6MKU
 
 | | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D11A mutant from Salmonella typhimurium complexed with arginine | | Descriptor: | ACETATE ION, ARGININE, GLYCEROL, ... | | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | | Deposit date: | 2018-09-26 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.727 Å) | | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
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8C3D
 | | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K | | Authors: | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | | Deposit date: | 2022-12-23 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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6ML9
 | | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D30A mutant from Salmonella typhimurium complexed with arginine | | Descriptor: | ACETATE ION, ARGININE, GLYCEROL, ... | | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | | Deposit date: | 2018-09-27 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.687 Å) | | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
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6MLN
 | | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) S72A mutant from Salmonella typhimurium complexed with arginine | | Descriptor: | ACETATE ION, ARGININE, GLYCEROL, ... | | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | | Deposit date: | 2018-09-27 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.721 Å) | | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
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6MRS
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6MTT
 | | Crystal structure of VRC46.01 Fab in complex with gp41 peptide | | Descriptor: | Antibody VRC46.01 Fab heavy chain, Antibody VRC46.01 Fb light chain, RV217 founder virus gp41 peptide | | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Veradi, R, Doria-Rose, N.A, Kwong, P.D. | | Deposit date: | 2018-10-21 | | Release date: | 2019-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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6MLD
 | | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) F52A mutant from Salmonella typhimurium | | Descriptor: | ACETATE ION, Lysine/arginine/ornithine-binding periplasmic protein | | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | | Deposit date: | 2018-09-27 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
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8GHX
 | | Crystal Structure of CelD Cellulase from the Anaerobic Fungus Piromyces finnis | | Descriptor: | 1,2-ETHANEDIOL, Cellulase CelD | | Authors: | Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2023-03-13 | | Release date: | 2023-05-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
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6N2P
 | | Helical assembly of the CARD9 CARD | | Descriptor: | Caspase recruitment domain-containing protein 9 | | Authors: | Holliday, M.J, Rohou, A, Arthur, C.P, Dueber, E.C, Fairbrother, W.J. | | Deposit date: | 2018-11-13 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structures of autoinhibited and polymerized forms of CARD9 reveal mechanisms of CARD9 and CARD11 activation.
Nat Commun, 10, 2019
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8GHY
 | | Crystal Structure of the E154D mutant CelD Cellulase from the Anaerobic Fungus Piromyces finnis in the complex with cellotriose. | | Descriptor: | Cellulase CelD, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2023-03-13 | | Release date: | 2023-05-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
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6NHA
 | | Crystal structure of SYNT001, a human FcRn blocking monoclonal antibody | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-2-microglobulin, IgG receptor FcRn large subunit p51, ... | | Authors: | Blumberg, R.S, Cheung, J, Mahmood, A, Gandhi, A.K. | | Deposit date: | 2018-12-21 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.381 Å) | | Cite: | Blocking FcRn in humans reduces circulating IgG levels and inhibits IgG immune complex-mediated immune responses.
Sci Adv, 5, 2019
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3JTK
 | | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90055 | | Descriptor: | (2R)-3-benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-12 | | Release date: | 2009-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90055
To be Published
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4Y7M
 | | T6SS protein TssM C-terminal domain (835-1129) from EAEC | | Descriptor: | Hi113 protein, SULFATE ION, Type VI secretion protein IcmF | | Authors: | Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C. | | Deposit date: | 2015-02-15 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
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4Y7L
 | | T6SS protein TssM C-terminal domain (869-1107) from EAEC | | Descriptor: | GLYCEROL, Type VI secretion protein IcmF, ZINC ION | | Authors: | Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C. | | Deposit date: | 2015-02-15 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
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7BII
 | | Crystal structure of Nematocida HUWE1 | | Descriptor: | E3 ubiquitin-protein ligase HUWE1 | | Authors: | Grabarczyk, D.B, Petrova, O.A, Meinhart, A, Kessler, D, Clausen, T. | | Deposit date: | 2021-01-12 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.037 Å) | | Cite: | HUWE1 employs a giant substrate-binding ring to feed and regulate its HECT E3 domain.
