3UY9
 
 | | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | | Descriptor: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2011-12-06 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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1N5A
 | | Crystal structure of the Murine class I Major Histocompatibility Complex of H-2DB, B2-Microglobulin, and A 9-Residue immunodominant peptide epitope gp33 derived from LCMV | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | Authors: | Achour, A, Michaelsson, J, Harris, R.A, Odeberg, J, Grufman, P, Sandberg, J.K, Levitsky, V, Karre, K, Sandalova, T, Schneider, G. | | Deposit date: | 2002-11-05 | | Release date: | 2003-01-07 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A Structural Basis for LCMV Immune Evasion. Subversion of H-2D(b) and H-2K(b) Presentation of
gp33 Revealed by Comparative Crystal Structure Analyses.
Immunity, 17, 2002
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1N59
 | | Crystal structure of the Murine class I Major Histocompatibility Complex of H-2KB, B2-Microglobulin, and A 9-Residue immunodominant peptide epitope gp33 derived from LCMV | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ... | | Authors: | Achour, A, Michaelsson, J, Harris, R.A, Odeberg, J, Grufman, P, Sandberg, J.K, Levitsky, V, Karre, K, Sandalova, T, Schneider, G. | | Deposit date: | 2002-11-05 | | Release date: | 2003-01-07 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | A Structural Basis for LCMV Immune Evasion. Subversion of H-2D(b) and H-2K(b) Presentation of gp33
Revealed by Comparative Crystal Structure Analyses.
Immunity, 17, 2002
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2PUK
 | | Crystal structure of the binary complex between ferredoxin: thioredoxin reductase and thioredoxin m | | Descriptor: | Ferredoxin-thioredoxin reductase, catalytic chain, variable chain, ... | | Authors: | Dai, S, Friemann, R, Schurmann, P, Eklund, H. | | Deposit date: | 2007-05-09 | | Release date: | 2007-07-10 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural snapshots along the reaction pathway of ferredoxin-thioredoxin reductase.
Nature, 448, 2007
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3V0X
 | | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2011-12-09 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bovine trypsin variants X(tripleGlu217Phe227) in complexes with small molecule inhibitor
To be Published
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3V12
 | | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2011-12-09 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3UNQ
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2011-11-16 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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4EX9
 | | Crystal structure of the prealnumycin C-glycosynthase AlnA in complex with ribulose 5-phosphate | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AlnA, CALCIUM ION, ... | | Authors: | Oja, T, Niiranen, L, Sandalova, T, Klika, K.D, Niemi, J, Mantsala, P, Schneider, G, Metsa-Ketela, M. | | Deposit date: | 2012-04-30 | | Release date: | 2013-01-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural basis for C-ribosylation in the alnumycin A biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1B8Q
 | | SOLUTION STRUCTURE OF THE EXTENDED NEURONAL NITRIC OXIDE SYNTHASE PDZ DOMAIN COMPLEXED WITH AN ASSOCIATED PEPTIDE | | Descriptor: | PROTEIN (HEPTAPEPTIDE), PROTEIN (NEURONAL NITRIC OXIDE SYNTHASE) | | Authors: | Tochio, H, Zhang, Q, Mandal, P, Li, M, Zhang, M. | | Deposit date: | 1999-02-01 | | Release date: | 1999-04-29 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the extended neuronal nitric oxide synthase PDZ domain complexed with an associated peptide.
Nat.Struct.Biol., 6, 1999
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2QC7
 | | Crystal structure of the protein-disulfide isomerase related chaperone ERp29 | | Descriptor: | Endoplasmic reticulum protein ERp29 | | Authors: | Barak, N.N, Sevvana, M, Neumann, P, Malesevic, M, Naumann, K, Fischer, G, Sheldrick, G.M, Stubbs, M.T, Ferrari, D.M. | | Deposit date: | 2007-06-19 | | Release date: | 2008-06-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure and functional analysis of the protein disulfide isomerase-related protein ERp29.
J.Mol.Biol., 385, 2009
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2QKH
 | | Crystal structure of the extracellular domain of human GIP receptor in complex with the hormone GIP | | Descriptor: | Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, D(-)-TARTARIC ACID, Glucose-dependent insulinotropic polypeptide, ... | | Authors: | Parthier, C, Kleinschmidt, M, Neumann, P, Rudolph, R, Manhart, S, Schlenzig, D, Fanghanel, J, Rahfeld, J.-U, Demuth, H.-U, Stubbs, M.T. | | Deposit date: | 2007-07-11 | | Release date: | 2007-08-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the incretin-bound extracellular domain of a G protein-coupled receptor
Proc.Natl.Acad.Sci.Usa, 104, 2007
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7N40
 | | Crystal structure of LIN9-RbAp48-LIN37, a MuvB subcomplex | | Descriptor: | Histone-binding protein RBBP4, Isoform 2 of Protein lin-9 homolog, Protein lin-37 homolog | | Authors: | Asthana, A, Ramanan, P, Tripathi, S.M, Rubin, S.M. | | Deposit date: | 2021-06-02 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The MuvB complex binds and stabilizes nucleosomes downstream of the transcription start site of cell-cycle dependent genes.
Nat Commun, 13, 2022
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7NZI
 | | TrmB complex with SAH | | Descriptor: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(7)-)-methyltransferase | | Authors: | Blersch, K.F, Ficner, R, Neumann, P. | | Deposit date: | 2021-03-24 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural model of the M7G46 Methyltransferase TrmB in complex with tRNA.
Rna Biol., 18, 2021
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7NYB
 | | TrmB complex with SAM | | Descriptor: | S-ADENOSYLMETHIONINE, tRNA (guanine-N(7)-)-methyltransferase | | Authors: | Blersch, K.F, Ficner, R, Neumann, P. | | Deposit date: | 2021-03-22 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural model of the M7G46 Methyltransferase TrmB in complex with tRNA.
