5CIN
 
 | | Crystal Structure of non-neutralizing version of 4E10 (DeltaLoop) with epitope bound | | Descriptor: | CHLORIDE ION, FAB 4E10 HEAVY CHAIN, FAB 4E10 LIGHT CHAIN, ... | | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L, Tsumoto, K. | | Deposit date: | 2015-07-13 | | Release date: | 2015-09-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Thermodynamic Basis of Epitope Binding by Neutralizing and Nonneutralizing Forms of the Anti-HIV-1 Antibody 4E10
J.Virol., 89, 2015
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5GHW
 | | Crystal structure of broad neutralizing antibody 10E8 with long epitope bound | | Descriptor: | Endogenous retrovirus group K member 8 Env polyprotein, FAB 10E8 HEAVY CHAIN, FAB 10E8 LIGHT CHAIN, ... | | Authors: | Caaveiro, J.M.M, Rujas, E, Morante, K, Nieva, J.L, Tsumoto, K. | | Deposit date: | 2016-06-21 | | Release date: | 2016-11-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for broad neutralization of HIV-1 through the molecular recognition of 10E8 helical epitope at the membrane interface
Sci Rep, 6, 2016
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8B6X
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8B6Y
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1NCG
 | | STRUCTURAL BASIS OF CELL-CELL ADHESION BY CADHERINS | | Descriptor: | N-CADHERIN, YTTERBIUM (III) ION | | Authors: | Shapiro, L, Fannon, A.M, Kwong, P.D, Thompson, A, Lehmann, M.S, Grubel, G, Legrand, J.-F, Als-Nielsen, J, Colman, D.R, Hendrickson, W.A. | | Deposit date: | 1995-03-23 | | Release date: | 1995-07-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of cell-cell adhesion by cadherins.
Nature, 374, 1995
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1NCI
 | | STRUCTURAL BASIS OF CELL-CELL ADHESION BY CADHERINS | | Descriptor: | N-CADHERIN, URANYL (VI) ION | | Authors: | Shapiro, L, Fannon, A.M, Kwong, P.D, Thompson, A, Lehmann, M.S, Grubel, G, Legrand, J.-F, Als-Nielsen, J, Colman, D.R, Hendrickson, W.A. | | Deposit date: | 1995-03-23 | | Release date: | 1995-07-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of cell-cell adhesion by cadherins.
Nature, 374, 1995
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8VLL
 | | Crystal structure of the yeast cytosine deaminase (yCD) M100W mutant | | Descriptor: | 1,2-ETHANEDIOL, Cytosine deaminase, PHOSPHATE ION, ... | | Authors: | Picard, M.-E, Grenier, J, Despres, P.C, Dube, A.K, Landry, C.R, Shi, R. | | Deposit date: | 2024-01-11 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Compensatory mutations potentiate constructive neutral evolution by gene duplication.
Science, 385, 2024
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5ET6
 | | Human muscle fructose-1,6-bisphosphatase in inactive T-state in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase isozyme 2 | | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | | Deposit date: | 2015-11-17 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.845 Å) | | Cite: | T-to-R switch of muscle fructose-1,6-bisphosphatase involves fundamental changes of secondary and quaternary structure.
Acta Crystallogr D Struct Biol, 72, 2016
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7Z6O
 | | X-Ray studies of Ku70/80 reveal the binding site for IP6 | | Descriptor: | DNA (5'-D(*GP*TP*TP*TP*TP*TP*AP*GP*TP*TP*TP*AP*T)-3'), DNA (5'-D(P*AP*AP*AP*TP*AP*AP*AP*CP*TP*AP*AP*AP*AP*AP*C)-3'), INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Varela, P.F, Charbonnier, J.B. | | Deposit date: | 2022-03-14 | | Release date: | 2023-08-30 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction.
Nucleic Acids Res., 51, 2023
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5CIP
 | | Crystal Structure of Unbound 4E10 | | Descriptor: | FAB 4E10 HEAVY CHAIN, FAB 4E10 LIGHT CHAIN | | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L, Tsumoto, K. | | Deposit date: | 2015-07-13 | | Release date: | 2015-09-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural and Thermodynamic Basis of Epitope Binding by Neutralizing and Nonneutralizing Forms of the Anti-HIV-1 Antibody 4E10
J.Virol., 89, 2015
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2QA2
 | | Crystal structure of CabE, an aromatic hydroxylase from angucycline biosynthesis, determined to 2.7 A resolution | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Polyketide oxygenase CabE | | Authors: | Koskiniemi, H, Dobritzsch, D, Metsa-Ketela, M, Kallio, P, Niemi, J, Schneider, G. | | Deposit date: | 2007-06-14 | | Release date: | 2007-08-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of two aromatic hydroxylases involved in the early tailoring steps of angucycline biosynthesis
J.Mol.Biol., 372, 2007
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6EHO
 | | Dimer of the Sortilin Vps10p domain at low pH | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Thirup, S.S, Quistgaard, E.H, Januliene, D, Andersen, J.L, Nielsen, J.A. | | Deposit date: | 2017-09-14 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Acidic Environment Induces Dimerization and Ligand Binding Site Collapse in the Vps10p Domain of Sortilin.