Nat.Chem.Biol., 17, 2021
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3JYH
 | | Human dipeptidyl peptidase DPP7 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl-peptidase 2, ... | | Authors: | Dobrovetsky, E, Dong, A, Seitova, A, Crombett, L, Paganon, S, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Hassel, A, Shewchuk, L, Bochkarev, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-21 | | Release date: | 2009-10-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Human dipeptidyl peptidase DPP7
To be Published
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4Y7O
 | | T6SS protein TssM C-terminal domain (869-1107) from EAEC | | Descriptor: | Type VI secretion protein IcmF, Type VI secretion system protein VasD, ZINC ION | | Authors: | Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C. | | Deposit date: | 2015-02-15 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
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5JUI
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6CBY
 | | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975 | | Descriptor: | N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone | | Authors: | ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-05 | | Release date: | 2018-03-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase.
J.Med.Chem., 62, 2019
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6MLA
 | | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D161A mutant from Salmonella typhimurium complexed with arginine | | Descriptor: | ACETATE ION, ARGININE, GLYCEROL, ... | | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | | Deposit date: | 2018-09-27 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.582 Å) | | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
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7VAX
 | | V1EG of V/A-ATPase from Thermus thermophilus at saturated ATP-gamma-S condition, state1-2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Kishikawa, J, Nakanishi, A, Nakano, A, Saeki, S, Furuta, A, Kato, T, Mitsuoka, K, Yokoyama, K. | | Deposit date: | 2021-08-30 | | Release date: | 2022-07-13 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural snapshots of V/A-ATPase reveal the rotary catalytic mechanism of rotary ATPases.
Nat Commun, 13, 2022
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7VAI
 | | V1EG of V/A-ATPase from Thermus thermophilus, state1-1 | | Descriptor: | V-type ATP synthase alpha chain, V-type ATP synthase beta chain, V-type ATP synthase subunit D, ... | | Authors: | Kishikawa, J, Nakanishi, A, Nakano, A, Saeki, S, Furuta, A, Kato, T, Mitsuoka, K, Yokoyama, K. | | Deposit date: | 2021-08-30 | | Release date: | 2022-07-13 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural snapshots of V/A-ATPase reveal the rotary catalytic mechanism of rotary ATPases.
Nat Commun, 13, 2022
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7VAL
 | | V1EG of V/A-ATPase from Thermus thermophilus, high ATP, state1-1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Kishikawa, J, Nakanishi, A, Nakano, A, Saeki, S, Furuta, A, Kato, T, Mitsuoka, K, Yokoyama, K. | | Deposit date: | 2021-08-30 | | Release date: | 2022-07-13 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural snapshots of V/A-ATPase reveal the rotary catalytic mechanism of rotary ATPases.
Nat Commun, 13, 2022
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7VAP
 | | V1EG of V/A-ATPase from Thermus thermophilus, high ATP, state2-2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Kishikawa, J, Nakanishi, A, Nakano, A, Saeki, S, Furuta, A, Kato, T, Mitsuoka, K, Yokoyama, K. | | Deposit date: | 2021-08-30 | | Release date: | 2022-07-13 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural snapshots of V/A-ATPase reveal the rotary catalytic mechanism of rotary ATPases.
Nat Commun, 13, 2022
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7VAT
 | | V1EG of V/A-ATPase from Thermus thermophilus at low ATP concentration, state2-1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Kishikawa, J, Nakanishi, A, Nakano, A, Saeki, S, Furuta, A, Kato, T, Mitsuoka, K, Yokoyama, K. | | Deposit date: | 2021-08-30 | | Release date: | 2022-07-13 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural snapshots of V/A-ATPase reveal the rotary catalytic mechanism of rotary ATPases.
Nat Commun, 13, 2022
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