6YIE
 
 | | Structure of a Borealin-INCENP-Survivin complex | | Descriptor: | Baculoviral IAP repeat-containing protein 5, Borealin, Inner centromere protein, ... | | Authors: | Serena, M, Elliott, P.R, Barr, F.A. | | Deposit date: | 2020-04-01 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | Molecular basis of MKLP2-dependent Aurora B transport from chromatin to the anaphase central spindle.
J.Cell Biol., 219, 2020
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5F8J
 | | Enterovirus 71 Polymerase Elongation Complex (C1S4 Form) | | Descriptor: | GLYCEROL, Genome polyprotein, MAGNESIUM ION, ... | | Authors: | Shu, B, Gong, P. | | Deposit date: | 2015-12-09 | | Release date: | 2016-06-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.675 Å) | | Cite: | Structural basis of viral RNA-dependent RNA polymerase catalysis and translocation
Proc.Natl.Acad.Sci.USA, 113, 2016
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1DWK
 | | STRUCTURE OF CYANASE WITH THE DI-ANION OXALATE BOUND AT THE ENZYME ACTIVE SITE | | Descriptor: | CYANATE HYDRATASE, OXALATE ION, SULFATE ION | | Authors: | Walsh, M.A, Otwinowski, Z, Perrakis, A, Anderson, P.M, Joachimiak, A. | | Deposit date: | 1999-12-07 | | Release date: | 2000-05-16 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of Cyanase Reveals that a Novel Dimeric and Decameric Arrangement of Subunits is Required for Formation of the Enzyme Active Site.
Structure, 8, 2000
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6XZX
 | | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | | Descriptor: | 1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | | Deposit date: | 2020-02-05 | | Release date: | 2020-09-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
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2VIE
 | | Human BACE-1 in complex with N-((1S,2R)-1-benzyl-2-hydroxy-3-((1,1,5- trimethylhexyl)amino)propyl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl) benzamide | | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-11-30 | | Release date: | 2008-01-29 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
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5W69
 | | HLA-C*06:02 presenting ARFNDLRFV | | Descriptor: | ALA-ARG-PHE-ASN-ASP-LEU-ARG-PHE-VAL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Mobbs, J.I, Vivian, J.P, Rossjohn, J. | | Deposit date: | 2017-06-16 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The molecular basis for peptide repertoire selection in the human leucocyte antigen (HLA) C*06:02 molecule.
J. Biol. Chem., 292, 2017
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6Y00
 | | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | | Descriptor: | 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | | Deposit date: | 2020-02-05 | | Release date: | 2020-09-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
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6M40
 | | Crystal structure of the NS3-like helicase from Alongshan virus | | Descriptor: | NS3-like protein | | Authors: | Gao, X.P, Zhu, K.X, Chen, P, Wojdyla, J.A, Wang, M, Cui, S. | | Deposit date: | 2020-03-05 | | Release date: | 2020-04-08 | | Last modified: | 2020-06-03 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Crystal structure of the NS3-like helicase from Alongshan virus.
Iucrj, 7, 2020
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6Y3M
 | | 14-3-3 Sigma in complex with phosphorylated ATPase peptide | | Descriptor: | 14-3-3 protein sigma, ATPase peptide, CALCIUM ION, ... | | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | | Deposit date: | 2020-02-18 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
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7KYJ
 | | Structure of a GNAT superfamily PA3944 acetyltransferase in complex with zinc | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Acetyltransferase PA3944, ... | | Authors: | Czub, M.P, Porebski, P.J, Cymborowski, M, Shabalin, I.G, Reidl, C.T, Becker, D.P, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-12-07 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a GNAT superfamily PA3944 acetyltransferase in complex with zinc
To Be Published
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5FF0
 | | HydE from T. maritima in complex with S-adenosyl-L-cysteine and methionine | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, Fe4-Se4 cluster, ... | | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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1NE5
 | | Solution Structure of HERG Specific Scorpion Toxin CnErg1 | | Descriptor: | ergtoxin | | Authors: | Torres, A.M, Paramjit, B, Alewood, P, Kuchel, P.W, Vandenberg, J.I. | | Deposit date: | 2002-12-10 | | Release date: | 2003-04-01 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of CnErg1 (Ergtoxin), a HERG specific scorpion toxin
FEBS Lett., 539, 2003
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7UVO
 | | Pfs230 domain 1 bound by RUPA-38 Fab | | Descriptor: | CHLORIDE ION, Gametocyte surface protein P230, ISOPROPYL ALCOHOL, ... | | Authors: | Ivanochko, D, Newton, J, Julien, J.P. | | Deposit date: | 2022-05-02 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
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6Y8E
 | | 14-3-3 Sigma in complex with phosphorylated MLF1 peptide | | Descriptor: | 14-3-3 protein sigma, ARG-SER-PHE-SEP-GLU-PRO-PHE-GLY, CALCIUM ION, ... | | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | | Deposit date: | 2020-03-04 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
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7UVI
 | | Pfs230 domain 1 bound by RUPA-55 Fab | | Descriptor: | Gametocyte surface protein P230, RUPA-55 Fab heavy chain, RUPA-55 Fab light chain | | Authors: | Ivanochko, D, Newton, J, Julien, J.P. | | Deposit date: | 2022-05-02 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
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6S99
 | | Dimethylated fusion protein of RSL and trimeric coiled coil in complex with cucurbit[7]uril | | Descriptor: | 4dzn-RSL,Fucose-binding lectin protein,Fucose-binding lectin protein, beta-D-mannopyranose, cucurbit[7]uril | | Authors: | Ramberg, K, Engilberge, S, Crowley, P.B. | | Deposit date: | 2019-07-11 | | Release date: | 2020-08-26 | | Last modified: | 2022-12-07 | | Method: | X-RAY DIFFRACTION (2.649 Å) | | Cite: | Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons.
