6ZEZ
 
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3CZ8
 | | Crystal structure of putative sporulation-specific glycosylase ydhD from Bacillus subtilis | | Descriptor: | GLYCEROL, Putative sporulation-specific glycosylase ydhD | | Authors: | Patskovsky, Y, Romero, R, Rutter, M, Chang, S, Maletic, M, Smith, D, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-04-28 | | Release date: | 2008-05-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of putative glycosylase ydhD from Bacillus subtilis.
To be Published
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6AWS
 | | Structure of PR 10 Allergen Ara h 8.01 in complex with quercetin | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Ara h 8 allergen, CHLORIDE ION, ... | | Authors: | Offermann, L.R, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Perdue, M, Chruszcz, M. | | Deposit date: | 2017-09-06 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of PR-10 Allergen Ara h 8.01.
To Be Published
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6ZEX
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZF5
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6MG0
 | | Crystal structure of a 5-domain construct of LgrA in the thiolation state | | Descriptor: | 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine, Linear gramicidin synthase subunit A | | Authors: | Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M. | | Deposit date: | 2018-09-12 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (6 Å) | | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
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6Z15
 | | Human wtSTING in complex with 3',3'-c-di-AMP | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of interferon protein | | Authors: | Boura, E, Smola, M. | | Deposit date: | 2020-05-12 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6LKJ
 | | Two-component system protein mediate signal transduction | | Descriptor: | 6-O-phosphono-beta-D-galactopyranose, ABC transporter, solute-binding protein | | Authors: | Wang, M, Tao, Y. | | Deposit date: | 2019-12-19 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Interface switch mediates signal transmission in a two-component system.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6YYF
 | | Crystal Structure of 5-chloroindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C | | Descriptor: | 5-chloranyl-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ... | | Authors: | Brear, P, Wagstaff, J, Hyvonen, M. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Optimising crystallographic systems for structure-guided drug discovery
To Be Published
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6YYK
 | | Crystal Structure of 1,5-dimethylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C | | Descriptor: | 1,5-dimethyl-3~{H}-indol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ... | | Authors: | Brear, P, Wagstaff, J, Hyvonen, M. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Optimising crystallographic systems for structure-guided drug discovery
To Be Published
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5XAT
 | | Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS | | Descriptor: | CITRATE ANION, Citrate-sodium symporter, SODIUM ION, ... | | Authors: | Jin, M.S, Kim, J.W, Kim, S, Kim, S, Lee, H, Lee, J.-O. | | Deposit date: | 2017-03-14 | | Release date: | 2017-06-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.76 Å) | | Cite: | Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS
Sci Rep, 7, 2017
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6JLN
 | | XFEL structure of cyanobacterial photosystem II (1F state, dataset2) | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Suga, M, Shen, J.R. | | Deposit date: | 2019-03-06 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
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6JLJ
 | | XFEL structure of cyanobacterial photosystem II (dark state, dataset1) | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Suga, M, Shen, J.R. | | Deposit date: | 2019-03-06 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
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5M4G
 | | Crystal Structure of Wild-Type Human Prolidase with Mn ions | | Descriptor: | GLYCEROL, HYDROXIDE ION, MANGANESE (II) ION, ... | | Authors: | Wilk, P, Weiss, M.S, Mueller, U, Dobbek, H. | | Deposit date: | 2016-10-18 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Substrate specificity and reaction mechanism of human prolidase.
FEBS J., 284, 2017
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3COG
 | | Crystal structure of human cystathionase (Cystathionine gamma lyase) in complex with DL-propargylglycine | | Descriptor: | (2S)-2-aminopent-4-enoic acid, Cystathionine gamma-lyase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Collins, R, Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Schuler, H, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Sagermark, J, Busam, R.D, Welin, M, Weigelt, J, Wikstrom, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-03-28 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S.
J.Biol.Chem., 284, 2009
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8J26
 | | CryoEM structure of SARS CoV-2 RBD and Aptamer complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AM032-4, AM047-6, ... | | Authors: | Rahman, M.S, Jang, S.K, Lee, J.O. | | Deposit date: | 2023-04-14 | | Release date: | 2023-06-21 | | Last modified: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure-Guided Development of Bivalent Aptamers Blocking SARS-CoV-2 Infection.
