2WEZ
 
 | | Human BACE-1 in complex with 1-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-4-(2-oxo-1- pyrrolidinyl)-1H-indole-6-carboxamide | | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-1-ETHYL-4-(2-OXOPYRROLIDIN-1-YL)-1H-INDOLE-6-CARBOXAMIDE | | Authors: | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | | Deposit date: | 2009-04-02 | | Release date: | 2009-05-19 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Second Generation of Bace-1 Inhibitors. Part 1: The Need for Improved Pharmacokinetics.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
1TKQ
 | | SOLUTION STRUCTURE OF A LINKED UNSYMMETRIC GRAMICIDIN IN A MEMBRANE-ISOELECTRICAL SOLVENTS MIXTURE IN THE PRESENCE OF CsCl | | Descriptor: | GRAMICIDIN A, MINI-GRAMICIDIN A, SUCCINIC ACID | | Authors: | Xie, X, Al-Momani, L, Bockelmann, D, Griesinger, C, Koert, U. | | Deposit date: | 2004-06-09 | | Release date: | 2004-07-13 | | Last modified: | 2019-09-25 | | Method: | SOLUTION NMR | | Cite: | An Asymmetric Ion Channel Derived from Gramicidin A. Synthesis, Function and NMR Structure.
FEBS J., 272, 2005
|
|
2IOV
 | | Bright-state structure of the reversibly switchable fluorescent protein Dronpa | | Descriptor: | Fluorescent protein Dronpa | | Authors: | Stiel, A.C, Trowitzsch, S, Weber, G, Andresen, M, Eggeling, C, Hell, S.W, Jakobs, S, Wahl, M.C. | | Deposit date: | 2006-10-11 | | Release date: | 2006-12-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1.8 A bright-state structure of the reversibly switchable fluorescent protein Dronpa guides the generation of fast switching variants
Biochem.J., 402, 2007
|
|
1QEW
 | | HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201) COMPLEX WITH A NONAMERIC PEPTIDE FROM MELANOMA-ASSOCIATED ANTIGEN 3 (RESIDUES 271-279) | | Descriptor: | PROTEIN (BETA-2-MICROGLOBULIN), PROTEIN (HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-35 B* 3501 ALPHA CHAIN), ... | | Authors: | Orth, P, Alings, C, Saenger, W, Ziegler, A. | | Deposit date: | 1999-04-02 | | Release date: | 2003-11-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201)
COMPLEX WITH A NONAMERIC PEPTIDE FROM MELANOMA-ASSOCIATED
ANTIGEN 3 (RESIDUES 271-279)
To be Published
|
|
5NKU
 | | Joint neutron/X-ray structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 | | Descriptor: | CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ... | | Authors: | Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K. | | Deposit date: | 2017-04-03 | | Release date: | 2018-02-28 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
|
|
5NZK
 | | Crystal structure of UDP-glucose pyrophosphorylase from Leishmania major in complex with phenylalanine | | Descriptor: | PHENYLALANINE, SULFATE ION, UDP-glucose pyrophosphorylase | | Authors: | Cramer, J.T, Fuehring, J.I, Baruch, P, Bruetting, C, Hesse, R, Knoelker, H.-J, Gerardy-Schahn, R, Fedorov, R. | | Deposit date: | 2017-05-14 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies
Acs Catalysis, 8, 2018
|
|
2KV7
 | | NMR solution structure of a soluble PrgI mutant from Salmonella Typhimurium | | Descriptor: | Protein prgI | | Authors: | Schmidt, H, Poyraz, O, Seidel, K, Delissen, F, Ader, C, Tenenboim, H, Goosmann, C, Laube, B, Thuenemann, A.F, Zychlinski, A, Baldus, M, Lange, A, Griesinger, C, Kolbe, M. | | Deposit date: | 2010-03-09 | | Release date: | 2010-06-16 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Protein refolding is required for assembly of the type three secretion needle.
