6W6Y
 
 | | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in complex with AMP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, 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: | 2020-03-18 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.451 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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4P26
 | | Structure of the P domain from a GI.7 Norovirus variant in complex with A-type 2 HBGA | | Descriptor: | P domain of VP1, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | | Deposit date: | 2014-03-01 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
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2NCT
 | | NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in the presence of hexafluoroisopropanol | | Descriptor: | Envelope glycoprotein gp41 | | Authors: | Jimenez, M, Nieva, J.L, Rujas, E, Partida-Hanon, A, Bruix, M. | | Deposit date: | 2016-04-14 | | Release date: | 2017-02-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis for broad neutralization of HIV-1 through the molecular recognition of 10E8 helical epitope at the membrane interface.
Sci Rep, 6, 2016
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5JAM
 | | Yersinia pestis FabV variant T276V | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | | Deposit date: | 2016-04-12 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
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6N7F
 | | 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase from Streptococcus pyogenes in Complex with FAD. | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICARBONATE ION, ... | | Authors: | Minasov, G, Shuvalova, L, Shabalin, I.G, Grabowski, M, Olphie, A, Cardona-Correa, A, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-11-27 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase from Streptococcus pyogenes in Complex with FAD.
To Be Published
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7TPS
 | | Crystal structure of ALPN-202 (engineered CD80 vIgD) in complex with PD-L1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Demonte, D.W, Maurer, M.F, Akutsu, M, Kimbung, Y.R, Logan, D.T, Walse, B. | | Deposit date: | 2022-01-26 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | The engineered CD80 variant fusion therapeutic davoceticept combines checkpoint antagonism with conditional CD28 costimulation for anti-tumor immunity.
Nat Commun, 13, 2022
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3MKM
 | | Crystal structure of the E. coli pyrimidine nucleoside hydrolase YeiK (Apo-form) | | Descriptor: | CALCIUM ION, Putative uncharacterized protein YeiK | | Authors: | Garau, G, Fornili, A, Giabbai, B, Degano, M. | | Deposit date: | 2010-04-15 | | Release date: | 2010-12-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Energy Landscapes Associated with Macromolecular Conformational Changes from Endpoint Structures
J.Am.Chem.Soc., 132, 2010
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6MS1
 | | Crystal structure of the human Scribble PDZ1 domain bound to the PDZ-binding motif of APC | | Descriptor: | 1,2-ETHANEDIOL, APC C-terminus peptide, Protein scribble homolog | | Authors: | How, J.Y, Kvansakul, M, Caria, S, Humbert, P.O. | | Deposit date: | 2018-10-16 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structure of the human Scribble PDZ1 domain bound to the PDZ-binding motif of APC.
FEBS Lett., 593, 2019
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6MS8
 | | Crystal Structure of Chalcone Isomerase from Medicago Truncatula Complexed with (2S) Naringenin | | Descriptor: | Chalcone-flavonone isomerase family protein, NARINGENIN | | Authors: | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | | Deposit date: | 2018-10-16 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
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7ZTL
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6FDT
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6MZY
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6VL4
 | | Crystal Structure of mPGES-1 bound to DG-031 | | Descriptor: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, Prostaglandin E synthase, TETRAETHYLENE GLYCOL, ... | | Authors: | Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H. | | Deposit date: | 2020-01-22 | | Release date: | 2020-12-02 | | Last modified: | 2020-12-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
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7OUI
 | | Structure of C2S2M2-type Photosystem supercomplex from Arabidopsis thaliana (digitonin-extracted) | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Graca, A.T, Hall, M, Persson, K, Schroder, W.P. | | Deposit date: | 2021-06-11 | | Release date: | 2021-08-18 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | High-resolution model of Arabidopsis Photosystem II reveals the structural consequences of digitonin-extraction.
Sci Rep, 11, 2021
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5OBR
 | | Aurora A kinase in complex with 2-(3-chloro-5-fluorophenyl)quinoline-4-carboxylic acid and JNJ-7706621 | | Descriptor: | 2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A, ... | | Authors: | Rossmann, M, Janecek, M, Hyvonen, M. | | Deposit date: | 2017-06-29 | | Release date: | 2017-08-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Computationally-guided optimization of small-molecule inhibitors of the Aurora A kinase-TPX2 protein-protein interaction.
Chem. Commun. (Camb.), 53, 2017
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7TT7
 | | BamABCDE bound to substrate EspP in the barrelized EspP/continuous open BamA state | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, ... | | Authors: | Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D. | | Deposit date: | 2022-01-31 | | Release date: | 2022-03-30 | | Last modified: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding.
Cell, 185, 2022
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7TJ8
 | | Cryo-EM structure of the human Nax channel in complex with beta3 solved in nanodiscs | | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Noland, C.L, Kschonsak, M, Ciferri, C, Payandeh, J. | | Deposit date: | 2022-01-14 | | Release date: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure-guided unlocking of Na X reveals a non-selective tetrodotoxin-sensitive cation channel.
Nat Commun, 13, 2022
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6PNV
 | | 1.42 Angstrom Resolution Crystal Structure of Translocation Protein TolB from Salmonella enterica | | Descriptor: | POTASSIUM ION, SODIUM ION, Tol-Pal system protein TolB | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-07-03 | | Release date: | 2019-07-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | 1.42 Angstrom Resolution Crystal Structure of Translocation Protein TolB from Salmonella enterica
To Be Published
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1YS5
 | | Solution structure of the antigenic domain of GNA1870 of Neisseria meningitidis | | Descriptor: | lipoprotein | | Authors: | Cantini, F, Savino, S, Masignani, V, Pizza, M, Scarselli, M, Swennen, E, Romagnoli, G, Veggi, D, Banci, L, Rappuoli, R. | | Deposit date: | 2005-02-07 | | Release date: | 2006-02-07 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the immunodominant domain of protective antigen GNA1870 of Neisseria meningitidis
J.Biol.Chem., 281, 2006
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1YMR
 | | The study of reductive unfolding pathways of RNase A (Y92A mutant) | | Descriptor: | Ribonuclease pancreatic | | Authors: | Xu, G, Narayan, M, Kurinov, I, Ripoll, D.R, Welker, E, Khalili, M, Ealick, S.E, Scheraga, H.A. | | Deposit date: | 2005-01-21 | | Release date: | 2006-01-31 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A localized specific interaction alters the unfolding pathways of structural homologues.
J.Am.Chem.Soc., 128, 2006
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7TT6
 | | BamABCDE bound to substrate EspP in the intermediate-open EspP state | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, ... | | Authors: | Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D. | | Deposit date: | 2022-01-31 | | Release date: | 2022-03-30 | | Last modified: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding.
Cell, 185, 2022
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6PQB
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2MUJ
 | | Plasmodium falciparum SERA protein peptide analogues having short helical regions induce protection against malaria | | Descriptor: | Serine-repeat antigen protein | | Authors: | Cubillos, M, Alba, M, Bermudez, A, Trujillo, M, Patarroyo, M.E. | | Deposit date: | 2014-09-10 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Plasmodium falciparum SERA protein peptide analogues having short helical regions induce protection against malaria.
Biochimie, 85, 2003
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6VLE
 | | Crystal structure of human alpha 1,6-fucosyltransferase, FUT8 in its Apo-form | | Descriptor: | Alpha-(1,6)-fucosyltransferase, SULFATE ION | | Authors: | Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D. | | Deposit date: | 2020-01-23 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural basis of substrate recognition and catalysis by fucosyltransferase 8.
J.Biol.Chem., 295, 2020
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1AA2
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