2MER
 
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2MEQ
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2Y2K
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA5) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ... | | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C, Dessen, A. | | Deposit date: | 2010-12-15 | | Release date: | 2011-08-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol, 6, 2011
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7QUI
 | | Crystal structure of the N-terminal domain of Siglec-8 in complex with sulfonamide sialoside analogue | | Descriptor: | (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid, Sialic acid-binding Ig-like lectin 8 | | Authors: | Lenza, M.P, Oyenarte, I, Atxabal, U, Nycholat, C, Franconetti, A, Quintana, J.I, Delgado, S, Unione, L, Paulson, J, Jimenez-Barbero, J, Ereno-Orbea, J. | | Deposit date: | 2022-01-18 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.352 Å) | | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
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4LEP
 | | Structural insights into substrate recognition in proton dependent oligopeptide transporters | | Descriptor: | N-[(1R)-1-phosphonoethyl]-L-alaninamide, Proton:oligopeptide symporter POT family, ZINC ION | | Authors: | Guettou, F, Quistgaard, E.M, Tresaugues, L, Moberg, P, Jegerschold, C, Zhu, L, Jong, A.J, Nordlund, P, Low, C. | | Deposit date: | 2013-06-26 | | Release date: | 2013-07-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural insights into substrate recognition in proton-dependent oligopeptide transporters.
Embo Rep., 14, 2013
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4R02
 | | yCP in complex with BSc4999 (alpha-Keto Phenylamide) | | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide, Probable proteasome subunit alpha type-7, ... | | Authors: | Voss, C, Scholz, C, Knorr, S, Beck, P, Stein, M, Zall, A, Kuckelkorn, U, Kloetzel, P.-M, Groll, M, Hamacher, K, Schmidt, B. | | Deposit date: | 2014-07-29 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | alpha-Keto Phenylamides as P1'-Extended Proteasome Inhibitors.
Chemmedchem, 9, 2014
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1XYK
 | | NMR Structure of the canine prion protein | | Descriptor: | prion protein | | Authors: | Lysek, D.A, Schorn, C, Esteve-Moya, V, Herrmann, T, Wuthrich, K. | | Deposit date: | 2004-11-10 | | Release date: | 2005-01-04 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Prion protein NMR structures of cats, dogs, pigs, and sheep
Proc.Natl.Acad.Sci.USA, 102, 2005
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1XYQ
 | | NMR structure of the pig prion protein | | Descriptor: | Major prion protein | | Authors: | Lysek, D.A, Schorn, C, Herrmann, T, Wuthrich, K. | | Deposit date: | 2004-11-10 | | Release date: | 2005-01-04 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Prion protein NMR structures of cats, dogs, pigs, and sheep
Proc.Natl.Acad.Sci.Usa, 102, 2005
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6EY7
 | | Human cytomegalovirus terminase nuclease domain, Mn soaked, inhibitor bound | | Descriptor: | 4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Bongarzone, S, Nadal, M, Kaczmarska, Z, Machon, C, Alvarez, M, Albericio, F, Coll, M. | | Deposit date: | 2017-11-10 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Driven Discovery of alpha , gamma-Diketoacid Inhibitors Against UL89 Herpesvirus Terminase.
Acs Omega, 3, 2018
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8AMU
 | | RepB pMV158 OBD domain bound to DDR region | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*GP*TP*CP*GP*CP*CP*GP*AP*AP*AP*AP*GP*TP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*AP*CP*TP*TP*TP*TP*CP*GP*GP*CP*GP*AP*CP*TP*TP*TP*T)-3'), MANGANESE (II) ION, ... | | Authors: | Amodio, J, Machon, C, Boer, R.D, Ruiz-Maso, J.A, del Solar, G, Coll, M. | | Deposit date: | 2022-08-04 | | Release date: | 2023-02-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of pMV158 replication initiator RepB with and without DNA reveal a flexible dual-function protein.
