8V0B
 
 | | Structure of TDP1 catalytic domain complexed with compound IB05 | | Descriptor: | 1,2-ETHANEDIOL, 8-{4-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke Jr, T.R. | | Deposit date: | 2023-11-17 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structures of TDP1 complexed with inhibitors
To Be Published
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6M48
 | | Crystal structure of pilus adhesin, SpaC from Lactobacillus rhamnosus GG - P21212 form | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SpaC | | Authors: | Kant, A, Palva, A, Von Ossowaski, I, Krishnan, V. | | Deposit date: | 2020-03-05 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of lactobacillar SpaC reveals an atypical five-domain pilus tip adhesin: Exposing its substrate-binding and assembly in SpaCBA pili.
J.Struct.Biol., 211, 2020
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8B2N
 | | Potempin A (PotA) from Tannerella forsythia in complex with the catalytic domain of human MMP-12 | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, Tannerella forsythia potempin A (PotA), ... | | Authors: | Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T. | | Deposit date: | 2022-09-14 | | Release date: | 2022-12-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
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8B2M
 | | Matrix-metallopeptidase inhibitor Potempin A (PotA) from Tannerella forsythia | | Descriptor: | NICKEL (II) ION, Tannerella forsythia Potempin A (PotA) | | Authors: | Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T. | | Deposit date: | 2022-09-14 | | Release date: | 2022-12-21 | | Last modified: | 2023-02-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
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8B2Q
 | | Matrix-metallopeptidase inhibitor Potempin A (PotA) from Tannerella forsythia in complex with T. forsythia karilysin. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T. | | Deposit date: | 2022-09-14 | | Release date: | 2022-12-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
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4QXU
 | | Novel Inhibition Mechanism of Membrane Metalloprotease by an Exosite-Swiveling Conformational antibody | | Descriptor: | Matrix metalloproteinase-14, SULFATE ION, anti_MT1-MMP Heavy chain, ... | | Authors: | Udi, Y, Grossman, M, Solomonov, I, Dym, O, Rozenberg, H, Moreno, v, Cuiniasse, P, Dive, V, Arroyo, A.G, Sagi, I, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2014-07-22 | | Release date: | 2014-12-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody.
Structure, 23, 2015
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4R43
 | | Crystal Structure Analysis of MTB PEPCK | | Descriptor: | DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | | Authors: | Brynda, J, Dostal, J, Pichova, I, Snasel, J, Fanfrlik, J, Machova, I. | | Deposit date: | 2014-08-19 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Functional Studies of Phosphoenolpyruvate Carboxykinase from Mycobacterium tuberculosis.
Plos One, 10, 2015
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3LOJ
 | | Structure of Mycobacterium tuberculosis dUTPase H145A mutant | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | | Authors: | Leveles, I, Harmat, V, Pecsi, I, Lopata, A, Vertessy, B.G, Toth, J. | | Deposit date: | 2010-02-04 | | Release date: | 2010-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Aromatic stacking between nucleobase and enzyme promotes phosphate ester hydrolysis in dUTPase
Nucleic Acids Res., 38, 2010
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6YNQ
 | | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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8VTN
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8VTK
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8VTL
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8VTJ
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8VTO
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8VTM
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3MC9
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4YT9
 | | Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) substrate-unbound. | | Descriptor: | GLYCEROL, Peptidylarginine deiminase, SODIUM ION | | Authors: | Goulas, T, Mizgalska, D, Garcia-Ferrer, I, Kantyka, T, Guevara, T, Szmigielski, B, Sroka, A, Millan, C, Uson, I, Veillard, F, Potempa, B, Mydel, P, Sola, M, Potempa, J, Gomis-Ruth, F.X. | | Deposit date: | 2015-03-17 | | Release date: | 2015-07-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase.
Sci Rep, 5, 2015
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8VT5
 | | Crystal structure of human menRNA | | Descriptor: | menRNA | | Authors: | Skeparnias, I, Zhang, J. | | Deposit date: | 2024-01-25 | | Release date: | 2024-07-24 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structural basis of NEAT1 lncRNA maturation and menRNA instability.
Nat.Struct.Mol.Biol., 2024
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8W5B
 | | Crystal Structure of the shaft pilin LrpA from Ligilactobacillus ruminis | | Descriptor: | IODIDE ION, LPXTG-motif cell wall anchor domain protein | | Authors: | Prajapati, A, Palva, A, von Ossowski, I, Krishnan, V. | | Deposit date: | 2023-08-26 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | The crystal structure of the N-terminal domain of the backbone pilin LrpA reveals a new closure-and-twist motion for assembling dynamic pili in Ligilactobacillus ruminis.
Acta Crystallogr D Struct Biol, 80, 2024
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8WB8
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8VRA
 | | Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate | | Descriptor: | AMG 510 (bound form), Beta-2-microglobulin, GTPase KRas, ... | | Authors: | Maso, L, Bang, I, Koide, S. | | Deposit date: | 2024-01-20 | | Release date: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Molecular basis for antibody recognition of multiple drug-peptide/MHC complexes.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VZV
 | | Human TDO (hTDO) in complex with LM10 | | Descriptor: | 6-fluoro-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-1H-indole, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ... | | Authors: | Ishigami, I, Yeh, S.-R, Lewis-Ballester, A. | | Deposit date: | 2024-02-12 | | Release date: | 2024-08-28 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural Insights into Protein-Inhibitor Interactions in Human Tryptophan Dioxygenase.
J.Med.Chem., 67, 2024
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8VRB
 | | Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate | | Descriptor: | AMG 510 (bound form), Beta-2-microglobulin, GTPase KRas, ... | | Authors: | Maso, L, Bang, I, Koide, S. | | Deposit date: | 2024-01-20 | | Release date: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Molecular basis for antibody recognition of multiple drug-peptide/MHC complexes.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VR9
 | | Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate | | Descriptor: | AMG 510 (bound form), Beta-2-microglobulin, GTPase KRas, ... | | Authors: | Maso, L, Bang, I, Koide, S. | | Deposit date: | 2024-01-20 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Molecular basis for antibody recognition of multiple drug-peptide/MHC complexes.
Proc.Natl.Acad.Sci.USA, 121, 2024
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3MC8
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