Structure, 25, 2017
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5ET5
 | | Human muscle fructose-1,6-bisphosphatase in active R-state | | Descriptor: | Fructose-1,6-bisphosphatase isozyme 2 | | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | | Deposit date: | 2015-11-17 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | T-to-R switch of muscle fructose-1,6-bisphosphatase involves fundamental changes of secondary and quaternary structure.
Acta Crystallogr D Struct Biol, 72, 2016
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5ET7
 | | Human muscle fructose-1,6-bisphosphatase in inactive T-state | | Descriptor: | Fructose-1,6-bisphosphatase isozyme 2 | | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | | Deposit date: | 2015-11-17 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.989 Å) | | Cite: | T-to-R switch of muscle fructose-1,6-bisphosphatase involves fundamental changes of secondary and quaternary structure.
Acta Crystallogr D Struct Biol, 72, 2016
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6ERG
 | | Complex of XLF and heterodimer Ku bound to DNA | | Descriptor: | DNA (21-MER), DNA (34-MER), Non-homologous end-joining factor 1, ... | | Authors: | Nemoz, C, Legrand, P, Ropars, V, Charbonnier, J.B. | | Deposit date: | 2017-10-18 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | XLF and APLF bind Ku80 at two remote sites to ensure DNA repair by non-homologous end joining.
Nat. Struct. Mol. Biol., 25, 2018
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5MTK
 | | Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199) | | Descriptor: | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | | Deposit date: | 2017-01-09 | | Release date: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Playing against the odds: scaffold hopping from 3D-fragments
To Be Published
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5J0F
 | | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P4/5 | | Descriptor: | GLYCEROL, Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | | Deposit date: | 2016-03-28 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Tricking a Protein To Swap Strands.
J. Am. Chem. Soc., 138, 2016
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5MMV
 | | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) | | Descriptor: | (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | | Deposit date: | 2016-12-12 | | Release date: | 2017-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1)
To Be Published
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5J0G
 | | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P7/8 | | Descriptor: | OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | | Deposit date: | 2016-03-28 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tricking a Protein To Swap Strands.
J. Am. Chem. Soc., 138, 2016
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6FHN
 | | Structural dynamics and catalytic properties of a multi-modular xanthanase (Pt derivative) | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Moroz, O.V, Jensen, P.F, McDonald, S.P, McGregor, N, Blagova, E, Comamala, G, Segura, D.R, Anderson, L, Vasu, S.M, Rao, V.P, Giger, L, Monrad, R.N, Svendsen, A, Nielsen, J.E, Henrissat, B, Davies, G.J, Brumer, H, Rand, K, Wilson, K.S. | | Deposit date: | 2018-01-15 | | Release date: | 2018-08-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Dynamics and Catalytic Properties of a Multimodular Xanthanase
Acs Catalysis, 2018
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6FHJ
 | | Structural dynamics and catalytic properties of a multi-modular xanthanase, native. | | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Moroz, O.V, Jensen, P.F, McDonald, S.P, McGregor, N, Blagova, E, Comamala, G, Segura, D.R, Anderson, L, Vasu, S.M, Rao, V.P, Giger, L, Monrad, R.N, Svendsen, A, Nielsen, J.E, Henrissat, B, Davies, G.J, Brumer, H, Rand, K, Wilson, K.S. | | Deposit date: | 2018-01-14 | | Release date: | 2018-08-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural Dynamics and Catalytic Properties of a Multimodular Xanthanase
Acs Catalysis, 2018
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3ZJV
 | | Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3213 in the editing conformation | | Descriptor: | LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR | | Authors: | Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
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3ZJT
 | | Ternary complex of E.coli leucyl-tRNA synthetase, tRNA(Leu)574 and the benzoxaborole AN3017 in the editing conformation | | Descriptor: | LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR | | Authors: | Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
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3ZJU
 | | Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3016 in the editing conformation | | Descriptor: | LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR | | Authors: | Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
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8ASC
 | | Ku70/80 binds to the Ku-binding motif of PAXX | | Descriptor: | DNA (5'-D(P*CP*GP*GP*AP*TP*CP*GP*AP*GP*GP*GP*CP*CP*CP*GP*AP*TP*AP*T)-3'), DNA (5'-D(P*GP*GP*GP*CP*CP*CP*TP*CP*GP*AP*TP*CP*CP*G)-3'), Protein PAXX, ... | | Authors: | Seif El Dahan, M, Ropars, V, Charbonnier, J.B. | | Deposit date: | 2022-08-19 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
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