6EHK
 
 | | The crystal structure of CK2alpha in complex with CAM4712 and compound 37 | | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine, 2-hydroxy-5-methylbenzoic acid, ACETATE ION, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-09-13 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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6EHU
 | | The crystal structure of CK2alpha in complex with compound 32 | | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-09-15 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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1WO7
 | | Solution structure of Designed Functional Finger 7 (DFF7): Designed mutant based on non-native CHANCE domain | | Descriptor: | CREB Binding Protein, ZINC ION | | Authors: | Sharpe, B.K, Liew, C.K, Wilce, J.A, Crossley, M, Matthews, J.M, Mackay, J.P. | | Deposit date: | 2004-08-12 | | Release date: | 2005-03-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Assessment of the robustness of a serendipitous zinc binding fold: mutagenesis and protein grafting
Structure, 13, 2005
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1SRK
 | | Solution structure of the third zinc finger domain of FOG-1 | | Descriptor: | ZINC ION, Zinc finger protein ZFPM1 | | Authors: | Simpson, R.J.Y, Lee, S.H.Y, Bartle, N, Matthews, J.M, Mackay, J.P, Crossley, M. | | Deposit date: | 2004-03-22 | | Release date: | 2004-09-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A Classic Zinc Finger from Friend of GATA Mediates an Interaction with the Coiled-coil of Transforming Acidic Coiled-coil 3.
J.Biol.Chem., 279, 2004
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1MM2
 | | Solution structure of the 2nd PHD domain from Mi2b | | Descriptor: | Mi2-beta, ZINC ION | | Authors: | Kwan, A.H.Y, Gell, D.A, Verger, A, Crossley, M, Matthews, J.M, Mackay, J.P. | | Deposit date: | 2002-09-02 | | Release date: | 2003-07-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Engineering a Protein Scaffold from a PHD Finger
structure, 11, 2003
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1Y0J
 | | Zinc fingers as protein recognition motifs: structural basis for the GATA-1/Friend of GATA interaction | | Descriptor: | Erythroid transcription factor, ZINC ION, Zinc-finger protein ush | | Authors: | Liew, C.K, Simpson, R.J.Y, Kwan, A.H.Y, Crofts, L.A, Loughlin, F.E, Matthews, J.M, Crossley, M, Mackay, J.P. | | Deposit date: | 2004-11-15 | | Release date: | 2005-01-25 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Zinc fingers as protein recognition motifs: Structural basis for the GATA-1/Friend of GATA interaction
Proc.Natl.Acad.Sci.Usa, 102, 2005
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4QXU
 | | Novel Inhibition Mechanism of Membrane Metalloprotease by an Exosite-Swiveling Conformational antibody | | Descriptor: | Matrix metalloproteinase-14, SULFATE ION, anti_MT1-MMP Heavy chain, ... | | Authors: | Udi, Y, Grossman, M, Solomonov, I, Dym, O, Rozenberg, H, Moreno, v, Cuiniasse, P, Dive, V, Arroyo, A.G, Sagi, I, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2014-07-22 | | Release date: | 2014-12-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody.
Structure, 23, 2015
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3DTX
 | | Crystal structure of HLA-B*2705 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408) | | Descriptor: | Beta-2-microglobulin, Double citrullinated vasoactive intestinal polypeptide receptor, MHC class I antigen (Fragment) | | Authors: | Beltrami, A, Gabdulkhakov, A, Rossmann, M, Ziegler, A, Uchanska-Ziegler, B, Saenger, W. | | Deposit date: | 2008-07-16 | | Release date: | 2009-05-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Citrullination-and mhc polymorphism-dependent conformational changes of a self peptide
To be Published
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1ORJ
 | | FLAGELLAR EXPORT CHAPERONE | | Descriptor: | flagellar protein FliS | | Authors: | Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S. | | Deposit date: | 2003-03-13 | | Release date: | 2003-09-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion
Nat.Struct.Biol., 10, 2003
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1P7A
 | | Solution Structure of the Third Zinc Finger from BKLF | | Descriptor: | Kruppel-like factor 3, ZINC ION | | Authors: | Simpson, R.J.Y, Cram, E.D, Czolij, R, Matthews, J.M, Crossley, M, Mackay, J.P. | | Deposit date: | 2003-04-30 | | Release date: | 2003-12-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | CCHX zinc finger derivatives retain the ability to bind Zn(II) and mediate protein-DNA interactions.
J.Biol.Chem., 278, 2003
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1D5N
 | | CRYSTAL STRUCTURE OF E. COLI MNSOD AT 100K | | Descriptor: | MANGANESE (II) ION, PROTEIN (MANGANESE SUPEROXIDE DISMUTASE) | | Authors: | Borgstahl, G.E.O, Pokross, M, Chehab, R, Sekher, A, Snell, E.H. | | Deposit date: | 1999-10-08 | | Release date: | 2000-03-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Cryo-trapping the six-coordinate, distorted-octahedral active site of manganese superoxide dismutase.
