7PM4
 
 | | Cryo-EM structures of human fucosidase FucA1 reveal insight into substate recognition and catalysis. | | Descriptor: | (2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Tissue alpha-L-fucosidase | | Authors: | Armstrong, Z, Meek, R.W, Wu, L, Blaza, J.N, Davies, G.J. | | Deposit date: | 2021-09-01 | | Release date: | 2022-08-10 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | Cryo-EM structures of human fucosidase FucA1 reveal insight into substrate recognition and catalysis.
Structure, 30, 2022
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1JF8
 | | X-ray structure of reduced C10S, C15A arsenate reductase from pI258 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICARBONATE ION, POTASSIUM ION, ... | | Authors: | Zegers, I, Martins, J.C, Willem, R, Wyns, L, Messens, J. | | Deposit date: | 2001-06-20 | | Release date: | 2001-10-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Arsenate reductase from S. aureus plasmid pI258 is a phosphatase drafted for redox duty.
Nat.Struct.Biol., 8, 2001
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7PTV
 | | Structure of the Mimivirus genomic fibre asymmetric unit | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative glucose-methanol-choline oxidoreductase protein | | Authors: | Villalta, A, Schmitt, A, Estrozi, L.F, Quemin, E.R.J, Alempic, J.M, Lartigue, A, Prazak, V, Belmudes, L, Vasishtan, D, Colmant, A.M.G, Honore, F.A, Coute, Y, Grunewald, K, Abergel, C. | | Deposit date: | 2021-09-27 | | Release date: | 2022-08-10 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The giant mimivirus 1.2 Mb genome is elegantly organized into a 30 nm diameter helical protein shield.
Elife, 11, 2022
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6F05
 | | ARABIDOPSIS THALIANA GSTF9, GSO3 BOUND | | Descriptor: | CHLORIDE ION, GLUTATHIONE SULFONIC ACID, GLYCEROL, ... | | Authors: | Tossounian, M.A, Wahni, K, VanMolle, I, Vertommen, D, Rosado, L, Messens, J. | | Deposit date: | 2017-11-17 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Redox-regulated methionine oxidation of Arabidopsis thaliana glutathione transferase Phi9 induces H-site flexibility.
Protein Sci., 28, 2019
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7PQT
 | | Apo human Kv3.1 cryo-EM structure | | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1 | | Authors: | Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W. | | Deposit date: | 2021-09-20 | | Release date: | 2022-08-17 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
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1JBN
 | | Solution structure of an acyclic permutant of SFTI-1, A trypsin inhibitor from sunflower seeds | | Descriptor: | CYCLIC TRYPSIN INHIBITOR | | Authors: | Korsinczky, M.L.J, Schirra, H.J, Rosengren, K.J, West, J, Condie, B.A, Otvos, L, Anderson, M.A, Craik, D.J. | | Deposit date: | 2001-06-06 | | Release date: | 2001-08-22 | | Last modified: | 2016-12-28 | | Method: | SOLUTION NMR | | Cite: | Solution structures by 1H NMR of the novel cyclic trypsin inhibitor SFTI-1 from sunflower seeds and an acyclic permutant.
J.Mol.Biol., 311, 2001
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7PQU
 | | Ligand-bound human Kv3.1 cryo-EM structure (Lu AG00563) | | Descriptor: | 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1 | | Authors: | Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W. | | Deposit date: | 2021-09-20 | | Release date: | 2022-08-17 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
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5TRC
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5TXG
 | | Crystal structure of the Zika virus NS3 helicase. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NS3 helicase, POTASSIUM ION | | Authors: | Nocadello, S, Light, S.H, Minasov, G, Shuvalova, L, Cardona-Correa, A.A, Ojeda, I, Vargas, J, Johnson, M.E, Lee, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-11-16 | | Release date: | 2016-12-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of the Zika virus NS3 helicase.
To be published
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1OQN
 | | Crystal structure of the phosphotyrosine binding domain (PTB) of mouse Disabled 1 (Dab1) | | Descriptor: | Alzheimer's disease amyloid A4 protein homolog, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Disabled homolog 1 | | Authors: | Yun, M, Keshvara, L, Park, C.-G, Zhang, Y.-M, Dickerson, J.B, Zheng, J, Rock, C.O, Curran, T, Park, H.-W. | | Deposit date: | 2003-03-10 | | Release date: | 2003-08-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of the Dab homology domains of mouse disabled 1 and 2
J.Biol.Chem., 278, 2003
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1ORV
 | | Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... | | Authors: | Engel, M, Hoffmann, T, Wagner, L, Wermann, M, Heiser, U, Kiefersauer, R, Huber, R, Bode, W, Demuth, H.U, Brandstetter, H. | | Deposit date: | 2003-03-16 | | Release date: | 2003-05-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structure of Dipeptidyl Peptidase IV (CD26) Reveals its Functional Regulation and Enzymatic Mechanism
Proc.Natl.Acad.Sci.USA, 100, 2003
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1P6V
 | | Crystal structure of the tRNA domain of transfer-messenger RNA in complex with SmpB | | Descriptor: | 45-MER, SsrA-binding protein | | Authors: | Gutmann, S, Haebel, P.W, Metzinger, L, Sutter, M, Felden, B, Ban, N. | | Deposit date: | 2003-04-30 | | Release date: | 2003-08-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the transfer-RNA domain of transfer-messenger RNA in complex with SmpB
Nature, 424, 2003
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7PQH
 | | Cryo-EM structure of Saccharomyces cerevisiae TOROID (TORC1 Organized in Inhibited Domains). | | Descriptor: | Serine/threonine-protein kinase TOR2, Target of rapamycin complex 1 subunit KOG1,Target of rapamycin complex 1 subunit Kog1, Target of rapamycin complex subunit LST8 | | Authors: | Felix, J, Prouteau, M, Bourgoint, C, Bonadei, L, Desfosses, A, Gabus, C, Sadian, Y, Savvides, S.N, Gutsche, I, Loewith, R. | | Deposit date: | 2021-09-17 | | Release date: | 2023-01-18 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | EGOC inhibits TOROID polymerization by structurally activating TORC1.
