328D
 
 | | STRUCTURE OF A D(CGCGAATTCGCG)2-SN7167 COMPLEX | | Descriptor: | 4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Squire, C.J, Clark, G.R, Denny, W.A. | | Deposit date: | 1997-04-15 | | Release date: | 1997-04-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Minor groove binding of a bis-quaternary ammonium compound: the crystal structure of SN 7167 bound to d(CGCGAATTCGCG)2.
Nucleic Acids Res., 25, 1997
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1C9P
 | | COMPLEX OF BDELLASTASIN WITH PORCINE TRYPSIN | | Descriptor: | BDELLASTASIN, CALCIUM ION, TRYPSIN | | Authors: | Rester, U. | | Deposit date: | 1999-08-03 | | Release date: | 2000-08-03 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the complex of the antistasin-type inhibitor bdellastasin with trypsin and modelling of the bdellastasin-microplasmin system.
J.Mol.Biol., 293, 1999
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1C9T
 | | COMPLEX OF BDELLASTASIN WITH BOVINE TRYPSIN | | Descriptor: | BDELLASTASIN, TRYPSIN | | Authors: | Rester, U, Bode, W, Moser, M, Parry, M.A, Huber, R, Auerswald, E. | | Deposit date: | 1999-08-03 | | Release date: | 2000-08-03 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of the complex of the antistasin-type inhibitor bdellastasin with trypsin and modelling of the bdellastasin-microplasmin system.
J.Mol.Biol., 293, 1999
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3PWC
 | | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2010-12-08 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 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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3PYH
 | | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | | Descriptor: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2010-12-13 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 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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2C1F
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3PMJ
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | Descriptor: | CALCIUM ION, CHLORIDE ION, Cationic trypsin, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2010-11-17 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.45 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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1EYT
 | | CRYSTAL STRUCTURE OF HIGH-POTENTIAL IRON-SULFUR PROTEIN FROM THERMOCHROMATIUM TEPIDUM | | Descriptor: | HIGH-POTENTIAL IRON-SULFUR PROTEIN, IRON/SULFUR CLUSTER | | Authors: | Nogi, T, Fathir, I, Kobayashi, M, Nozawa, T, Miki, K. | | Deposit date: | 2000-05-08 | | Release date: | 2000-12-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of photosynthetic reaction center and high-potential iron-sulfur protein from Thermochromatium tepidum: thermostability and electron transfer.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1W15
 | | rat synaptotagmin 4 C2B domain in the presence of calcium | | Descriptor: | CALCIUM ION, CHLORIDE ION, SODIUM ION, ... | | Authors: | Dai, H, Shin, O.-H, Machius, M, Tomchick, D.R, Sudhof, T.C, Rizo, J. | | Deposit date: | 2004-06-16 | | Release date: | 2004-08-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural Basis for the Evolutionary Inactivation of Ca2+ Binding to Synaptotagmin 4
Nat.Struct.Mol.Biol., 11, 2004
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1W16
 | | rat synaptotagmin 4 C2B domain in the absence of calcium | | Descriptor: | CHLORIDE ION, SODIUM ION, SYNAPTOTAGMIN IV | | Authors: | Dai, H, Shin, O.-H, Machius, M, Tomchick, D.R, Sudhof, T.C, Rizo, J. | | Deposit date: | 2004-06-16 | | Release date: | 2004-08-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for the Evolutionary Inactivation of Ca2+ Binding to Synaptotagmin 4
Nat.Struct.Mol.Biol., 11, 2004
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3PCG
 | | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH THE INHIBITOR 4-HYDROXYPHENYLACETATE | | Descriptor: | 4-HYDROXYPHENYLACETATE, BETA-MERCAPTOETHANOL, FE (III) ION, ... | | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | | Deposit date: | 1997-04-29 | | Release date: | 1998-04-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site.
Biochemistry, 36, 1997
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3PCE
 | | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-HYDROXYPHENYLACETATE | | Descriptor: | 3-HYDROXYPHENYLACETATE, BETA-MERCAPTOETHANOL, FE (III) ION, ... | | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | | Deposit date: | 1997-04-29 | | Release date: | 1998-04-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site.
Biochemistry, 36, 1997
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3PCC
 | | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 4-HYDROXYBENZOATE | | Descriptor: | BETA-MERCAPTOETHANOL, FE (III) ION, P-HYDROXYBENZOIC ACID, ... | | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | | Deposit date: | 1997-04-29 | | Release date: | 1998-04-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site.
