5N86
 
 | | Crystal structure of FAS1 domain of hyaluronic acid receptor stabilin-2 | | Descriptor: | Stabilin-2 | | Authors: | Twarda-Clapa, A, Labuzek, B, Grudnik, P, Dubin, G, Holak, T.A. | | Deposit date: | 2017-02-23 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.484 Å) | | Cite: | Crystal structure of the FAS1 domain of the hyaluronic acid receptor stabilin-2.
Acta Crystallogr D Struct Biol, 74, 2018
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2BN6
 | | P-Element Somatic Inhibitor Protein | | Descriptor: | PSI | | Authors: | Ignjatovic, T, Yang, J.C, Butler, P.J.G, Neuhaus, D, Nagai, K. | | Deposit date: | 2005-03-21 | | Release date: | 2005-07-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis of the Interaction between P-Element Somatic Inhibitor and U1-70K Essential for the Alternative Splicing of P-Element Transposase.
J.Mol.Biol., 351, 2005
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8U57
 | | PPARg LBD in complex with perfluorooctanoic acid (PFOA) | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peroxisome proliferator-activated receptor gamma, pentadecafluorooctanoic acid | | Authors: | Pederick, J.L, Frkic, R.L, McDougal, D.P, Bruning, J.B. | | Deposit date: | 2023-09-12 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A structural basis for the activation of peroxisome proliferator-activated receptor gamma (PPAR gamma ) by perfluorooctanoic acid (PFOA).
Chemosphere, 354, 2024
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8AJK
 | | Crystal structure of a C43S variant from the disulfide reductase MerA from Staphylococcus aureus | | Descriptor: | FAD-containing oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Weiland, P, Altegoer, F, Bange, G. | | Deposit date: | 2022-07-28 | | Release date: | 2023-03-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | MerA functions as a hypothiocyanous acid reductase and defense mechanism in Staphylococcus aureus.
Mol.Microbiol., 119, 2023
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5N5H
 | | Crystal structure of metallo-beta-lactamase VIM-1 in complex with ML302F inhibitor | | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Salimraj, R, Hinchliffe, P, Spencer, J. | | Deposit date: | 2017-02-14 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
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8VIF
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5MZG
 | | Crystal structure of mouse MTH1 in complex with TH588 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION, ... | | Authors: | Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P. | | Deposit date: | 2017-01-31 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
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8P2W
 | | Structure of human SIT1 (focussed map / refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Sodium- and chloride-dependent transporter XTRP3 | | Authors: | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | | Deposit date: | 2023-05-16 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
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6MEI
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4FR4
 | | Crystal structure of human serine/threonine-protein kinase 32A (YANK1) | | Descriptor: | 1,2-ETHANEDIOL, STAUROSPORINE, Serine/threonine-protein kinase 32A | | Authors: | Chaikuad, A, Elkins, J.M, Krojer, T, Mahajan, P, Goubin, S, Szklarz, M, Tumber, A, Wang, J, Savitsky, P, Shrestha, B, Daga, N, Picaud, S, Fedorov, O, Allerston, C.K, Latwiel, S.V.A, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-06-26 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
To be Published
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4DJK
 | | Structure of glutamate-GABA antiporter GadC | | Descriptor: | Probable glutamate/gamma-aminobutyrate antiporter | | Authors: | Ma, D, Lu, P.L, Yan, C.Y, Fan, C, Yin, P, Wang, J.W, Shi, Y.G. | | Deposit date: | 2012-02-02 | | Release date: | 2012-03-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.097 Å) | | Cite: | Structure and mechanism of a glutamate-GABA antiporter
Nature, 483, 2012
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6MED
 | | Crystal structure of broadly neutralizing antibody HEPC3 | | Descriptor: | SULFATE ION, antibody HEPC3 Heavy Chain, antibody HEPC3 Light Chain | | Authors: | Flyak, A.I, Bjorkman, P.J. | | Deposit date: | 2018-09-06 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | HCV Broadly Neutralizing Antibodies Use a CDRH3 Disulfide Motif to Recognize an E2 Glycoprotein Site that Can Be Targeted for Vaccine Design.
Cell Host Microbe, 24, 2018
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8P8H
 | | Crystal structure of HHD2 domain of hRTEL1 | | Descriptor: | Regulator of telomere elongation helicase 1 | | Authors: | Hegde, R.P, Kanade, M, Cortone, G, Graewert, M, Longo, A, Gonzalez, A, Chaves-Arquero, B, Blanco, F.J, Napolitano, L.M.R, Onesti, S. | | Deposit date: | 2023-06-01 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of HHD2 domain of hRTEL1
To Be Published
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6MEM
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8P5L
 | | Kinase domain of mutant human ULK1 in complex with compound MRT67307 | | Descriptor: | MAGNESIUM ION, N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase ULK1 | | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | | Deposit date: | 2023-05-24 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.836 Å) | | Cite: | Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
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3USD
 | | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Imidazol (1,2 a) pyridine3-yl-acitic acid at 2.4 A Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-terminal peptide of Lactotransferrin, ... | | Authors: | Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2011-11-23 | | Release date: | 2011-12-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Imidazol (1,2 a) pyridine3-yl-acitic acid at 2.4 A Resolution
To be Published
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1GDN
 | | FUSARIUM OXYSPORUM TRYPSIN AT ATOMIC RESOLUTION | | Descriptor: | GLY-ALA-LYS, GLYCEROL, SULFATE ION, ... | | Authors: | Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S. | | Deposit date: | 2000-09-28 | | Release date: | 2001-02-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (0.81 Å) | | Cite: | Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding.
Acta Crystallogr.,Sect.D, 57, 2001
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2PCY
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1GGP
 | | CRYSTAL STRUCTURE OF TRICHOSANTHES KIRILOWII LECTIN-1 AND ITS RELATION TO THE TYPE 2 RIBOSOME INACTIVATING PROTEINS | | Descriptor: | PROTEIN (LECTIN 1 A CHAIN), PROTEIN (LECTIN 1 B CHAIN) | | Authors: | Li, M, Chai, J.J, Wang, Y.P, Wang, K.Y, Bi, R.C. | | Deposit date: | 2000-09-07 | | Release date: | 2003-03-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of Trichosanthes Kirilowii Lectin-1 and its Relation to the Type 2 Ribosome Inactivating Proteins
PROTEIN PEPT.LETT., 8, 2003
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3JD3
 | | Glutamate dehydrogenase in complex with NADH and GTP, open conformation | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ... | | Authors: | Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. | | Deposit date: | 2016-03-28 | | Release date: | 2016-04-27 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
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5N5I
 | | Crystal Structure of VIM-1 metallo-beta-lactamase in complex with hydrolysed meropenem | | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Salimraj, R, Hinchliffe, P, Spencer, J. | | Deposit date: | 2017-02-14 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
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4DSO
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, BENZAMIDINE, GLYCEROL, ... | | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | Deposit date: | 2012-02-19 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DSU
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | Descriptor: | BENZIMIDAZOLE, GTPase KRas, isoform 2B, ... | | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | Deposit date: | 2012-02-19 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8P3A
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7ZUL
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with 8Az lactone - Streptococcus pneumoniae R6 | | Descriptor: | 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide, CHLORIDE ION, Penicillin-binding protein 1b | | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.744 Å) | | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
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