4IY4
 
 | | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4 | | Descriptor: | Metal transporter CNNM2 | | Authors: | Corral-Rodriguez, M.A, Stuiver, M, Encinar, J.A, Spiwok, V, Gomez-Garcia, I, Oyenarte, I, Ereno-Orbea, J, Terashima, H, Accardi, A, Diercks, T, Muller, D, Martinez-Cruz, L.A. | | Deposit date: | 2013-01-28 | | Release date: | 2014-03-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
To be Published
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1YW2
 | | Mutated Mus Musculus P38 Kinase (mP38) | | Descriptor: | 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE, Mitogen-activated protein kinase 14 | | Authors: | Laughlin, S.K, Clark, M.P, Djung, J.F, Golebiowski, A, Brugel, T.A, Sabat, M, Bookland, R.G, Laufersweiler, M.J, Vanrens, J.C, Townes, J.A, De, B, Hsieh, L.C, Xu, S.C, Walter, R.L, Mekel, M.J, Janusz, M.J. | | Deposit date: | 2005-02-16 | | Release date: | 2005-05-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The development of new isoxazolone based inhibitors of tumor necrosis factor-alpha (TNF-alpha) production.
Bioorg.Med.Chem.Lett., 15, 2005
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4IZG
 | | Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound cis-4oh-d-proline betaine (product) | | Descriptor: | (2S,4S)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium, IODIDE ION, MAGNESIUM ION, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, LaFleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-01-29 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine.
MBio, 5, 2014
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1ZGP
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1ZI4
 | | Crystal Structure of Human N-acetylgalactosaminyltransferase (GTA) Complexed with H type II Trisaccharide | | Descriptor: | CHLORIDE ION, Histo-blood group ABO system transferase (NAGAT) Includes: Glycoprotein-fucosylgalactoside alpha-N- acetylgalactosaminyltransferase, MERCURY (II) ION, ... | | Authors: | Letts, J.A, Rose, N.L, Fang, Y.R, Barry, C.H, Borisova, S.N, Seto, N.O, Palcic, M.M, Evans, S.V. | | Deposit date: | 2005-04-26 | | Release date: | 2005-12-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Differential Recognition of the Type I and II H Antigen Acceptors by the Human ABO(H) Blood Group A and B Glycosyltransferases.
J.Biol.Chem., 281, 2006
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1XXV
 | | Yersinia YopH (residues 163-468) binds phosphonodifluoromethyl-Phe containing hexapeptide at two sites | | Descriptor: | Epidermal growth factor receptor derived peptide, Protein-tyrosine phosphatase yopH | | Authors: | Ivanov, M.I, Stuckey, J.A, Schubert, H.L, Saper, M.A, Bliska, J.B. | | Deposit date: | 2004-11-08 | | Release date: | 2005-03-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Two substrate-targeting sites in the Yersinia protein tyrosine phosphatase co-operate to promote bacterial virulence
Mol.Microbiol., 55, 2005
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4J9X
 | | Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with trans-4-hydroxy-l-proline | | Descriptor: | 4-HYDROXYPROLINE, Proline racemase family protein, SODIUM ION | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-02-17 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with trans-4-hydroxy-l-proline
To be Published
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1XUQ
 | | Crystal Structure of SodA-1 (BA4499) from Bacillus anthracis at 1.8A Resolution. | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase | | Authors: | Boucher, I.W, Levdikov, V.M, Blagova, E.V, Fogg, M.J, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S. | | Deposit date: | 2004-10-26 | | Release date: | 2005-07-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of two superoxide dismutases from Bacillus anthracis reveal a novel active centre.