Nat.Struct.Mol.Biol., 30, 2023
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1JNH
 | | Crystal Structure of Fab-Estradiol Complexes | | Descriptor: | ESTRADIOL-6 CARBOXYL-METHYL-OXIME, monoclonal anti-estradiol 10G6D6 Fab heavy chain, monoclonal anti-estradiol 10G6D6 Fab light chain | | Authors: | Monnet, C, Bettsworth, F, Stura, E.A, Le Du, M.-H, Menez, R, Derrien, L, Zinn-Justin, S, Gilquin, B, Sibai, G, Battail-Poirot, N, Jolivet, M, Menez, A, Arnaud, M, Ducancel, F, Charbonnier, J.B. | | Deposit date: | 2001-07-24 | | Release date: | 2002-02-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Highly specific anti-estradiol antibodies: structural characterisation and binding diversity.
J.Mol.Biol., 315, 2002
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1OZL
 | | Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications | | Descriptor: | Heme oxygenase 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L. | | Deposit date: | 2003-04-09 | | Release date: | 2003-08-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications
J.Mol.Biol., 330, 2003
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1OZW
 | | Crystal Structures of the Ferric, Ferrous and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications | | Descriptor: | Heme oxygenase 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L. | | Deposit date: | 2003-04-09 | | Release date: | 2003-08-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications
J.Mol.Biol., 330, 2003
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1OS5
 | | Crystal structure of HCV NS5B RNA polymerase complexed with a novel non-competitive inhibitor. | | Descriptor: | 3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE, Hepatitis C virus NS5B RNA polymerase | | Authors: | Love, R.A, Parge, H.E, Yu, X, Hickey, M.J, Diehl, W, Gao, J, Wriggers, H, Ekker, A, Wang, L, Thomson, J.A, Dragovich, P.S, Fuhrman, S.A. | | Deposit date: | 2003-03-18 | | Release date: | 2004-03-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic identification of a noncompetitive inhibitor binding site on the hepatitis C virus NS5B RNA polymerase enzyme.
J.Virol., 77, 2003
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5U6I
 | | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | | Descriptor: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | | Deposit date: | 2016-12-08 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
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1P4T
 | | Crystal structure of Neisserial surface protein A (NspA) | | Descriptor: | ETHANOLAMINE, PENTAETHYLENE GLYCOL MONODECYL ETHER, SULFATE ION, ... | | Authors: | Vandeputte-Rutten, L, Bos, M.P, Tommassen, J, Gros, P. | | Deposit date: | 2003-04-24 | | Release date: | 2003-07-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of Neisserial Surface Protein A (NspA),
a conserved outer membrane protein with vaccine potential
J.Biol.Chem., 278, 2003
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1P73
 | | Crystal structure of EHV4-TK complexed with TP4A | | Descriptor: | P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE, SULFATE ION, Thymidine kinase | | Authors: | Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A. | | Deposit date: | 2003-04-30 | | Release date: | 2003-11-04 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
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1JLD
 | | Potent hiv protease inhibitors containing a novel (hydroxyethyl)amide isostere | | Descriptor: | (2S)-2-tert-butyl-N~4~-(1-ethylpropyl)-N~1~-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(quinolin-2-ylcarbonyl)-L-threonyl]amino}butyl]butanediamide, Pol polyprotein | | Authors: | Tong, L. | | Deposit date: | 1997-05-31 | | Release date: | 1997-12-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Potent HIV protease inhibitors containing a novel (hydroxyethyl)amide isostere.
J.Med.Chem., 40, 1997
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1OUR
 | | LecB (PA-LII) in complex with mannose | | Descriptor: | CALCIUM ION, alpha-D-mannopyranose, hypothetical protein LecB | | Authors: | Loris, R, Tielker, D, Jaeger, K.-E, Wyns, L. | | Deposit date: | 2003-03-25 | | Release date: | 2003-09-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural Basis of Carbohydrate Recognition by the Lectin LecB from Pseudomonas aeruginosa
J.MOL.BIOL., 331, 2003
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5TSQ
 | | Crystal structure of IUnH from Leishmania braziliensis in complex with D-Ribose | | Descriptor: | CALCIUM ION, IUnH, beta-D-ribofuranose | | Authors: | Bachega, J.F.R, Timmers, L.F.S.M, Dalberto, P.F, Martinelli, L, Pinto, A.F.M, Basso, L.A, Norberto de Souza, O, Santos, D.S. | | Deposit date: | 2016-10-31 | | Release date: | 2016-12-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Crystal structure of IUnH from Leishmania braziliensis in complex with D-Ribose
To Be Published
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7QCQ
 | | VHH Z70 in interaction with PHF6 Tau peptide | | Descriptor: | GLYCEROL, Tau 301-312, VHH Z70 | | Authors: | Danis, C, Dupre, E, Zejneli, O, Caillierez, R, Arrial, A, Begard, S, Loyens, A, Mortelecque, J, Cantrelle, F.-X, Hanoulle, X, Rain, J.-C, Colin, M, Buee, L, Landrieu, I. | | Deposit date: | 2021-11-25 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of Tau seeding by targeting Tau nucleation core within neurons with a single domain antibody fragment.
Mol.Ther., 30, 2022
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5U1T
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