7T76
 
 | | HIV-1 Envelope ApexGT3 in complex with PG9.iGL Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV Envelope ApexGT3 gp120, ... | | Authors: | Berndsen, Z.T, Ward, A.B. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-28 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (4.43 Å) | | Cite: | Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
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6O0B
 | | Structural and Mechanistic Insights into CO2 Activation by Nitrogenase Iron Protein | | Descriptor: | IRON/SULFUR CLUSTER, Nitrogenase iron protein | | Authors: | Rettberg, L.A, Stiebritz, M.T, Kang, W, Lee, C.C, Ribbe, M.W, Hu, Y. | | Deposit date: | 2019-02-15 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Mechanistic Insights into CO2Activation by Nitrogenase Iron Protein.
Chemistry, 25, 2019
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7T77
 | | HIV-1 Envelope ApexGT3.N130 in complex with PG9 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV Envelope ApexGT3.N130 gp120, ... | | Authors: | Berndsen, Z.T, Ward, A.B. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-28 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (4.75 Å) | | Cite: | Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
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7BMG
 | | Inhibitor of MDM2-p53 Interaction | | Descriptor: | (3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Williams, P.A. | | Deposit date: | 2021-01-20 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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5NME
 | | 868 TCR in complex with HLA A02 presenting SLYNTVATL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | Deposit date: | 2017-04-05 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Dual Molecular Mechanisms Govern Escape at Immunodominant HLA A2-Restricted HIV Epitope.
Front Immunol, 8, 2017
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6QA3
 | | ERK2 mini-fragment binding | | Descriptor: | Mitogen-activated protein kinase 1, PYRAZOLE, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6O12
 | | E. coli cysteine desulfurase SufS H123A | | Descriptor: | CHLORIDE ION, Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Dunkle, J.A, Frantom, P.A. | | Deposit date: | 2019-02-17 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Direct observation of intermediates in the SufS cysteine desulfurase reaction reveals functional roles of conserved active-site residues.
J.Biol.Chem., 294, 2019
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7T73
 | | HIV-1 Envelope ApexGT2.2MUT in complex with PCT64.LMCA Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV Envelope ApexGT2.2MUT gp120, ... | | Authors: | Berndsen, Z.T, Ward, A.B. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-28 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
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5NI6
 | | Crystal structure of human LTA4H mutant D375N in complex with LTA4 | | Descriptor: | 5S-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid, ACETIC ACID, Leukotriene A-4 hydrolase, ... | | Authors: | Stsiapanava, A. | | Deposit date: | 2017-03-23 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Capturing LTA4 hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4 synthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6YU6
 | | Crystal structure of MhsT in complex with L-leucine | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, LEUCINE, SODIUM ION, ... | | Authors: | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | | Deposit date: | 2020-04-25 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
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8UIQ
 | | H47Q NicC with 2-mercaptopyridine ligand | | Descriptor: | 2-PYRIDINETHIOL, 6-hydroxynicotinate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Hicks, K.A, Perry, K, Turlington, Z.R, Vaz Ferreira de Macedo, S. | | Deposit date: | 2023-10-10 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Ligand bound structure of a 6-hydroxynicotinic acid 3-monooxygenase provides mechanistic insights.
Arch.Biochem.Biophys., 752, 2024
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8CTF
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | | Descriptor: | 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ... | | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | | Deposit date: | 2022-05-14 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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6VXX
 | | Structure of the SARS-CoV-2 spike glycoprotein (closed state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Walls, A.C, Park, Y.J, Tortorici, M.A, Wall, A, Seattle Structural Genomics Center for Infectious Disease (SSGCID), McGuire, A.T, Veesler, D. | | Deposit date: | 2020-02-25 | | Release date: | 2020-03-11 | | Last modified: | 2021-01-27 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein.
Cell, 181, 2020
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6VYV
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6NBD
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8UIV
 | | H47Q NicC with bound FAD | | Descriptor: | 6-hydroxynicotinate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Hicks, K.A, Perry, K. | | Deposit date: | 2023-10-10 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.511 Å) | | Cite: | Ligand bound structure of a 6-hydroxynicotinic acid 3-monooxygenase provides mechanistic insights.
Arch.Biochem.Biophys., 752, 2024
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8FT4
 | | Multicrystal structure of Na+, leucine-bound LeuT determined at 5 keV | | Descriptor: | CHLORIDE ION, LEUCINE, Na(+):neurotransmitter symporter (Snf family), ... | | Authors: | Karasawa, A, Liu, H, Quick, M, Hendrickson, A.H, Liu, Q. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Crystallographic characterization of sodium ions in a bacterial leucine/sodium symporter
To be Published
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8FT5
 | | Crystal structure of LeuT soaked with Crown-5 | | Descriptor: | CHLORIDE ION, LEUCINE, Na(+):neurotransmitter symporter (Snf family), ... | | Authors: | Karasawa, A, Liu, H, Quick, M, Hendrickson, A.H, Liu, Q. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Crystallographic characterization of sodium ions in a bacterial leucine/sodium symporter
To be Published
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8DJV
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide | | Descriptor: | 6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | | Deposit date: | 2022-07-01 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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6NDI
 | | Crystal Structure of the Sugar Binding Domain of LacI Family Protein from Klebsiella pneumoniae | | Descriptor: | Transcriptional regulator | | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-12-13 | | Release date: | 2018-12-26 | | Last modified: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
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6W02
 | | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in the complex with ADP ribose | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3 | | Authors: | Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-02-28 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
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6W09
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7BHS
 | | Crystal structure of MAT2a with quinazoline fragment 2 bound in the allosteric site | | Descriptor: | 6-chloranyl-2-methoxy-4-phenyl-quinazoline, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | Deposit date: | 2021-01-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
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8DBR
 | | E. coli ATP synthase imaged in 10mM MgATP State2 "half-up | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Sobti, M, Stewart, A.G. | | Deposit date: | 2022-06-14 | | Release date: | 2023-01-25 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Changes within the central stalk of E. coli F 1 F o ATP synthase observed after addition of ATP.
Commun Biol, 6, 2023
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6W1C
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