Rna Biol., 18, 2021
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7OA6
 | | Pseudo-atomic model for Hsp26 residues 63 to 214. Please be advised that the target map is not of sufficient resolution to unambiguously position backbone or side chain atoms. This model represents a likely fit. | | Descriptor: | Heat shock protein 26 | | Authors: | Muehlhofer, M, Peters, C, Kriehuber, T, Kreuzeder, M, Kazman, P, Rodina, N, Reif, B, Haslbeck, M, Weinkauf, S, Buchner, J. | | Deposit date: | 2021-04-19 | | Release date: | 2021-11-24 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (7.8 Å) | | Cite: | Phosphorylation activates the yeast small heat shock protein Hsp26 by weakening domain contacts in the oligomer ensemble.
Nat Commun, 12, 2021
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7NZJ
 | | Structure of bsTrmB apo | | Descriptor: | GLYCEROL, SODIUM ION, tRNA (guanine-N(7)-)-methyltransferase | | Authors: | Blersch, K.F, Ficner, R, Neumann, P. | | Deposit date: | 2021-03-24 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural model of the M7G46 Methyltransferase TrmB in complex with tRNA.
Rna Biol., 18, 2021
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6G2R
 | | Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ... | | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | | Deposit date: | 2018-03-23 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
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1DJ7
 | | CRYSTAL STRUCTURE OF FERREDOXIN THIOREDOXIN REDUCTASE | | Descriptor: | FERREDOXIN THIOREDOXIN REDUCTASE: CATALYTIC CHAIN, FERREDOXIN THIOREDOXIN REDUCTASE: VARIABLE CHAIN, IRON/SULFUR CLUSTER, ... | | Authors: | Dai, S, Schwendtmayer, C, Schurmann, P, Ramaswamy, S, Eklund, H. | | Deposit date: | 1999-12-02 | | Release date: | 2000-02-14 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Redox signaling in chloroplasts: cleavage of disulfides by an iron-sulfur cluster.
Science, 287, 2000
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6G2S
 | | Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside | | Descriptor: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin | | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | | Deposit date: | 2018-03-23 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
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1F5L
 | | UROKINASE PLASMINOGEN ACTIVATOR B-CHAIN-AMILORIDE COMPLEX | | Descriptor: | 3,5-DIAMINO-N-(AMINOIMINOMETHYL)-6-CHLOROPYRAZINECARBOXAMIDE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | Authors: | Zeslawska, E, Schweinitz, A, Karcher, A, Sondermann, P, Sperl, S, Sturzebecher, J, Jacob, U. | | Deposit date: | 2000-06-15 | | Release date: | 2001-06-15 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystals of the urokinase type plasminogen activator variant beta(c)-uPAin complex with small molecule inhibitors open the way towards structure-based drug design.
J.Mol.Biol., 301, 2000
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1F5K
 | | UROKINASE PLASMINOGEN ACTIVATOR B-CHAIN-BENZAMIDINE COMPLEX | | Descriptor: | BENZAMIDINE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | Authors: | Zeslawska, E, Schweinitz, A, Karcher, A, Sondermann, P, Sperl, S, Sturzebecher, J, Jacob, U. | | Deposit date: | 2000-06-15 | | Release date: | 2001-06-15 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystals of the urokinase type plasminogen activator variant beta(c)-uPAin complex with small molecule inhibitors open the way towards structure-based drug design.
J.Mol.Biol., 301, 2000
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1F9M
 | | CRYSTAL STRUCTURE OF THIOREDOXIN F FROM SPINACH CHLOROPLAST (SHORT FORM) | | Descriptor: | THIOREDOXIN F | | Authors: | Capitani, G, Markovic-Housley, Z, DelVal, G, Morris, M, Jansonius, J.N, Schurmann, P. | | Deposit date: | 2000-07-11 | | Release date: | 2000-09-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structures of two functionally different thioredoxins in spinach chloroplasts.
J.Mol.Biol., 302, 2000
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1FB0
 | | CRYSTAL STRUCTURE OF THIOREDOXIN M FROM SPINACH CHLOROPLAST (REDUCED FORM) | | Descriptor: | THIOREDOXIN M | | Authors: | Capitani, G, Markovic-Housley, Z, DelVal, G, Morris, M, Jansonius, J.N, Schurmann, P. | | Deposit date: | 2000-07-14 | | Release date: | 2000-09-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structures of two functionally different thioredoxins in spinach chloroplasts.
J.Mol.Biol., 302, 2000
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1FB6
 | | CRYSTAL STRUCTURE OF THIOREDOXIN M FROM SPINACH CHLOROPLAST (OXIDIZED FORM) | | Descriptor: | THIOREDOXIN M | | Authors: | Capitani, G, Markovic-Housley, Z, DelVal, G, Morris, M, Jansonius, J.N, Schurmann, P. | | Deposit date: | 2000-07-14 | | Release date: | 2000-09-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of two functionally different thioredoxins in spinach chloroplasts.
J.Mol.Biol., 302, 2000
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1F92
 | | UROKINASE PLASMINOGEN ACTIVATOR B CHAIN-UKI-1D COMPLEX | | Descriptor: | SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR, [2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO-PHENYLALANINYL]]-N'-BETA-ALANINYL-PIPERAZINE | | Authors: | Zeslawska, E, Schweinitz, A, Karcher, A, Sondermann, P, Sperl, S, Sturzebecher, J, Jacob, U. | | Deposit date: | 2000-07-06 | | Release date: | 2001-07-06 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystals of the urokinase type plasminogen activator variant beta(c)-uPAin complex with small molecule inhibitors open the way towards structure-based drug design.
J.Mol.Biol., 301, 2000
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