Chemistry, 2021
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7S2M
 | | Crystal structure of sulfonamide resistance enzyme Sul3 in complex with 6-hydroxymethylpterin | | Descriptor: | 6-HYDROXYMETHYLPTERIN, Sul3 | | Authors: | Stogios, P.J, Skarina, T, Venkatesan, M, Michalska, K, Mesa, N, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-09-03 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Nat Commun, 14, 2023
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6B5B
 | | Cryo-EM structure of the NAIP5-NLRC4-flagellin inflammasome | | Descriptor: | Baculoviral IAP repeat-containing protein 1e, Flagellin, NLR family CARD domain-containing protein 4 | | Authors: | Tenthorey, J.L, Haloupek, N, Lopez-Blanco, J.R, Grob, P, Adamson, E, Hartenian, E, Lind, N.A, Bourgeois, N.M, Chacon, P, Nogales, E, Vance, R.E. | | Deposit date: | 2017-09-29 | | Release date: | 2017-11-15 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (5.2 Å) | | Cite: | The structural basis of flagellin detection by NAIP5: A strategy to limit pathogen immune evasion.
Science, 358, 2017
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8CPL
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7UVS
 | | Pfs230 domain 1 bound by LMIV230-02 Fab | | Descriptor: | Gametocyte surface protein P230, LMIV230-02 Fab heavy chain, LMIV230-02 Fab light chain, ... | | Authors: | Ivanochko, D, Julien, J.P. | | Deposit date: | 2022-05-02 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
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7S2K
 | | Crystal structure of sulfonamide resistance enzyme Sul2 in complex with 7,8-dihydropteroate, magnesium, and pyrophosphate | | Descriptor: | 4-AMINOBENZOIC ACID, 7,8-DIHYDROPTEROATE, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Skarina, T, Michalska, K, Venkatesan, M, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-09-03 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Nat Commun, 14, 2023
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2VJ7
 | | Human BACE-1 in complex with 3-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-5-(2-oxo-1-pyrrolidinyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-12-06 | | Release date: | 2008-01-29 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
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6YCX
 | | Plasmodium falciparum Myosin A full-length, pre-powerstroke state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin A tail domain interacting protein, ... | | Authors: | Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | | Deposit date: | 2020-03-19 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.99 Å) | | Cite: | Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets.
Elife, 9, 2020
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1SAC
 | | THE STRUCTURE OF PENTAMERIC HUMAN SERUM AMYLOID P COMPONENT | | Descriptor: | ACETIC ACID, CALCIUM ION, SERUM AMYLOID P COMPONENT | | Authors: | White, H.E, Emsley, J, O'Hara, B.P, Oliva, G, Srinivasan, N, Tickle, I.J, Blundell, T.L, Pepys, M.B, Wood, S.P. | | Deposit date: | 1994-01-27 | | Release date: | 1994-05-31 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of pentameric human serum amyloid P component.
Nature, 367, 1994
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5FPL
 | | Crystal structure of human JARID1B in complex with CCT363901 | | Descriptor: | 1,2-ETHANEDIOL, 8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Srikannathasan, V, Yann-Vai, L.B, Nowak, R, Johansson, C, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Huber, K, Oppermann, U. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | 8-Substituted Pyrido[3,4-D]Pyrimidin-4(3H)-One Derivatives as Potent, Cell Permeable, Kdm4 (Jmjd2) and Kdm5 (Jarid1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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