8UZK
 
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8V4J
 | | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148233 | | Descriptor: | 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol, CHLORIDE ION, Phosphoheptose isomerase, ... | | Authors: | Junop, M.S, Brown, C, Szabla, R. | | Deposit date: | 2023-11-29 | | Release date: | 2023-12-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria.
J.Med.Chem., 67, 2024
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8V8Y
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8PE9
 | | Complex between DDR1 DS-like domain and PRTH-101 Fab | | Descriptor: | 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, CALCIUM ION, ... | | Authors: | Liu, J, Chiang, H, Xiong, W, Laurent, V, Griffiths, S.C, Duelfer, J, Deng, H, Sun, X, Yin, Y.W, Li, W, Audoly, L.P, An, Z, Schuerpf, T, Li, R, Zhang, N. | | Deposit date: | 2023-06-13 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.152 Å) | | Cite: | A highly selective humanized DDR1 mAb reverses immune exclusion by disrupting collagen fiber alignment in breast cancer.
J Immunother Cancer, 11, 2023
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6C6C
 | | Structure of glycolipid aGSA[20,6P] in complex with mouse CD1d | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ... | | Authors: | Zajonc, D.M, Wang, J. | | Deposit date: | 2018-01-18 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
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8PFU
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with K3[Ru2(CO3)4] in condition A | | Descriptor: | 6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one, CARBONATE ION, Lysozyme C, ... | | Authors: | Teran, A, Ferraro, G, Merlino, A. | | Deposit date: | 2023-06-16 | | Release date: | 2023-07-19 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Charge effect in protein metalation reactions by diruthenium complexes
Inorg Chem Front, 2023
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8PFV
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(DAniF)(O2CCH3)3] in condition A | | Descriptor: | 9,11-bis(4-methoxyphenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, CHLORIDE ION, Lysozyme C, ... | | Authors: | Teran, A, Ferraro, G, Merlino, A. | | Deposit date: | 2023-06-16 | | Release date: | 2023-07-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Charge effect in protein metalation reactions by diruthenium complexes
Inorg Chem Front, 2023
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8V4H
 | | X-ray structure of the NADP-dependent reductase from Campylobacter jejuni responsible for the synthesis of CDP-glucitol in the presence of CDP-glucitol | | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Putative nucleotide sugar dehydratase, ... | | Authors: | Thoden, J.B, Schumann, M.E, Holden, H.M, Raushel, F.M. | | Deposit date: | 2023-11-29 | | Release date: | 2023-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biosynthesis of Cytidine Diphosphate-6-d-Glucitol for the Capsular Polysaccharides of Campylobacter jejuni.
Biochemistry, 63, 2024
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8PFT
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with K2[Ru2(D-p-FPhF)(CO3)3] in condition A | | Descriptor: | 6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one, CHLORIDE ION, Lysozyme C, ... | | Authors: | Teran, A, Ferraro, G, Merlino, A. | | Deposit date: | 2023-06-16 | | Release date: | 2023-07-19 | | Method: | X-RAY DIFFRACTION (1.304 Å) | | Cite: | Charge effect in protein metalation reactions by diruthenium complexes
Inorg Chem Front, 2023
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7R9X
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8PFY
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6AQ6
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8PFW
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7R5C
 | | Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-29 (G206C, R207S, D210L, S211V) | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Isoaspartyl peptidase, ... | | Authors: | Barciszewski, J, Imiolczyk, B, Loch, J.I, Jaskolski, M. | | Deposit date: | 2022-02-10 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
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8PFX
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with K2[Ru2(D-p-FPhF)(CO3)3] in condition B | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one, FORMIC ACID, ... | | Authors: | Teran, A, Ferraro, G, Merlino, A. | | Deposit date: | 2023-06-16 | | Release date: | 2023-07-19 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Charge effect in protein metalation reactions by diruthenium complexes
Inorg Chem Front, 2023
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7R1G
 | | Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-38 (R207C, D210S, S211V) | | Descriptor: | Beta-aspartyl-peptidase, Isoaspartyl peptidase, SODIUM ION | | Authors: | Loch, J.I, Kadziolka, K, Jaskolski, M. | | Deposit date: | 2022-02-02 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
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7QYM
 | | Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-18 (R207V, D210P, S211W) | | Descriptor: | Beta-aspartyl-peptidase, CHLORIDE ION, Isoaspartyl peptidase, ... | | Authors: | Loch, J.I, Klonecka, A, Kadziolka, K, Bonarek, P, Barciszewski, J, Imiolczyk, B, Brzezinski, K, Jaskolski, M. | | Deposit date: | 2022-01-28 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
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7QYX
 | | Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-24 (R207A, D210S, S211T) | | Descriptor: | Beta-aspartyl-peptidase, CHLORIDE ION, Isoaspartyl peptidase, ... | | Authors: | Loch, J.I, Klonecka, A, Kadziolka, K, Bonarek, P, Barciszewski, J, Imiolczyk, B, Brzezinski, K, Jaskolski, M. | | Deposit date: | 2022-01-29 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
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5JZY
 | | Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide, DIMETHYL SULFOXIDE, ... | | Authors: | Sandner, A, Heine, A, Klebe, G. | | Deposit date: | 2016-05-17 | | Release date: | 2017-06-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
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8AEB
 | | SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(pyridin-3-ylmethyl)thioformamide, ... | | Authors: | Hanoulle, X, Charton, J, Deprez, B. | | Deposit date: | 2022-07-12 | | Release date: | 2023-03-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses.
Eur.J.Med.Chem., 250, 2023
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7RJ9
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8AHQ
 | | VirD/holo-ACP5b of Streptomyces virginiae complex | | Descriptor: | 1,2-ETHANEDIOL, 4'-PHOSPHOPANTETHEINE, CHLORIDE ION, ... | | Authors: | Collin, S, Gruez, A. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Decrypting the programming of beta-methylation in virginiamycin M biosynthesis.
Nat Commun, 14, 2023
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8Q1S
 | | Pathogenic mutations of human phosphorylation sites affect protein-protein interactions | | Descriptor: | 1,2-ETHANEDIOL, 14-3-3 protein epsilon, BROMIDE ION, ... | | Authors: | Roske, Y, Daumke, O, Rrustemi, T, Selbach, M. | | Deposit date: | 2023-08-01 | | Release date: | 2024-02-21 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Pathogenic mutations of human phosphorylation sites affect protein-protein interactions.
Nat Commun, 15, 2024
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8PS0
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8B45
 | | Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4 | | Descriptor: | 1,2-ETHANEDIOL, CC-Tri-(UbUc)4, SODIUM ION, ... | | Authors: | Kumar, P, Martin, F.J.O, Dawson, W.M, Zieleniewski, F, Woolfson, D.N. | | Deposit date: | 2022-09-19 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4
To Be Published
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