Acta Crystallogr.,Sect.F, 61, 2005
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4JQZ
 | | Human procaspase-3, crystal form 2 | | Descriptor: | Procaspase-3 | | Authors: | Thomsen, N.D, Wells, J.A. | | Deposit date: | 2013-03-20 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.889 Å) | | Cite: | Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4JDP
 | | Crystal structure of probable p-nitrophenyl phosphatase (pho2) (target EFI-501307) from Archaeoglobus fulgidus DSM 4304 with Magnesium bound | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, p-nitrophenyl phosphatase (Pho2) | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Allen, K.N, Dunaway-Mariano, D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-02-25 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal structure of probable p-nitrophenyl phosphatase from Archaeoglobus fulgidus.
To be Published
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4JFX
 | | Structure of phosphotyrosine (pTyr) scaffold bound to pTyr peptide | | Descriptor: | Fab heavy chain, Fab light chain, Phosphopeptide, ... | | Authors: | Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A. | | Deposit date: | 2013-02-28 | | Release date: | 2013-09-25 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
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1XMN
 | | Crystal structure of thrombin bound to heparin | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ... | | Authors: | Carter, W.J, Cama, E, Huntington, J.A. | | Deposit date: | 2004-10-04 | | Release date: | 2004-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of thrombin bound to heparin
J.Biol.Chem., 280, 2005
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1A1V
 | | HEPATITIS C VIRUS NS3 HELICASE DOMAIN COMPLEXED WITH SINGLE STRANDED SDNA | | Descriptor: | DNA (5'-D(*UP*UP*UP*UP*UP*UP*UP*U)-3'), PROTEIN (NS3 PROTEIN), SULFATE ION | | Authors: | Kim, J.L, Morgenstern, K.A, Griffith, J.P, Dwyer, M.D, Thomson, J.A, Murcko, M.A, Lin, C, Caron, P.R. | | Deposit date: | 1997-12-17 | | Release date: | 1999-01-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Hepatitis C virus NS3 RNA helicase domain with a bound oligonucleotide: the crystal structure provides insights into the mode of unwinding.
Structure, 6, 1998
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1YO0
 | | Proton Transfer from His200 in Human Carbonic Anhydrase II | | Descriptor: | CHLORIDE ION, Carbonic anhydrase II, ZINC ION | | Authors: | Bhatt, D, Tu, C, Fisher, S.Z, Hernandez Prada, J.A, McKenna, R, Silverman, D.N. | | Deposit date: | 2005-01-26 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Proton transfer in a Thr200His mutant of human carbonic anhydrase II
Proteins, 61, 2005
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4GXW
 | | Crystal structure of a cog1816 amidohydrolase (target EFI-505188) from Burkhoderia ambifaria, with bound Zn | | Descriptor: | Adenosine deaminase, CHLORIDE ION, ZINC ION | | Authors: | Vetting, M.W, Goble, A.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-09-04 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of a cog1816 amidohydrolase (target EFI-505188) from Burkhoderia ambifaria, with bound Zn
To be Published
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1YOK
 | | crystal structure of human LRH-1 bound with TIF-2 peptide and phosphatidylglycerol | | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Nuclear receptor coactivator 2, Orphan nuclear receptor NR5A2 | | Authors: | Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, MacKay, J.A, Juzumiene, D, Bynum, J.M, Madauss, K, Montana, V, Lebedeva, L, Suzawa, M, Williams, J.D, Williams, S.P, Guy, R.K, Thornton, J.W, Fletterick, R.J, Willson, T.M, Ingraham, H.A. | | Deposit date: | 2005-01-27 | | Release date: | 2005-07-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1.
Cell(Cambridge,Mass.), 120, 2005
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192D
 | | RECOMBINATION-LIKE STRUCTURE OF D(CCGCGG) | | Descriptor: | DNA (5'-D(*CP*CP*GP*CP*GP*G)-3'), SODIUM ION | | Authors: | Malinina, L, Urpi, L, Salas, X, Huynh-Dinh, T, Subirana, J.A. | | Deposit date: | 1994-09-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Recombination-like structure of d(CCGCGG).
