5Y1X
 
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5HW2
 | | Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with fumaric acid | | Descriptor: | 1,2-ETHANEDIOL, Adenylosuccinate lyase, FUMARIC ACID, ... | | Authors: | Chang, C, Maltseva, N, Kim, Y, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-01-28 | | Release date: | 2016-02-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.054 Å) | | Cite: | Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with fumaric acid
To Be Published
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7QCM
 | | Structure of SARS-CoV-2 Papain-like Protease bound to N-(3-methoxy-4-hydroxy-acetophenone)thiosemicarbazone | | Descriptor: | CHLORIDE ION, GLYCEROL, N-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone, ... | | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | | Deposit date: | 2021-11-24 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
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4S0Z
 | | Crystal structure of M26V human DJ-1 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Protein DJ-1 | | Authors: | Milkovic, N.M, Wilson, M.A. | | Deposit date: | 2015-01-07 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Transient sampling of aggregation-prone conformations causes pathogenic instability of a parkinsonian mutant of DJ-1 at physiological temperature.
Protein Sci., 24, 2015
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7BOH
 | | Complete Bacterial 30S ribosomal subunit assembly complex state E (+RbfA)(Consensus Refinement) | | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | | Deposit date: | 2021-01-25 | | Release date: | 2021-12-08 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
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7QCK
 | | Structure of SARS-CoV-2 Papain-like Protease bound to N-(2,5-dihydroxybenzylidene)-thiosemicarbazone | | Descriptor: | CHLORIDE ION, GLYCEROL, N-(2,5-dihydroxybenzylidene)-thiosemicarbazone, ... | | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | | Deposit date: | 2021-11-24 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
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8V5D
 | | Human mitochondrial DNA polymerase catalytic subunit, PolG, in an APO conformation | | Descriptor: | DNA polymerase subunit gamma-1 | | Authors: | Riccio, A.A, Brannon, A.J, Krahn, J.M, Bouvette, J, Borgnia, J.M, Copeland, W.C. | | Deposit date: | 2023-11-30 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Coordinated DNA polymerization by Pol gamma and the region of LonP1 regulated proteolysis.
Nucleic Acids Res., 52, 2024
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8VY4
 | | Engineering a Tumor-Selective Prodrug T Cell Engager Bispecific Antibody for Safer Immunotherapy | | Descriptor: | Fab Heavy Chain, Fab Light Chain, PCA-ASP-GLY-ASN-GLU-GLU-MET | | Authors: | Antonysamy, S, Demarest, S, Froning, K, Hickey, M.H, Kuhlman, B, McCue, A.C. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Engineering a tumor-selective prodrug T-cell engager bispecific antibody for safer immunotherapy.
Mabs, 16, 2024
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6C6U
 | | CryoEM structure of E.coli RNA polymerase elongation complex bound with NusG | | Descriptor: | DNA (29-MER), DNA-DIRECTED RNA POLYMERASE BETA', DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Kang, J.Y, Artsimovitch, I, Landick, R, Darst, S.A. | | Deposit date: | 2018-01-19 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural Basis for Transcript Elongation Control by NusG Family Universal Regulators.
Cell, 173, 2018
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7NPE
 | | Vibrio cholerae ParA2-ADP | | Descriptor: | AAA family ATPase, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Parker, A.V, Bergeron, J.R.C. | | Deposit date: | 2021-02-26 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The cryo-EM structure of the bacterial type I segregation filament reveals ParA s conformational plasticity upon DNA binding
To Be Published
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5DH6
 | | Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-G12A mutant in Mg2+ | | Descriptor: | 5'-R(*GP*GP*GP*CP*GP*U)-D(P*C)-R(P*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3', MAGNESIUM ION, hammerhead ribozyme | | Authors: | Mir, A, Chen, J, Neau, D, Golden, B.L. | | Deposit date: | 2015-08-29 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.784 Å) | | Cite: | Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction.
Biochemistry, 54, 2015
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8PJA
 | | FKBP51FK1 F67E/K58 (i, i+9) in complex with SAFit1 | | Descriptor: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Charalampidou, A, Hausch, F. | | Deposit date: | 2023-06-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets.
