6SHH
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6SIO
| Fragment AZ-017 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 5-methyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-08-10 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.60418 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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5NRI
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6SIY
| PaaK family AMP-ligase with AMP and substrate | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXYANTHRANILIC ACID, ADENOSINE MONOPHOSPHATE, ... | Authors: | Naismith, J.H, Song, H. | Deposit date: | 2019-08-12 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility. Angew.Chem.Int.Ed.Engl., 59, 2020
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5NRF
| Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7i | Descriptor: | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine, Chitotriosidase-1, GLYCEROL | Authors: | Mazur, M, Olczak, J, Olejniczak, S, Koralewski, R, Czestkowski, W, Jedrzejczak, A, Golab, J, Dzwonek, K, Dymek, B, Sklepkiewicz, P, Zagozdzon, A, Noonan, T, Mahboubi, K, Conway, B, Sheeler, R, Beckett, P, Hungerford, W.M, Podjarny, A, Mitschler, A, Cousido-Siah, A, Fadel, F, Golebiowski, A. | Deposit date: | 2017-04-22 | Release date: | 2018-03-28 | Method: | X-RAY DIFFRACTION (1.447 Å) | Cite: | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma. J. Med. Chem., 61, 2018
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6SMA
| Crystal structure of Human Neutrophil Elastase (HNE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC249 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid, ... | Authors: | Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M. | Deposit date: | 2019-08-21 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | 3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling. Acs Chem.Biol., 15, 2020
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7CLG
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6SOM
| Metal free structure of SynFtn variant D137A | Descriptor: | CHLORIDE ION, Ferritin | Authors: | Hemmings, A.M, Bradley, J.M. | Deposit date: | 2019-08-29 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin SynFtn. Dalton Trans, 49, 2020
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7C6I
| Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in an open-liganded state bound to sophorose | Descriptor: | 1,2-ETHANEDIOL, 1,3-BUTANEDIOL, ACETATE ION, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-21 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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7CM8
| High resolution crystal structure of M92A mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae | Descriptor: | Cysteine synthase, GLYCEROL, SODIUM ION | Authors: | Kaushik, A, Rahisuddin, R, Saini, N, Kumaran, S. | Deposit date: | 2020-07-25 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular mechanism of selective substrate engagement and inhibitor disengagement of cysteine synthase. J.Biol.Chem., 296, 2020
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6SOQ
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7C73
| Crystal structure of yak lactoperoxidase using data obtained from crystals soaked in MgCl2 at 2.70 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ... | Authors: | Singh, P.K, Pandey, S.N, Rani, C, Ahmad, N, Viswanathan, V, Sharma, P, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 angstrom resolution. J.Biol.Inorg.Chem., 26, 2021
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6SL2
| ALPHA-ACTININ FROM ENTAMOEBA HISTOLYTICA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Calponin homology domain protein putative, ... | Authors: | Pinotsis, N, Khan, M.B, Djinovic-Carugo, K. | Deposit date: | 2019-08-18 | Release date: | 2020-08-26 | Last modified: | 2020-11-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin. Proc.Natl.Acad.Sci.USA, 117, 2020
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7C7E
| Crystal structure of C terminal domain of Escherichia coli DgoR | Descriptor: | Putative DNA-binding transcriptional regulator, SULFATE ION, TRIETHYLENE GLYCOL, ... | Authors: | Lin, W. | Deposit date: | 2020-05-25 | Release date: | 2021-01-20 | Method: | X-RAY DIFFRACTION (2.047 Å) | Cite: | Structural and Functional Analyses of the Transcription Repressor DgoR From Escherichia coli Reveal a Divalent Metal-Containing D-Galactonate Binding Pocket. Front Microbiol, 11, 2020
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6SLJ
| Structure of the RagAB peptide transporter | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ALA-SER-THR-THR-GLY-ALA-ASN-SER-GLN-ARG, ... | Authors: | Madej, M, Ranson, N.A, White, J.B.R. | Deposit date: | 2019-08-20 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis. Nat Microbiol, 5, 2020
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6SND
| crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide | Descriptor: | 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | Authors: | Caillat, C, Pinto, D, Corti, D, Fenwick, C, Pantaleo, G, Weissenhorn, W. | Deposit date: | 2019-08-23 | Release date: | 2019-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01. Cell Host Microbe, 26, 2019
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6S7H
| Human CD73 (5'-nucleotidase) in complex with PSB12489 (an AOPCP derivative) in the closed state | Descriptor: | (N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP, 5'-nucleotidase, CALCIUM ION, ... | Authors: | Pippel, J, Strater, N. | Deposit date: | 2019-07-04 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5'-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy Adv Ther, 2019
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7C8V
| Structure of sybody SR4 in complex with the SARS-CoV-2 S Receptor Binding domain (RBD) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ... | Authors: | Li, T, Yao, H, Cai, H, Qin, W, Li, D. | Deposit date: | 2020-06-03 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection. Nat Commun, 12, 2021
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6S87
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6RJL
| Fragment AZ-018 binding at the TAZpS89/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, TAZpS89 | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-04-27 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6RFK
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6RKA
| Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Methionine adenosyltransferase, PHOSPHATE ION, ... | Authors: | Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F. | Deposit date: | 2019-04-30 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase. J.Mol.Biol., 431, 2019
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6RKY
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7C3L
| Structure of L-lysine oxidase D212A/D315A in complex with L-tyrosine | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, L-lysine oxidase, ... | Authors: | Kitagawa, M, Matsumoto, Y, Inagaki, K, Imada, K. | Deposit date: | 2020-05-12 | Release date: | 2020-09-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of strict substrate recognition of l-lysine alpha-oxidase from Trichoderma viride. Protein Sci., 29, 2020
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6RGE
| Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with an inhibitor | Descriptor: | CITRIC ACID, NAD kinase 1, [(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate | Authors: | Gelin, M, Labesse, G. | Deposit date: | 2019-04-16 | Release date: | 2020-05-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with an inhibitor To Be Published
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