J.Mol.Biol., 296, 2000
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1WO3
 | | Solution structure of Minimal Mutant 1 (MM1): Multiple alanine mutant of non-native CHANCE domain | | Descriptor: | CREB Binding Protein, ZINC ION | | Authors: | Sharpe, B.K, Liew, C.K, Wilce, J.A, Crossley, M, Matthews, J.M, Mackay, J.P. | | Deposit date: | 2004-08-12 | | Release date: | 2005-03-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Assessment of the robustness of a serendipitous zinc binding fold: mutagenesis and protein grafting
Structure, 13, 2005
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3HCV
 | | Crystal structure of HLA-B*2709 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408) | | Descriptor: | Beta-2-microglobulin, DOUBLE CITRULLINATED VASOACTIVE INTESTINAL POLYPEPTIDE RECEPTOR, HLA class I histocompatibility antigen, ... | | Authors: | Beltrami, A, Gabdulkhakov, A, Rossmann, M, Ziegler, A, Uchanska-Ziegler, B, Saenger, W. | | Deposit date: | 2009-05-06 | | Release date: | 2009-06-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Citrullination-and mhc polymorphism-dependent conformational changes of
a self peptide
To be Published
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6F7U
 | | Molecular Mechanism of ATP versus GTP Selectivity of Adenylate Kinase | | Descriptor: | Adenylate kinase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Authors: | Rogne, P, Rosselin, M, Grundstrom, C, Hedberg, C, Wolf-Watz, M, Sauer, U.H. | | Deposit date: | 2017-12-12 | | Release date: | 2018-03-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular mechanism of ATP versus GTP selectivity of adenylate kinase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3U51
 | | Src in complex with DNA-templated macrocyclic inhibitor MC1 | | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, macrocyclic inhibitor MC1 | | Authors: | Seeliger, M.A, Liu, D.R, Georghiou, G, Kleiner, R.E, Pulkoski-Gross, M. | | Deposit date: | 2011-10-10 | | Release date: | 2012-02-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.241 Å) | | Cite: | Highly specific, bisubstrate-competitive Src inhibitors from DNA-templated macrocycles.
Nat.Chem.Biol., 8, 2012
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3U4W
 | | Src in complex with DNA-templated macrocyclic inhibitor MC4b | | Descriptor: | GLYCEROL, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ... | | Authors: | Seeliger, M.A, Liu, D.R, Georghiou, G, Kleiner, R.E, Pulkoski-Gross, M. | | Deposit date: | 2011-10-10 | | Release date: | 2012-02-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Highly specific, bisubstrate-competitive Src inhibitors from DNA-templated macrocycles.
Nat.Chem.Biol., 8, 2012
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2HC2
 | | Engineered protein tyrosine phosphatase beta catalytic domain | | Descriptor: | MAGNESIUM ION, Receptor-type tyrosine-protein phosphatase beta, SODIUM ION | | Authors: | Evdokimov, A.G, Pokross, M, Walter, R, Mekel, M. | | Deposit date: | 2006-06-15 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
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2HC1
 | | Engineered catalytic domain of protein tyrosine phosphatase HPTPbeta. | | Descriptor: | ACETATE ION, CHLORIDE ION, Receptor-type tyrosine-protein phosphatase beta | | Authors: | Evdokimov, A.G, Pokross, M, Walter, R, Mekel, M. | | Deposit date: | 2006-06-14 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
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2HU2
 | | CTBP/BARS in ternary complex with NAD(H) and RRTGAPPAL peptide | | Descriptor: | 9-mer peptide from Zinc finger protein 217, C-terminal-binding protein 1, FORMIC ACID, ... | | Authors: | Nardini, M, Bolognesi, M, Quinlan, K.G.R, Verger, A, Francescato, P, Crossley, M. | | Deposit date: | 2006-07-26 | | Release date: | 2006-10-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Specific Recognition of ZNF217 and Other Zinc Finger Proteins at a Surface Groove of C-Terminal Binding Proteins
Mol.Cell.Biol., 26, 2006
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3I4C
 | | Crystal structure of Sulfolobus Solfataricus ADH(SsADH) double mutant (W95L,N249Y) | | Descriptor: | NAD-dependent alcohol dehydrogenase, ZINC ION | | Authors: | Esposito, L, Pennacchio, A, Zagari, A, Rossi, M, Raia, C.A. | | Deposit date: | 2009-07-01 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Role of Tryptophan 95 in substrate specificity and structural stability of Sulfolobus solfataricus alcohol dehydrogenase
Extremophiles, 13, 2009
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3S4J
 | | Human FDPS Synthase in Complex with a Rigid Analog of Risedronate | | Descriptor: | 6,7-dihydro-5H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid), Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Evdokimov, A.G, Barnett, B.L, Ebetino, F.H, Pokross, M. | | Deposit date: | 2011-05-19 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Human FDPS Synthase in Complex with a Rigid Analog of Risedronate
To be Published
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3RYE
 | | Human FDPS Synthase in Complex with a N-Methyl Pyridinum Bisphosphonate | | Descriptor: | 3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Evdokimov, A.G, Barnett, B.L, Ebetino, F.H, Pokross, M. | | Deposit date: | 2011-05-11 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human FDPS Synthase in Complex with a N-Methyl Pyridinum Bisphosphonate
To be Published
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1LIQ
 | | Non-native Solution Structure of a fragment of the CH1 domain of CBP | | Descriptor: | CREB Binding Protein, ZINC ION | | Authors: | Sharpe, B.K, Matthews, J.M, Kwan, A.H.Y, Newton, A, Gell, D.A, Crossley, M, Mackay, J.P. | | Deposit date: | 2002-04-18 | | Release date: | 2002-05-29 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | A New Zinc Binding Fold Underlines the Versatility of Zinc Binding Modules in Protein Evolution
Structure, 10, 2002
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2OPX
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1MM3
 | | Solution structure of the 2nd PHD domain from Mi2b with C-terminal loop replaced by corresponding loop from WSTF | | Descriptor: | Mi2-beta(Chromodomain helicase-DNA-binding protein 4) and transcription factor WSTF, ZINC ION | | Authors: | Kwan, A.H.Y, Gell, D.A, Verger, A, Crossley, M, Matthews, J.M, Mackay, J.P. | | Deposit date: | 2002-09-02 | | Release date: | 2003-07-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Engineering a Protein Scaffold from a PHD Finger
structure, 11, 2003
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