Acs Cent.Sci., 10, 2024
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5K0Z
 | | Cryo-EM structure of lactate dehydrogenase (LDH) in inhibitor-bound state | | Descriptor: | L-lactate dehydrogenase B chain | | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | Deposit date: | 2016-05-17 | | Release date: | 2016-06-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
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6SM3
 | | Structure of the RagAB peptide importer in the 'closed-closed' state | | Descriptor: | (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, GLY-GLY-ALA-THR-THR-ALA-THR-THR-THR-THR-SER-THR-SER, Lipoprotein RagB, ... | | Authors: | White, J.B.R, Ranson, N.A, van den Berg, B. | | Deposit date: | 2019-08-21 | | Release date: | 2020-05-20 | | Last modified: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
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4TF4
 | | ENDO/EXOCELLULASE:CELLOPENTAOSE FROM THERMOMONOSPORA | | Descriptor: | CALCIUM ION, T. FUSCA ENDO/EXO-CELLULASE E4 CATALYTIC DOMAIN AND CELLULOSE-BINDING DOMAIN, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Sakon, J, Wilson, D.B, Karplus, P.A. | | Deposit date: | 1997-05-31 | | Release date: | 1997-09-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and mechanism of endo/exocellulase E4 from Thermomonospora fusca.
Nat.Struct.Biol., 4, 1997
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6W0D
 | | Open-gate KcsA soaked in 5 mM BaCl2 | | Descriptor: | BARIUM ION, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Rohaim, A, Gong, L, Li, J. | | Deposit date: | 2020-02-29 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.639 Å) | | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
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7N27
 | | Crystal Structure of chromodomain of CDYL in complex with inhibitor UNC6261 | | Descriptor: | Isoform 2 of Chromodomain Y-like protein, SODIUM ION, UNKNOWN ATOM OR ION, ... | | Authors: | Beldar, S, Dong, A, Loppnau, P, Min, J, Arrowsmith, C.H, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-28 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of chromodomain of CDYL in complex with inhibitor UNC6261
To Be Published
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6SMQ
 | | Structure of the RagAB peptide importer in the 'open-closed' state | | Descriptor: | (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Lipoprotein RagB, ... | | Authors: | White, J.B.R, Ranson, N.A, van den Berg, B. | | Deposit date: | 2019-08-22 | | Release date: | 2020-05-20 | | Last modified: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
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6W0J
 | | Closed-gate KcsA incubated in BaCl2/NaCl | | Descriptor: | BARIUM ION, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Rohaim, A, Gong, L, Li, J. | | Deposit date: | 2020-02-29 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
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5DI2
 | | Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-WT ribozyme in Mn2+ at high pH | | Descriptor: | 5'-R(*GP*GP*GP*CP*GP*U)-D(P*C)-R(P*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3', MANGANESE (II) ION, RNA (48-MER) | | Authors: | Mir, A, Chen, J, Neau, D, Golden, B.L. | | Deposit date: | 2015-08-31 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.989 Å) | | Cite: | Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction.
Biochemistry, 54, 2015
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4YYT
 | | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (5). | | Descriptor: | 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Rechlin, C, Heine, A, Klebe, G. | | Deposit date: | 2015-03-24 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
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8Q0C
 | | Human carbonic anhydrase II containing 3-fluorotyrosine | | Descriptor: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION | | Authors: | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | | Deposit date: | 2023-07-28 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
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4YZP
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6FZQ
 | | Crystal structure of scFv-SM3 in complex with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ... | | Authors: | Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F. | | Deposit date: | 2018-03-15 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition.
J.Am.Chem.Soc., 140, 2018
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4Z07
 | | Co-crystal structure of the tandem CNB (CNB-A/B) domains of human PKG I beta with cGMP | | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, ISOPROPYL ALCOHOL, SULFATE ION, ... | | Authors: | Kim, J.J, Reger, A.S, Arold, S.T, Kim, C. | | Deposit date: | 2015-03-25 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of PKG I:cGMP Complex Reveals a cGMP-Mediated Dimeric Interface that Facilitates cGMP-Induced Activation.
Structure, 24, 2016
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