elling, R.A. | | Deposit date: | 2014-05-04 | | Release date: | 2014-10-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Selective VPS34 inhibitor blocks autophagy and uncovers a role for NCOA4 in ferritin degradation and iron homeostasis in vivo.
Nat.Cell Biol., 16, 2014
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4PBS
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6RC8
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4PBR
 | | Crystal structure of the M. jannaschii G2 tRNA synthetase variant bound to 4-(2-bromoisobutyramido)-phenylalanine (BibaF) | | Descriptor: | 4-[(2-bromo-2-methylpropanoyl)amino]-L-phenylalanine, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Cooley, R.B, Karplus, P.A, Mehl, R.A. | | Deposit date: | 2014-04-13 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Gleaning Unexpected Fruits from Hard-Won Synthetases: Probing Principles of Permissivity in Non-canonical Amino Acid-tRNA Synthetases.
Chembiochem, 15, 2014
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7S9Z
 | | Helicobacter Hepaticus CcsBA Closed Conformation | | Descriptor: | Cytochrome c biogenesis protein, HEME B/C, PHOSPHATIDYLETHANOLAMINE | | Authors: | Mendez, D.L, Lowder, E.P, Tillman, D.E, Sutherland, M.C, Collier, A.L, Rau, M.J, Fitzpatrick, J.A, Kranz, R.G. | | Deposit date: | 2021-09-21 | | Release date: | 2021-12-22 | | Last modified: | 2022-01-12 | | Method: | ELECTRON MICROSCOPY (4.14 Å) | | Cite: | Cryo-EM of CcsBA reveals the basis for cytochrome c biogenesis and heme transport.
Nat.Chem.Biol., 18, 2022
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7S9Y
 | | Helicobacter Hepaticus CcsBA Open Conformation | | Descriptor: | Cytochrome c biogenesis protein, HEME B/C, PHOSPHATIDYLETHANOLAMINE | | Authors: | Mendez, D.L, Lowder, E.P, Tillman, D.E, Sutherland, M.C, Collier, A.L, Rau, M.J, Fitzpatrick, J.A, Kranz, R.G. | | Deposit date: | 2021-09-21 | | Release date: | 2021-12-22 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.56 Å) | | Cite: | Cryo-EM of CcsBA reveals the basis for cytochrome c biogenesis and heme transport.
Nat.Chem.Biol., 18, 2022
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6RAP
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6RAO
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4PFN
 | | Crystal structure of Plasmodium vivax SHMT with L-serine Schiff base | | Descriptor: | CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, SERINE, ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U. | | Deposit date: | 2014-04-30 | | Release date: | 2014-12-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
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7NLV
 | | WILDTYPE CORE-STREPTAVIDIN WITH a conjugated BIOTINYLATED PYRROLIDINE II | | Descriptor: | 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, Streptavidin | | Authors: | Nodling, A.R, Santi, N, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y. | | Deposit date: | 2021-02-22 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | The role of streptavidin and its variants in catalysis by biotinylated secondary amines.
Org.Biomol.Chem., 19, 2021
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4PFF
 | | Crystal structure of Plasmodium vivax SHMT with PLP Schiff base | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, putative | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U. | | Deposit date: | 2014-04-29 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
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5I7R
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 2 [3-(3-([1,1'-biphenyl]-3-yl)ureido)benzoic acid] | | Descriptor: | 3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid, ACETATE ION, O-phosphoserine sulfhydrylase, ... | | Authors: | Schnell, R, Maric, S, Schneider, G. | | Deposit date: | 2016-02-18 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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5I61
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5IPN
 | | SigmaS-transcription initiation complex with 4-nt nascent RNA | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Liu, B, Zuo, Y, Steitz, T.A. | | Deposit date: | 2016-03-09 | | Release date: | 2016-03-30 | | Last modified: | 2016-06-22 | | Method: | X-RAY DIFFRACTION (4.61 Å) | | Cite: | Structures of E. coli sigma S-transcription initiation complexes provide new insights into polymerase mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5I7H
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 6 [3-(3-(4-Bromophenyl)ureido)benzoic acid] | | Descriptor: | 3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid, CHLORIDE ION, O-phosphoserine sulfhydrylase, ... | | Authors: | Schnell, R, Maric, S, Schneider, G. | | Deposit date: | 2016-02-17 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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6RVZ
 | | Crystal structure of ANGEL2, a 2',3'-cyclic phosphatase, in complex with adenosine-2',3'-vanadate | | Descriptor: | ADENOSINE, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Kroupova, A, Jinek, M. | | Deposit date: | 2019-06-03 | | Release date: | 2020-05-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | ANGEL2 is a member of the CCR4 family of deadenylases with 2',3'-cyclic phosphatase activity.
Science, 369, 2020
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