6DPK
 
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6GI3
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8BRR
 | | Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
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6XT6
 | | pro-concanavalin A: Precursor of circularly permuted concanavalin A | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Concanavalin-A, ... | | Authors: | Nonis, S.G, Haywood, J, Schmidberger, J.W, Bond, C.S. | | Deposit date: | 2020-07-17 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Structural and biochemical analyses of concanavalin A circular permutation by jack bean asparaginyl endopeptidase.
Plant Cell, 33, 2021
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7LCE
 | | Structure of D-Glucosaminate-6-phosphate Ammonia-lyase | | Descriptor: | CALCIUM ION, D-glucosaminate-6-phosphate ammonia lyase, DIMETHYL SULFOXIDE | | Authors: | Phillips, R.S. | | Deposit date: | 2021-01-10 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structure and Mechanism of d-Glucosaminate-6-phosphate Ammonia-lyase: A Novel Octameric Assembly for a Pyridoxal 5'-Phosphate-Dependent Enzyme, and Unprecedented Stereochemical Inversion in the Elimination Reaction of a d-Amino Acid.
Biochemistry, 60, 2021
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5W24
 | | Crystal Structure of 5C4 Fab | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 5C4 Fab Heavy Chain, 5C4 Fab Light Chain | | Authors: | Battles, M.B, McLellan, J.S, Taher, N.M. | | Deposit date: | 2017-06-05 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of respiratory syncytial virus subtype-dependent neutralization by an antibody targeting the fusion glycoprotein.
Nat Commun, 8, 2017
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5HOX
 | | X-ray crystallographic structure of an A-beta 17_36 beta-hairpin. Synchrotron data set. (LVFFAEDCGSNKCAII(SAR)LMV). | | Descriptor: | Amyloid beta A4 protein, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500) | | Authors: | Kreutzer, A.G, Nowick, J.S, Spencer, R.K. | | Deposit date: | 2016-01-19 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray Crystallographic Structures of a Trimer, Dodecamer, and Annular Pore Formed by an A beta 17-36 beta-Hairpin.
J.Am.Chem.Soc., 138, 2016
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5HRW
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with 1-propylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | | Descriptor: | 1,2-ETHANEDIOL, 1-propylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1, ... | | Authors: | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | | Deposit date: | 2016-01-24 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
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5VU6
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6GJB
 | | Erk2 signalling protein | | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, [(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[4-[1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate | | Authors: | O'Reilly, M. | | Deposit date: | 2018-05-16 | | Release date: | 2019-01-02 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe.
Chem Sci, 9, 2018
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5VUU
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile | | Descriptor: | 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-05-19 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
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6GJM
 | | Cyclophilin A complexed with tri-vector ligand 4. | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate | | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | | Deposit date: | 2018-05-16 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.354 Å) | | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
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8TAY
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7PQ3
 | | Crystal Structure of the Ring Nuclease 0811 from Sulfolobus islandicus (Sis0811) in complex with its post-catalytic reaction product | | Descriptor: | 3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine, CRISPR-associated protein, APE2256 family | | Authors: | Molina, R, Jensen, A.L.G, Marchena-Hurtado, J, Lopez-Mendez, B, Stella, S, Montoya, G. | | Deposit date: | 2021-09-16 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural basis of cyclic oligoadenylate degradation by ancillary Type III CRISPR-Cas ring nucleases.
Nucleic Acids Res., 49, 2021
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5VV5
 | | Structure of human neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile | | Descriptor: | 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-05-19 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
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7PQ2
 | | Crystal Structure of the Ring Nuclease 0811 from Sulfolobus islandicus (Sis0811) in its apo form | | Descriptor: | CRISPR-associated protein, APE2256 family, CRISPR Ring Nuclease | | Authors: | Molina, R, Jensen, A.L.G, Marchena-Hurtado, J, Lopez-Mendez, B, Stella, S, Montoya, G. | | Deposit date: | 2021-09-16 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural basis of cyclic oligoadenylate degradation by ancillary Type III CRISPR-Cas ring nucleases.
Nucleic Acids Res., 49, 2021
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8B61
 | | Crystal structure of BfrC protein from Bacteroides fragilis NCTC 9343 | | Descriptor: | Conserved hypothetical lipoprotein, GLYCEROL, pentane-1,3,5-tricarboxylic acid | | Authors: | Antonyuk, S.V, Barnett, K, Strange, R.W, Olczak, T. | | Deposit date: | 2022-09-25 | | Release date: | 2023-05-31 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Bacteroides fragilis expresses three proteins similar to Porphyromonas gingivalis HmuY: Hemophore-like proteins differentially evolved to participate in heme acquisition in oral and gut microbiomes.
Faseb J., 37, 2023
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6DR5
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7LUD
 | | Crystal structure of Fab ADI-14442 | | Descriptor: | ADI-14442 Fab Heavy chain, ADI-14442 Fab Light chain, SULFATE ION | | Authors: | Rush, S.A, McLellan, J.S. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Vaccination with prefusion-stabilized respiratory syncytial virus fusion protein induces genetically and antigenically diverse antibody responses.
Immunity, 54, 2021
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5VVJ
 | | Cas1-Cas2 bound to half-site intermediate | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (112-MER), ... | | Authors: | Wright, A.V, Knott, G.J, Doxzen, K.W, Doudna, J.A. | | Deposit date: | 2017-05-19 | | Release date: | 2017-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.89 Å) | | Cite: | Structures of the CRISPR genome integration complex.
Science, 357, 2017
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6XVE
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6DK1
 | | Human sigma-1 receptor bound to (+)-pentazocine | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol, GLYCEROL, ... | | Authors: | Schmidt, H.R, Kruse, A.C. | | Deposit date: | 2018-05-28 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Structural basis for sigma1receptor ligand recognition.
Nat. Struct. Mol. Biol., 25, 2018
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7PLD
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6XPU
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8B6A
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