Biochemistry, 36, 1997
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3PCO
 | | crystal structure of E. coli phenylalanine-tRNA synthetase complexed with phenylalanine and AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, PHENYLALANINE, Phenylalanyl-tRNA synthetase, ... | | Authors: | Mermershtain, I, Finarov, I, Klipcan, L, Kessler, N, Rozenberg, H, Safro, M.G. | | Deposit date: | 2010-10-21 | | Release date: | 2011-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Idiosyncrasy and identity in the prokaryotic phe-system: crystal structure of E. coli phenylalanyl-tRNA synthetase complexed with phenylalanine and AMP.
Protein Sci., 20, 2011
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3PWB
 | | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2010-12-08 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.63 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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3Q0G
 | | Crystal Structure of the Mycobacterium tuberculosis Crotonase Bound to a Reaction Intermediate Derived from Crotonyl CoA | | Descriptor: | Butyryl Coenzyme A, COENZYME A, GLYCEROL, ... | | Authors: | Bruning, J.B, Delgado, E, Ghosh, S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2010-12-15 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal Structure of the Prokaryotic Crotonase
To be Published
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4MUO
 | | The TrpD2 enzyme from E.coli: YbiB | | Descriptor: | Uncharacterized protein YbiB | | Authors: | Stutz, C, Mayans, O. | | Deposit date: | 2013-09-23 | | Release date: | 2015-03-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | YbiB from Escherichia coli, the Defining Member of the Novel TrpD2 Family of Prokaryotic DNA-binding Proteins.
J.Biol.Chem., 290, 2015
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1CTZ
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4PF9
 | | Crystal structure of insulin degrading enzyme complexed with inhibitor | | Descriptor: | Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate | | Authors: | Wang, Y, Guo, S. | | Deposit date: | 2014-04-28 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
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3QO8
 | | Crystal Structure of seryl-tRNA synthetase from Candida albicans | | Descriptor: | 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, MAGNESIUM ION, Seryl-tRNA synthetase, ... | | Authors: | Rocha, R, Santos, M.A, Pereira, P.J.B, Macedo-Ribeiro, S. | | Deposit date: | 2011-02-09 | | Release date: | 2011-08-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Unveiling the structural basis for translational ambiguity tolerance in a human fungal pathogen.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3QO7
 | | Crystal structure of the seryl-tRNA synthetase from Candida albicans | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Seryl-tRNA synthetase, cytoplasmic | | Authors: | Rocha, R, Santos, M.A, Pereira, P.J.B, Macedo-Ribeiro, S. | | Deposit date: | 2011-02-09 | | Release date: | 2011-08-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Unveiling the structural basis for translational ambiguity tolerance in a human fungal pathogen.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4NE9
 | | PCSK9 in complex with LDLR peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Low-density lipoprotein receptor, ... | | Authors: | Liu, S. | | Deposit date: | 2013-10-28 | | Release date: | 2014-09-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design and synthesis of truncated EGF-A peptides that restore LDL-R recycling in the presence of PCSK9 in vitro.
Chem.Biol., 21, 2014
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4NFU
 | | Structure of the central plant immunity signaling node EDS1 in complex with its interaction partner SAG101 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, EDS1, ISOPROPYL ALCOHOL, ... | | Authors: | Wagner, S, Stuttmann, J, Rietz, S, Guerois, R, Niefind, K, Parker, J.E. | | Deposit date: | 2013-11-01 | | Release date: | 2013-12-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural Basis for Signaling by Exclusive EDS1 Heteromeric Complexes with SAG101 or PAD4 in Plant Innate Immunity.
Cell Host Microbe, 14, 2013
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4OJF
 | | Humanised 3D6 Fab complexed to amyloid beta 1-8 | | Descriptor: | Amyloid beta A4 protein, Humanised 3D6 Fab Heavy Chain, Humanised 3D6 Fab Light Chain | | Authors: | Miles, L.A, Crespi, G.A.N, Parker, M.W. | | Deposit date: | 2014-01-21 | | Release date: | 2015-01-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Crystallization and preliminary X-ray diffraction analysis of the Fab portion of the Alzheimer's disease immunotherapy candidate bapineuzumab complexed with amyloid-beta
ACTA CRYSTALLOGR.,SECT.F, 70, 2014
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3NTN
 | | Crystal Structure of UspA1 head and neck domain from Moraxella catarrhalis | | Descriptor: | CHLORIDE ION, NICKEL (II) ION, SULFATE ION, ... | | Authors: | Conners, R, Zaccai, N, Agnew, C, Burton, N, Brady, R.L. | | Deposit date: | 2010-07-05 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Correlation of in situ mechanosensitive responses of the Moraxella catarrhalis adhesin UspA1 with fibronectin and receptor CEACAM1 binding.
Proc.Natl.Acad.Sci.USA, 108, 2011
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