J.Mol.Biol., 243, 1994
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4GU7
 | | Crystal structure of DyP-type peroxidase (SCO7193) from Streptomyces coelicolor | | Descriptor: | NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, Putative uncharacterized protein SCO7193 | | Authors: | Lukk, T, Hetta, A.M.A, Jones, A, Solbiati, J, Majumdar, S, Cronan, J.E, Gerlt, J.A, Nair, S.K. | | Deposit date: | 2012-08-29 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | DyP-type peroxidases from Stretptomyces and Thermobifida can modify organosolv lignin.
To be Published
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1YU4
 | | Major Tropism Determinant U1 Variant | | Descriptor: | MAGNESIUM ION, Major Tropism Determinant (Mtd-U1) | | Authors: | McMahon, S.A, Miller, J.L, Lawton, J.A, Ghosh, P. | | Deposit date: | 2005-02-11 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | The C-type lectin fold as an evolutionary solution for massive sequence variation
Nat.Struct.Mol.Biol., 12, 2005
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1AD8
 | | COMPLEX OF THROMBIN WITH AND INHIBITOR CONTAINING A NOVEL P1 MOIETY | | Descriptor: | HIRUDIN (53-65) PEPTIDE, SODIUM ION, THROMBIN (LARGE SUBUNIT), ... | | Authors: | Schreuder, H, Tardif, C, Malikayil, J.A. | | Deposit date: | 1997-02-24 | | Release date: | 1997-11-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular design and characterization of an alpha-thrombin inhibitor containing a novel P1 moiety.
Biochemistry, 36, 1997
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1YQV
 | | The crystal structure of the antibody Fab HyHEL5 complex with lysozyme at 1.7A resolution | | Descriptor: | Hen Egg White Lysozyme, HyHEL-5 Antibody Heavy Chain, HyHEL-5 Antibody Light Chain | | Authors: | Cohen, G.H, Silverton, E.W, Padlan, E.A, Dyda, F, Wibbenmeyer, J.A, Wilson, R.C, Davies, D.R. | | Deposit date: | 2005-02-02 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Water molecules in the antibody-antigen interface of the structure of the Fab HyHEL-5-lysozyme complex at 1.7 A resolution: comparison with results from isothermal titration calorimetry.
Acta Crystallogr.,Sect.D, 61, 2005
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4HD0
 | | Mre11 ATLD17/18 mutation retains Tel1/ATM activity but blocks DNA double-strand break repair | | Descriptor: | DNA double-strand break repair protein Mre11, MANGANESE (II) ION | | Authors: | Limbo, O, Moiani, D, Kertokalio, A, Wyman, C, Tainer, J.A, Russell, P. | | Deposit date: | 2012-10-01 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mre11 ATLD17/18 mutation retains Tel1/ATM activity but blocks DNA double-strand break repair.
Nucleic Acids Res., 40, 2012
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1BN7
 | | HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES | | Descriptor: | ACETATE ION, HALOALKANE DEHALOGENASE | | Authors: | Newman, J, Peat, T.S, Richard, R, Kan, L, Swanson, P.E, Affholter, J.A, Holmes, I.H, Schindler, J.F, Unkefer, C.J, Terwilliger, T.C. | | Deposit date: | 1998-07-31 | | Release date: | 2000-02-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Haloalkane dehalogenases: structure of a Rhodococcus enzyme.
Biochemistry, 38, 1999
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2A3A
 | | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with theophylline | | Descriptor: | SULFATE ION, THEOPHYLLINE, chitinase | | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | | Deposit date: | 2005-06-24 | | Release date: | 2005-09-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
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4JR1
 | | Human procaspase-7 bound to Ac-DEVD-CMK | | Descriptor: | Ac-DEVD-CMK, CHLORIDE ION, Procaspase-7 | | Authors: | Thomsen, N.D, Wells, J.A. | | Deposit date: | 2013-03-20 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.149 Å) | | Cite: | Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
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