1BN0
 
 | | SL3 HAIRPIN FROM THE PACKAGING SIGNAL OF HIV-1, NMR, 11 STRUCTURES | | Descriptor: | SL3 RNA HAIRPIN | | Authors: | Pappalardo, L, Kerwood, D.J, Pelczer, I, Borer, P.N. | | Deposit date: | 1998-07-31 | | Release date: | 1999-04-27 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional folding of an RNA hairpin required for packaging HIV-1.
J.Mol.Biol., 282, 1998
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2W7Q
 | | Structure of Pseudomonas aeruginosa LolA | | Descriptor: | GLYCEROL, OUTER-MEMBRANE LIPOPROTEIN CARRIER PROTEIN | | Authors: | Remans, K, Pauwels, K, van Ulsen, P, Savvides, S, Decanniere, K, Cornelis, P, Tommassen, J, Van Gelder, P. | | Deposit date: | 2008-12-23 | | Release date: | 2009-12-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Hydrophobic Surface Patches on Lola of Pseudomonas Aeruginosa are Essential for Lipoprotein Binding.
J.Mol.Biol., 401, 2010
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7PVH
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5T4U
 | | Crystal structure of the bromodomain of human BRPF1 in complex with a quinolinone ligand | | Descriptor: | 1-METHYLQUINOLIN-2(1H)-ONE, NITRATE ION, Peregrin | | Authors: | Tallant, C, Igoe, N, Bayle, E.D, Nunez-Alonso, G, Newman, J.A, Mathea, S, Savitsky, P, Fedorov, O, Brennan, P.E, Muller, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fish, P, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-08-30 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies.
J. Med. Chem., 60, 2017
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4XJZ
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6V1D
 | | Crystal structure of human trefoil factor 1 | | Descriptor: | Trefoil factor 1 | | Authors: | Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D. | | Deposit date: | 2019-11-20 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
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7L09
 | | Cryo-EM structure of SARS-CoV-2 2P S ectodomain bound domain-swapped antibody 2G12 from masked 3D refinement | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2G12 heavy chain, ... | | Authors: | Manne, K, Henderson, R, Acharya, P. | | Deposit date: | 2020-12-11 | | Release date: | 2020-12-30 | | Last modified: | 2021-06-09 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
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7Q0X
 | | Bovine Trypsin co-crystallized with V(IV)OSO4 and pic | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | | Deposit date: | 2021-10-16 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
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7Q0U
 | | Lysozyme soaked with V(IV)OSO4 and bipy | | Descriptor: | 2,2'-bipyridine, ACETATE ION, CHLORIDE ION, ... | | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | | Deposit date: | 2021-10-16 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
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1BL6
 | | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB216995 | | Descriptor: | 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE, PROTEIN (MAP KINASE P38) | | Authors: | Wang, Z, Canagarajah, B.J, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J. | | Deposit date: | 1998-07-11 | | Release date: | 1999-07-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
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6UX5
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7PX8
 | | CryoEM structure of mammalian acylaminoacyl-peptidase | | Descriptor: | Acylamino-acid-releasing enzyme | | Authors: | Kiss-Szeman, A.J, Harmat, V, Menyhard, D.K, Straner, P, Jakli, I, Hosogi, N, Perczel, A. | | Deposit date: | 2021-10-08 | | Release date: | 2022-05-25 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Cryo-EM structure of acylpeptide hydrolase reveals substrate selection by multimerization and a multi-state serine-protease triad.
Chem Sci, 13, 2022
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7Q0W
 | | Bovine Trypsin co-crystallized with V(IV)OSO4 and phen | | Descriptor: | 1,10-PHENANTHROLINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | | Deposit date: | 2021-10-16 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
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2W9B
 | | Binary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA | | Descriptor: | 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOCP)-3', 5'-D(*TP*CP*AP*TP*M2GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', DNA POLYMERASE IV, ... | | Authors: | Eoff, R.L, Zhang, H, Kosekov, I.D, Rizzo, C.J, Egli, M, Guengerich, F.P. | | Deposit date: | 2009-01-22 | | Release date: | 2009-05-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure-Function Relationships in Miscoding by Sulfolobus Solfataricus DNA Polymerase Dpo4: Guanine N2,N2-Dimethyl Substitution Produces Inactive and Miscoding Polymerase Complexes.