Nat.Struct.Mol.Biol., 17, 2010
|
|
1OKI
 | |
5O4E
 | | Crystal structure of VEGF in complex with heterodimeric Fcab JanusCT6 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Mlynek, G, Lobner, E, Kubinger, K, Humm, A, Obinger, C, Djinovic-Carugo, K. | | Deposit date: | 2017-05-29 | | Release date: | 2017-08-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Two-faced Fcab prevents polymerization with VEGF and reveals thermodynamics and the 2.15 angstrom crystal structure of the complex.
MAbs, 9, 2017
|
|
5NZI
 | | Crystal structure of UDP-glucose pyrophosphorylase S374F mutant from Leishmania major in complex with UDP-glucose | | Descriptor: | 1,2-ETHANEDIOL, UDP-glucose pyrophosphorylase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Cramer, J.T, Fuehring, J.I, Baruch, P, Bruetting, C, Hesse, R, Knoelker, H.-J, Gerardy-Schahn, R, Fedorov, R. | | Deposit date: | 2017-05-14 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies
Acs Catalysis, 8, 2018
|
|
5NZG
 | | Crystal structure of UDP-glucose pyrophosphorylase S374W mutant from Leishmania major in complex with UDP-glucose | | Descriptor: | 1,2-ETHANEDIOL, UDP-glucose pyrophosphorylase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Cramer, J.T, Fuehring, J.I, Baruch, P, Bruetting, C, Hesse, R, Knoelker, H.-J, Gerardy-Schahn, R, Fedorov, R. | | Deposit date: | 2017-05-14 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies
Acs Catalysis, 8, 2018
|
|
5NZM
 | | Crystal structure of UDP-glucose pyrophosphorylase from Leishmania major in complex with murrayamine-I | | Descriptor: | Murrayamine-I, UDP-glucose pyrophosphorylase | | Authors: | Cramer, J.T, Fuehring, J.I, Baruch, P, Bruetting, C, Hesse, R, Knoelker, H.-J, Gerardy-Schahn, R, Fedorov, R. | | Deposit date: | 2017-05-14 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies
Acs Catalysis, 8, 2018
|
|
2LSV
 | | The NMR high resolution structure of yeast Tah1 in complex with the Hsp90 C-terminal tail | | Descriptor: | ATP-dependent molecular chaperone HSP82, TPR repeat-containing protein associated with Hsp90 | | Authors: | Back, R, Dominguez, C, Rothe, B, Bobo, C, Beaufils, C, Morera, S, Meyer, P, Charpentier, B, Branlant, C, Allain, F, Manival, X. | | Deposit date: | 2012-05-07 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | High-Resolution Structural Analysis Shows How Tah1 Tethers Hsp90 to the R2TP Complex.
Structure, 21, 2013
|
|
5NZL
 | | Crystal structure of UDP-glucose pyrophosphorylase from Leishmania major in complex with resveratrol | | Descriptor: | 1,2-ETHANEDIOL, RESVERATROL, UDP-glucose pyrophosphorylase | | Authors: | Cramer, J.T, Fuehring, J.I, Baruch, P, Bruetting, C, Hesse, R, Knoelker, H.-J, Gerardy-Schahn, R, Fedorov, R. | | Deposit date: | 2017-05-14 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies
Acs Catalysis, 8, 2018
|
|
1QRR
 | | CRYSTAL STRUCTURE OF SQD1 PROTEIN COMPLEX WITH NAD AND UDP-GLUCOSE | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, URIDINE-5'-DIPHOSPHATE-GLUCOSE, ... | | Authors: | Mulichak, A.M, Theisen, M.J, Essigmann, B, Benning, C, Garavito, R.M. | | Deposit date: | 1999-06-15 | | Release date: | 1999-11-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of SQD1, an enzyme involved in the biosynthesis of the plant sulfolipid headgroup donor UDP-sulfoquinovose.