Nucleic Acids Res., 51, 2023
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5LCB
 | | In situ atomic-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum obtained combining solid-state NMR spectroscopy, cryo electron microscopy and polarization spectroscopy | | Descriptor: | BACTERIOCHLOROPHYLL A, Bacteriochlorophyll c-binding protein | | Authors: | Nielsen, J.T, Kulminskaya, N.V, Bjerring, M, Linnanto, J.M, Ratsep, M, Pedersen, M, Lambrev, P.H, Dorogi, M, Garab, G, Thomsen, K, Jegerschold, C, Frigaard, N.U, Lindahl, M, Nielsen, N.C. | | Deposit date: | 2016-06-20 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (26.5 Å), SOLID-STATE NMR | | Cite: | In situ high-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum.
Nat Commun, 7, 2016
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3MVW
 | | X-ray structure of a "NikA+Iron complex" hybrid, NikA/1 | | Descriptor: | 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | | Deposit date: | 2010-05-05 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex
NAT.CHEM., 2, 2010
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3MVY
 | | X-ray structure of the diatomic oxo-intermediate NikA/1-Int', prior hydroxylation | | Descriptor: | 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | | Deposit date: | 2010-05-05 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex
NAT.CHEM., 2, 2010
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3MZ9
 | | X-ray structure of NikA in complex with HBED | | Descriptor: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | | Deposit date: | 2010-05-12 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex
NAT.CHEM., 2, 2010
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3MVX
 | | X-ray structure of the reduced NikA/1 hybrid, NikA/1-Red | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ... | | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | | Deposit date: | 2010-05-05 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex
NAT.CHEM., 2, 2010
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3MVZ
 | | X-ray structure of the (hydro)peroxo intermediate NikA/1-Int", after monohydroxylation of the iron complex | | Descriptor: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, FE (III) ION, ... | | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | | Deposit date: | 2010-05-05 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex
NAT.CHEM., 2, 2010
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1ZEA
 | | Structure of the anti-cholera toxin antibody Fab fragment TE33 in complex with a D-peptide | | Descriptor: | CITRIC ACID, monoclonal anti-cholera toxin IGG1 KAPPA antibody, H chain, ... | | Authors: | Scheerer, P, Krauss, N, Wessner, H, Scholz, C, Otte, L, Seifert, M, Kramer, A, Schneider-Mergener, J, Hoehne, W. | | Deposit date: | 2005-04-18 | | Release date: | 2006-04-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure of an anti-cholera toxin antibody Fab in complex with an epitope-derived D-peptide: a case of polyspecific recognition.
J.Mol.Recognit., 20, 2007
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3MW0
 | | X-ray structure of the doubly hydroxylated iron complex-NikA species, NikA1/O2 | | Descriptor: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid, DITHIANE DIOL, FE (III) ION, ... | | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | | Deposit date: | 2010-05-05 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex
NAT.CHEM., 2, 2010
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3MZB
 | | X-ray structure of NikA in complex with the doubly hydroxylated iron complex, 1-O2 | | Descriptor: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | | Deposit date: | 2010-05-12 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex
NAT.CHEM., 2, 2010
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3DWW
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2K9N
 | | Solution NMR structure of the R2R3 DNA binding domain of Myb1 protein from protozoan parasite Trichomonas vaginalis | | Descriptor: | MYB24 | | Authors: | Lou, Y, Wei, S, Rajasekaran, M, Chou, C, Hsu, H, Tai, J, Chen, C. | | Deposit date: | 2008-10-19 | | Release date: | 2009-03-17 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR structural analysis of DNA recognition by a novel Myb1 DNA-binding domain in the protozoan parasite Trichomonas vaginalis.
Nucleic Acids Res., 37, 2009
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5OWH
 | | High salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol | | Descriptor: | 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Niefind, K, Bretner, M, Chojnacki, C. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases.
Bioorg. Chem., 80, 2018
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5OWL
 | | Low salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol | | Descriptor: | 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Niefind, K, Bretner, M, Chojnacki, C. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases.
Bioorg. Chem., 80, 2018
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1JLA
 | | CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-651 | | Descriptor: | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 RT A-chain, HIV-1 RT B-chain | | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2001-07-16 | | Release date: | 2001-10-03 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
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1JKH
 | | CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) | | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ... | | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2001-07-12 | | Release date: | 2001-10-03 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
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