4D85
 
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BVI151 | | Descriptor: | (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1, IODIDE ION | | Authors: | Rondeau, J.M, Bourgier, E. | | Deposit date: | 2012-01-10 | | Release date: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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4D8C
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a co-crystallization experiment | | Descriptor: | (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1, SULFATE ION | | Authors: | Rondeau, J.M, Bourgier, E. | | Deposit date: | 2012-01-10 | | Release date: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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4D88
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BXQ490 | | Descriptor: | (3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | Authors: | Rondeau, J.M, Bourgier, E. | | Deposit date: | 2012-01-10 | | Release date: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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4D8G
 | | Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 2 - low Mn) | | Descriptor: | FE (III) ION, MANGANESE (II) ION, Ribonucleoside-diphosphate reductase subunit beta | | Authors: | Dassama, L.M.K, Boal, A.K, Krebs, C, Rosenzweig, A.C, Bollinger Jr, J.M. | | Deposit date: | 2012-01-10 | | Release date: | 2012-02-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1.
J.Am.Chem.Soc., 134, 2012
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4D83
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a co-crystallization experiment | | Descriptor: | (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | Authors: | Rondeau, J.M, Bourgier, E. | | Deposit date: | 2012-01-10 | | Release date: | 2012-11-21 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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1YUB
 | | SOLUTION STRUCTURE OF AN RRNA METHYLTRANSFERASE (ERMAM) THAT CONFERS MACROLIDE-LINCOSAMIDE-STREPTOGRAMIN ANTIBIOTIC RESISTANCE, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | RRNA METHYLTRANSFERASE | | Authors: | Yu, L, Petros, A.M, Schnuchel, A, Zhong, P, Severin, J.M, Walter, K, Holzman, T.F, Fesik, S.W. | | Deposit date: | 1997-03-04 | | Release date: | 1998-03-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of an rRNA methyltransferase (ErmAM) that confers macrolide-lincosamide-streptogramin antibiotic resistance.
Nat.Struct.Biol., 4, 1997
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4EJF
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6G4U
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6G4I
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6G4K
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6G4V
 | | The solution NMR structure of [C18S,C24S]brevinin-1BYa in 33% trifluoroethanol | | Descriptor: | [C18S,C24S]brevinin-1BYa | | Authors: | Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M. | | Deposit date: | 2018-03-28 | | Release date: | 2019-10-16 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides.
Eur.Biophys.J., 48, 2019
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6G4X
 | | The solution NMR structure of [C18S,C24S]brevinin-1BYa in sodium dodecyl sulphate micelles | | Descriptor: | [C18S,C24S]brevinin-1BYa | | Authors: | Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M. | | Deposit date: | 2018-03-28 | | Release date: | 2019-10-16 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides.
Eur.Biophys.J., 48, 2019
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1XSL
 | | Crystal Structure of human DNA polymerase lambda in complex with a one nucleotide DNA gap | | Descriptor: | 5'-D(*CP*GP*GP*CP*AP*GP*CP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*CP*CP*G)-3', ... | | Authors: | Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Kunkel, T.A, Pedersen, L.C. | | Deposit date: | 2004-10-19 | | Release date: | 2005-01-18 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A closed conformation for the Pol lambda catalytic cycle.
Nat.Struct.Mol.Biol., 12, 2005
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1XSN
 | | Crystal Structure of human DNA polymerase lambda in complex with a one nucleotide DNA gap and ddTTP | | Descriptor: | 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*(2DT))-3', ... | | Authors: | Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Kunkel, T.A, Pedersen, L.C. | | Deposit date: | 2004-10-19 | | Release date: | 2005-01-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A closed conformation for the Pol lambda catalytic cycle.
Nat.Struct.Mol.Biol., 12, 2005
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3BOG
 | | Snow Flea Antifreeze Protein Quasi-racemate | | Descriptor: | 6.5 kDa glycine-rich antifreeze protein, UNKNOWN LIGAND | | Authors: | Pentelute, B.L, Kent, S.B.H, Gates, Z.P, Tereshko, V, Kossiakoff, A.A, Kurutz, J, Dashnau, J, Vaderkooi, J.M. | | Deposit date: | 2007-12-17 | | Release date: | 2008-09-23 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | X-ray structure of snow flea antifreeze protein determined by racemic crystallization of synthetic protein enantiomers
J.Am.Chem.Soc., 130, 2008
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1ZU2
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1XSP
 | | Crystal Structure of human DNA polymerase lambda in complex with nicked DNA and pyrophosphate | | Descriptor: | 5'-D(*CP*AP*GP*TP*AP*CP*G)-3', 5'-D(*CP*GP*GP*CP*CP*GP*TP*AP*CP*TP*G)-3', 5'-D(P*GP*CP*CP*G)-3', ... | | Authors: | Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Kunkel, T.A, Pedersen, L.C. | | Deposit date: | 2004-10-19 | | Release date: | 2005-01-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A closed conformation for the Pol lambda catalytic cycle.
