1Y3B
 
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 E60S mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | Deposit date: | 2004-11-24 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
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1Y48
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R65A mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | Deposit date: | 2004-11-30 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
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4GWN
 | | Crystal structure of human mature meprin beta | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Arolas, J.L, Broder, C, Jefferson, T, Guevara, T, Sterchi, E.E, Bode, W, Stocker, W, Becker-Pauly, C, Gomis-Ruth, F.X. | | Deposit date: | 2012-09-03 | | Release date: | 2012-09-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for the sheddase function of human meprin beta metalloproteinase at the plasma membrane
Proc.Natl.Acad.Sci.USA, 109, 2012
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1YF1
 | | Structural and biochemical analysis of the link between enzymatic activity and oligomerization in AhpC, a bacterial peroxiredoxin. | | Descriptor: | Alkyl hydroperoxide reductase subunit C, SODIUM ION | | Authors: | Parsonage, D, Youngblood, D.S, Sarma, G.N, Wood, Z.A, Karplus, P.A, Poole, L.B. | | Deposit date: | 2004-12-29 | | Release date: | 2005-08-16 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Analysis of the Link between Enzymatic Activity and Oligomeric State in AhpC, a Bacterial Peroxiredoxin.
Biochemistry, 44, 2005
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2C8W
 | | thrombin inhibitors | | Descriptor: | (2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-1H-TETRAZOL-1-YL)BENZYL]-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-1-PHENYLBUTA N-2-AMINIUM, HIRUDIN VARIANT-2, SODIUM ION, ... | | Authors: | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | | Deposit date: | 2005-12-08 | | Release date: | 2006-07-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
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4PK0
 | | CRYSTAL STRUCTURE OF T4 LYSOZYME-PEPTIDE IN COMPLEX WITH TEICOPLANIN-A2-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, 8-METHYLNONANOIC ACID, ... | | Authors: | Han, S, Le, B.V, Hajare, H, Baxter, R.H.G, Miller, S.J. | | Deposit date: | 2014-05-13 | | Release date: | 2014-09-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray Crystal Structure of Teicoplanin A2-2 Bound to a Catalytic Peptide Sequence via the Carrier Protein Strategy.
J.Org.Chem., 79, 2014
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2BOK
 | | Factor Xa - cation | | Descriptor: | COAGULATION FACTOR X, SODIUM ION, [AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM | | Authors: | Morgenthaler, M, Schaerer, K, Paulini, R, Obst-Sander, U, Banner, D.W, Schlatter, D, Benz, J, Stihle, M, Diederich, F. | | Deposit date: | 2005-04-12 | | Release date: | 2005-06-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Quantification of Cation-Pi Interactions in Protein-Ligand Complexes: Crystal-Structure Analysis of Factor Xa Bound to a Quaternary Ammonium Ion Ligand
Angew.Chem.Int.Ed.Engl., 44, 2005
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4PSR
 | | Crystal Structure of alpha-L-fucosidase from Fusarium graminearum in the open form in complex with L-fucose | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-fucosidase GH29, ... | | Authors: | Cao, H, Walton, J, Brumm, P, Phillips Jr, G.N. | | Deposit date: | 2014-03-07 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structure and Substrate Specificity of a Eukaryotic Fucosidase from Fusarium graminearum.
J.Biol.Chem., 289, 2014
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4R48
 | | Racemic crystal structure of a calcium-bound DNA four-way junction | | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION, SODIUM ION | | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | Deposit date: | 2014-08-19 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
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1ZUN
 | | Crystal Structure of a GTP-Regulated ATP Sulfurylase Heterodimer from Pseudomonas syringae | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Mougous, J.D, Lee, D.H, Hubbard, S.C, Schelle, M.W, Vocadlo, D.J, Berger, J.M, Bertozzi, C.R. | | Deposit date: | 2005-05-31 | | Release date: | 2006-01-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular basis for g protein control of the prokaryotic ATP sulfurylase.
Mol.Cell, 21, 2006
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2CCB
 | | Complexes of Dodecin with Flavin and Flavin-like Ligands | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, RIBOFLAVIN, ... | | Authors: | Grininger, M, Zeth, K, Oesterhelt, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-01-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Dodecins: A Family of Lumichrome Binding Proteins.
J.Mol.Biol., 357, 2006
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2CIF
 | | Complexes of Dodecin with Flavin and Flavin-like Ligands | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Grininger, M, Seiler, F, Zeth, K, Oesterhelt, D. | | Deposit date: | 2006-03-20 | | Release date: | 2006-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Dodecin Sequesters Fad in Closed Conformation from the Aqueous Solution.