Proc.Natl.Acad.Sci.USA, 96, 1999
|
|
1OJG
 | | Sensory domain of the membraneous two-component fumarate sensor DcuS of E. coli | | Descriptor: | SENSOR PROTEIN DCUS | | Authors: | Pappalardo, L, Janausch, I.G, Vijayan, V, Zientz, E, Junker, J, Peti, W, Zweckstetter, M, Unden, G, Griesinger, C. | | Deposit date: | 2003-07-10 | | Release date: | 2003-08-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The NMR structure of the sensory domain of the membranous two-component fumarate sensor (histidine protein kinase) DcuS of Escherichia coli.
J. Biol. Chem., 278, 2003
|
|
7DVO
 | | Structure of Reaction Intermediate of Cytochrome P450 NO Reductase (P450nor) Determined by XFEL | | Descriptor: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | | Authors: | Nomura, T, Kimura, T, Kanematsu, Y, Yamashita, K, Hirata, K, Ueno, G, Murakami, H, Hisano, T, Yamagiwa, R, Takeda, H, Gopalasingam, C, Yuki, K, Kousaka, R, Yanagasawa, S, Shoji, O, Kumasaka, T, Takano, Y, Ago, H, Yamamoto, M, Sugimoto, H, Tosha, T, Kubo, M, Shiro, Y. | | Deposit date: | 2021-01-14 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Short-lived intermediate in N 2 O generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
5NZJ
 | | Crystal structure of UDP-glucose pyrophosphorylase G45Y mutant from Leishmania major in complex with UDP-glucose | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, UDP-glucose pyrophosphorylase, ... | | Authors: | Cramer, J.T, Fuehring, J.I, Baruch, P, Bruetting, C, Hesse, R, Knoelker, H.-J, Gerardy-Schahn, R, Fedorov, R. | | Deposit date: | 2017-05-14 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies
Acs Catalysis, 8, 2018
|
|
5NZH
 | | Crystal structure of UDP-glucose pyrophosphorylase V402W mutant from Leishmania major | | Descriptor: | UDP-glucose pyrophosphorylase | | Authors: | Cramer, J.T, Fuehring, J.I, Baruch, P, Bruetting, C, Hesse, R, Knoelker, H.-J, Gerardy-Schahn, R, Fedorov, R. | | Deposit date: | 2017-05-14 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies
Acs Catalysis, 8, 2018
|
|
2JK4
 | | Structure of the human voltage-dependent anion channel | | Descriptor: | VOLTAGE-DEPENDENT ANION-SELECTIVE CHANNEL PROTEIN 1 | | Authors: | Bayrhuber, M, Meins, T, Habeck, M, Becker, S, Giller, K, Villinger, S, Vonrhein, C, Griesinger, C, Zweckstetter, M, Zeth, K. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Structure of the Human Voltage-Dependent Anion Channel.
Proc.Natl.Acad.Sci.USA, 105, 2008
|
|
5NKV
 | | Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 at pH 9.0 and 293 K. | | Descriptor: | CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ... | | Authors: | Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K. | | Deposit date: | 2017-04-03 | | Release date: | 2018-01-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
|
|
5NWX
 | | Insight into the molecular recognition mechanism of the coactivator NCoA1 by STAT6 | | Descriptor: | Nuclear receptor coactivator 1, Signal transducer and activator of transcription 6 | | Authors: | Russo, L, Giller, K, Pfitzner, E, Griesinger, C, Becker, S. | | Deposit date: | 2017-05-08 | | Release date: | 2017-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Insight into the molecular recognition mechanism of the coactivator NCoA1 by STAT6.
Sci Rep, 7, 2017
|
|
2K39
 | | Recognition dynamics up to microseconds revealed from RDC derived ubiquitin ensemble in solution | | Descriptor: | Ubiquitin | | Authors: | Lange, O.F, Lakomek, N.A, Fares, C, Schroder, G, Walter, K, Becker, S, Meiler, J, Grubmuller, H, Griesinger, C, de Groot, B.L. | | Deposit date: | 2008-04-25 | | Release date: | 2008-06-24 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution.
Science, 320, 2008
|
|
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
|
|
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
|
|