Nat.Struct.Mol.Biol., 12, 2005
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4C75
 | | Consensus (ALL-CON) beta-lactamase class A | | Descriptor: | ACETATE ION, BETA-LACTAMASE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M. | | Deposit date: | 2013-09-19 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Phenotypic Comparisons of Consensus Variants Versus Laboratory Resurrections of Precambrian Proteins.
Proteins, 82, 2014
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4C6Y
 | | Ancestral PNCA (last common ancestors of Gram-positive and Gram- negative bacteria) beta-lactamase class A | | Descriptor: | ACETATE ION, BETA-LACTAMASE, CHLORIDE ION, ... | | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M. | | Deposit date: | 2013-09-19 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Phenotypic Comparisons of Consensus Variants Versus Laboratory Resurrections of Precambrian Proteins.
Proteins, 82, 2014
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3BOI
 | | Snow Flea Antifreeze Protein Racemate | | Descriptor: | 6.5 kDa glycine-rich antifreeze protein | | Authors: | Pentelute, B.L, Kent, S.B.H, Gates, Z.P, Tereshko, V, Kossiakoff, A.A, Kurutz, J, Dashnau, J, Vaderkooi, J.M. | | Deposit date: | 2007-12-17 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | X-ray structure of snow flea antifreeze protein determined by racemic crystallization of synthetic protein enantiomers
J.Am.Chem.Soc., 130, 2008
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2ALX
 | | Ribonucleotide Reductase R2 from Escherichia coli in space group P6(1)22 | | Descriptor: | MANGANESE (II) ION, MERCURY (II) ION, Ribonucleoside-diphosphate reductase 1 | | Authors: | Sommerhalter, M, Saleh, L, Bollinger Jr, J.M, Rosenzweig, A.C. | | Deposit date: | 2005-08-08 | | Release date: | 2005-11-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Escherichia coli ribonucleotide reductase R2 in space group P6122.
Acta Crystallogr.,Sect.D, 61, 2005
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2ND3
 | | Solution structure of the de novo mini protein gEEH_04 | | Descriptor: | De novo mini protein EEH_04 | | Authors: | Pulavarti, S.V, Bahl, C.D, Gilmore, J.M, Eletsky, A, Buchko, G.W, Baker, D, Szyperski, T. | | Deposit date: | 2016-04-22 | | Release date: | 2016-09-21 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
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4XBU
 | | In vitro Crystal Structure of PAK4 in complex with Inka peptide | | Descriptor: | Protein FAM212A, Serine/threonine-protein kinase PAK 4 | | Authors: | Baskaran, Y, Ang, K.C, Anekal, P.V, Chan, W.L, Grimes, J.M, Manser, E, Robinson, R.C. | | Deposit date: | 2014-12-17 | | Release date: | 2015-12-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | An in cellulo-derived structure of PAK4 in complex with its inhibitor Inka1
Nat Commun, 6, 2015
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4XBR
 | | In cellulo Crystal Structure of PAK4 in complex with Inka | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein FAM212A,Serine/threonine-protein kinase PAK 4 | | Authors: | Baskaran, Y, Ang, K.C, Anekal, P.V, Chan, W.L, Grimes, J.M, Manser, E, Robinson, R.C. | | Deposit date: | 2014-12-17 | | Release date: | 2015-12-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | An in cellulo-derived structure of PAK4 in complex with its inhibitor Inka1
Nat Commun, 6, 2015
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4XDS
 | | Deoxyguanosinetriphosphate Triphosphohydrolase from Escherichia coli with Nickel | | Descriptor: | Deoxyguanosinetriphosphate triphosphohydrolase, NICKEL (II) ION, SULFATE ION | | Authors: | Singh, D, Gawel, D, Itsko, M, Krahn, J.M, London, R.E, Schaaper, R.M. | | Deposit date: | 2014-12-19 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.354 Å) | | Cite: | Structure of Escherichia coli dGTP Triphosphohydrolase: A HEXAMERIC ENZYME WITH DNA EFFECTOR MOLECULES.
J.Biol.Chem., 290, 2015
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