J.Mol.Biol., 364, 2006
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2CL4
 | | Ascorbate Peroxidase R172A mutant | | Descriptor: | ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | | Authors: | Ghamsari, L, MacDonald, I.K, Moody, P.C.E. | | Deposit date: | 2006-04-25 | | Release date: | 2006-06-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Interaction of Ascorbate Peroxidase with Substrates: A Mechanistic and Structural Analysis.
Biochemistry, 45, 2006
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1Y33
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 T58P mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | Deposit date: | 2004-11-23 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
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2CD7
 | | Staphylococcus aureus pI258 arsenate reductase (ArsC) H62Q mutant | | Descriptor: | PROTEIN ARSC, SODIUM ION | | Authors: | Buts, L, Roos, G, Van Belle, K, Brosens, E, Loris, R, Wyns, L, Messens, J. | | Deposit date: | 2006-01-23 | | Release date: | 2006-06-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Interplay between Ion Binding and Catalysis in the Thioredoxin-Coupled Arsenate Reductase Family.
J.Mol.Biol., 360, 2006
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2CFK
 | | AGAO in complex with wc5 (Ru-wire inhibitor, 5-carbon linker) | | Descriptor: | COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ... | | Authors: | Langley, D.B, Duff, A.P, Freeman, H.C, Guss, J.M, Juda, G.A, Dooley, D.M, Contakes, S.M, Halpern-Manners, N.W, Dunn, A.R, Gray, H.B. | | Deposit date: | 2006-02-21 | | Release date: | 2007-05-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Enantiomer-specific binding of ruthenium(II) molecular wires by the amine oxidase of Arthrobacter globiformis.
J. Am. Chem. Soc., 130, 2008
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4GAF
 | | Crystal structure of EBI-005, a chimera of human IL-1beta and IL-1Ra, bound to human Interleukin-1 receptor type 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EBI-005, Interleukin-1 receptor type 1, ... | | Authors: | Hou, J, Townson, S.A, Kovalchin, J.T, Masci, A, Kiner, O, Shu, Y, King, B, Thomas, C, Garcia, K.C, Furfine, E.S, Barnes, T.M. | | Deposit date: | 2012-07-25 | | Release date: | 2013-02-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Design of a superior cytokine antagonist for topical ophthalmic use.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1Y34
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 E60A mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | Deposit date: | 2004-11-23 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
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2D6B
 | | Novel Bromate Species trapped within a Protein Crystal | | Descriptor: | BROMIC ACID, CHLORIDE ION, SODIUM ION, ... | | Authors: | Ondracek, J, Mesters, J.R. | | Deposit date: | 2005-11-10 | | Release date: | 2005-11-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | An ensemble of crystallographic models enables the description of novel bromate-oxoanion species trapped within a protein crystal
Acta Crystallogr.,Sect.D, 62, 2006
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1Y4A
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59R/E60S mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | Deposit date: | 2004-11-30 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
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1YIL
 | | Structure of Hen egg white lysozyme soaked with Cu2-Xylylbicyclam | | Descriptor: | 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZA-CYCLOTETRADECANE]CU(II)2, CHLORIDE ION, Lysozyme C, ... | | Authors: | Hunter, T.M, McNae, I.W, Liang, X, Bella, J, Parsons, S, Walkinshaw, M.D, Sadler, P.J. | | Deposit date: | 2005-01-12 | | Release date: | 2005-02-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Protein recognition of macrocycles: binding of anti-HIV metallocyclams to lysozyme
Proc.Natl.Acad.Sci.Usa, 102, 2005
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4P30
 | | Structure of NavMS mutant in presence of PI1 compound | | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | | Authors: | Bagneris, C, Naylor, C.E, Wallace, B.A. | | Deposit date: | 2014-03-05 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4PA6
 | | Structure of NavMS pore and C-terminal domain crystallised in the presence of channel blocking compound | | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | | Deposit date: | 2014-04-07 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4P2Z
 | | Structure of NavMS T207A/F214A | | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | | Authors: | Bagneris, C, Naylor, C.E, Wallace, B.A. | | Deposit date: | 2014-03-05 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4P4W
 | | Dodecamer formed by a macrocyclic peptide derived from beta-2-microglobulin (63-69) - (ORN)YLL(PHI)YTE(ORN)KVA(MVA)AVK | | Descriptor: | CHLORIDE ION, CYCLIC HEXADECAPEPTIDE (ORN)YLL(PHI)YTE(ORN)KVA(MVA)AVK, SODIUM ION, ... | | Authors: | Spencer, R.K, Kreutzer, A, Nowick, J.S. | | Deposit date: | 2014-03-13 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
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