Molecules, 28, 2023
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8A93
 | | Complex of RecF-RecR-DNA from Thermus thermophilus. | | Descriptor: | DNA replication and repair protein RecF, MAGNESIUM ION, Oligo1, ... | | Authors: | Nirwal, S, Czarnocki-Cieciura, M, Chaudhary, A, Zajko, W, Skowronek, K, Chamera, S, Figiel, M, Nowotny, M. | | Deposit date: | 2022-06-27 | | Release date: | 2023-04-26 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Mechanism of RecF-RecO-RecR cooperation in bacterial homologous recombination.
Nat.Struct.Mol.Biol., 30, 2023
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8J1Q
 | | CryoEM structure of SARS CoV-2 RBD and Aptamer complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AM032-0, AM047-0, ... | | Authors: | Rahman, M.S, Jang, S.K, Lee, J.O. | | Deposit date: | 2023-04-13 | | Release date: | 2023-06-21 | | Last modified: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure-Guided Development of Bivalent Aptamers Blocking SARS-CoV-2 Infection.
Molecules, 28, 2023
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8AB0
 | | Complex of RecO-RecR-DNA from Thermus thermophilus. | | Descriptor: | DNA repair protein RecO, Oligo1, Oligo2, ... | | Authors: | Nirwal, S, Czarnocki-Cieciura, M, Chaudhary, A, Zajko, W, Skowronek, K, Chamera, S, Figiel, M, Nowotny, M. | | Deposit date: | 2022-07-04 | | Release date: | 2023-04-26 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (6.09 Å) | | Cite: | Mechanism of RecF-RecO-RecR cooperation in bacterial homologous recombination.
Nat.Struct.Mol.Biol., 30, 2023
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3CQ9
 | | Crystal structure of the lp_1622 protein from Lactobacillus plantarum. Northeast Structural Genomics Consortium target LpR114 | | Descriptor: | SULFATE ION, Uncharacterized protein lp_1622 | | Authors: | Vorobiev, S.M, Abashidze, M, Seetharaman, J, Zhao, L, Maglaqui, M, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-04-02 | | Release date: | 2008-04-15 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the lp_1622 protein from Lactobacillus plantarum.
To be Published
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3CTA
 | | Crystal structure of riboflavin kinase from Thermoplasma acidophilum | | Descriptor: | Riboflavin kinase | | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Mendoza, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-04-11 | | Release date: | 2008-04-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of riboflavin kinase from Thermoplasma acidophilum.
To be Published
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2Q6U
 | | SeMet-substituted form of NikD | | Descriptor: | BENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NikD protein | | Authors: | Carrell, C.J, Bruckner, R.C, Venci, D, Zhao, G, Jorns, M.S, Mathews, F.S. | | Deposit date: | 2007-06-05 | | Release date: | 2007-07-31 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | NikD, an Unusual Amino Acid Oxidase Essential for Nikkomycin Biosynthesis: Structures of Closed and Open Forms at 1.15 and 1.90 A Resolution
Structure, 15, 2007
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3CWY
 | | Structure of CagD from H. pylori pathogenicity island crystallized in the presence of Cu(II) ions | | Descriptor: | COPPER (II) ION, protein CagD | | Authors: | Cendron, L, Zanotti, G, Angelini, A, Barison, N, Couturier, M, Stein, M. | | Deposit date: | 2008-04-23 | | Release date: | 2008-12-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The Helicobacter pylori CagD (HP0545, Cag24) protein is essential for CagA translocation and maximal induction of interleukin-8 secretion.
J.Mol.Biol., 386, 2009
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6MQ2
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8B0K
 | | Cryo-EM structure of apolipoprotein N-acyltransferase Lnt from E. coli (Apo form) | | Descriptor: | Apolipoprotein N-acyltransferase | | Authors: | Degtjarik, O, Smithers, L, Boland, C, Caffrey, M, Shalev Benami, M. | | Deposit date: | 2022-09-07 | | Release date: | 2023-07-12 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
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