J.Biol.Chem., 284, 2009
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3IJE
 | | Crystal structure of the complete integrin alhaVbeta3 ectodomain plus an Alpha/beta transmembrane fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Xiong, J.-P, Mahalingham, B, Rui, X, Hyman, B.T, Goodman, S.L, Arnaout, M.A. | | Deposit date: | 2009-08-04 | | Release date: | 2009-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the complete integrin alphaVbeta3 ectodomain plus an alpha/beta transmembrane fragment.
J.Cell Biol., 186, 2009
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5J20
 | | HSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-N-furan-2-ylmethyl-2,4-dihydroxy-N-methyl-benzamide | | Descriptor: | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(furan-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide, Heat shock protein HSP 90-alpha | | Authors: | Amaral, M, Matias, P. | | Deposit date: | 2016-03-29 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
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3WCD
 | | The complex structure of HsSQS wtih ligand, WC-9 | | Descriptor: | 2-(4-phenoxyphenoxy)ethyl thiocyanate, Squalene synthase | | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | | Deposit date: | 2013-05-27 | | Release date: | 2014-06-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
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6EYI
 | | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand BW69669 | | Descriptor: | (2~{R})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | | Deposit date: | 2017-11-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | E-selectin lectin with different glycomimetic ligands
To Be Published
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4XRA
 | | Salmonella typhimurium AhpC T43S mutant | | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Perkins, A, Brereton, A.E, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | | Deposit date: | 2015-01-20 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
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5YFX
 | | Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate and AMP | | Descriptor: | 1,5-di-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, Ribose 1,5-bisphosphate isomerase | | Authors: | Gogoi, P, Kanaujia, S.P. | | Deposit date: | 2017-09-22 | | Release date: | 2018-02-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
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7Q6J
 | | Crystal structure of the human GDAP1 CMT2 mutant-H123R | | Descriptor: | DI(HYDROXYETHYL)ETHER, Ganglioside-induced differentiation-associated protein 1 | | Authors: | Sutinen, A, Kursula, P. | | Deposit date: | 2021-11-08 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into Charcot-Marie-Tooth disease-linked mutations in human GDAP1.
Febs Open Bio, 12, 2022
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8A1A
 | | Structure of a leucinostatin derivative determined by host lattice display : L1F11V1 construct | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, ... | | Authors: | Mittl, P.R.E. | | Deposit date: | 2022-06-01 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of a hydrophobic leucinostatin derivative determined by host lattice display.
Acta Crystallogr D Struct Biol, 78, 2022
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3I7S
 | | Dihydrodipicolinate synthase mutant - K161A - with the substrate pyruvate bound in the active site. | | Descriptor: | Dihydrodipicolinate synthase, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Dobson, R.C.J, Jameson, G.B, Gerrard, J.A, Soares da Costa, T.P. | | Deposit date: | 2009-07-08 | | Release date: | 2010-04-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | How essential is the 'essential' active-site lysine in dihydrodipicolinate synthase?
Biochimie, 92, 2010
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6AW9
 | | 2.55A resolution structure of SAH bound catechol O-methyltransferase (COMT) L136M from Nannospalax galili | | Descriptor: | CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J. | | Deposit date: | 2017-09-05 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
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1JP4
 | | Crystal Structure of an Enzyme Displaying both Inositol-Polyphosphate 1-Phosphatase and 3'-Phosphoadenosine-5'-Phosphate Phosphatase Activities | | Descriptor: | 3'(2'),5'-bisphosphate nucleotidase, ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, ... | | Authors: | Patel, S, Yenush, L, Rodriguez, P.L, Serrano, R, Blundell, T.L. | | Deposit date: | 2001-08-01 | | Release date: | 2001-08-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structure of an enzyme displaying both inositol-polyphosphate-1-phosphatase and 3'-phosphoadenosine-5'-phosphate phosphatase activities: a novel target of lithium therapy.
J.Mol.Biol., 315, 2002
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