1ZR0
 
 | | Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin | | Descriptor: | CALCIUM ION, Cationic trypsin, Tissue factor pathway inhibitor 2 | | Authors: | Schmidt, A.E, Chand, H.S, Cascio, D, Kisiel, W, Bajaj, S.P. | | Deposit date: | 2005-05-18 | | Release date: | 2005-06-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Crystal structure of Kunitz domain 1 (KD1) of tissue factor pathway inhibitor-2 in complex with trypsin. Implications for KD1 specificity of inhibition
J.Biol.Chem., 280, 2005
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274D
 | | CRYSTAL STRUCTURE OF A COVALENT DNA-DRUG ADDUCT: ANTHRAMYCIN BOUND TO C-C-A-A-C-G-T-T-G-G, AND A MOLECULAR EXPLANATION OF SPECIFICITY | | Descriptor: | ANTHRAMYCIN, DNA (5'-D(*CP*CP*AP*AP*CP*GP*TP*TP*(DRUG)GP*G)-3') | | Authors: | Kopka, M.L, Goodsell, D.S, Baikalov, I, Grzeskowiak, K, Cascio, D, Dickerson, R.E. | | Deposit date: | 1994-04-28 | | Release date: | 1994-10-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a covalent DNA-drug adduct: anthramycin bound to C-C-A-A-C-G-T-T-G-G and a molecular explanation of specificity.
Biochemistry, 33, 1994
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5HS0
 | | Computationally Designed Cyclic Tetramer ank1C4_7 | | Descriptor: | Ankyrin domain protein ank1C4_7, GLYCEROL, SULFATE ION | | Authors: | McNamara, D.E, Cascio, D, Fallas, J.A, Baker, D, Yeates, T.O. | | Deposit date: | 2016-01-24 | | Release date: | 2017-04-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
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126D
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1A04
 | | THE STRUCTURE OF THE NITRATE/NITRITE RESPONSE REGULATOR PROTEIN NARL IN THE MONOCLINIC C2 CRYSTAL FORM | | Descriptor: | NITRATE/NITRITE RESPONSE REGULATOR PROTEIN NARL | | Authors: | Baikalov, I, Schroder, I, Kaczor-Grzeskowiak, M, Cascio, D, Gunsalus, R.P, Dickerson, R.E. | | Deposit date: | 1997-12-08 | | Release date: | 1998-03-18 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | NarL dimerization? Suggestive evidence from a new crystal form
Biochemistry, 37, 1998
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158D
 | | CRYSTALLOGRAPHIC ANALYSIS OF C-C-A-A-G-C-T-T-G-G AND ITS IMPLICATIONS FOR BENDING IN B-DNA | | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*GP*CP*TP*TP*GP*G)-3') | | Authors: | Grzeskowiak, K, Goodsell, D.S, Kaczor-Grzeskowiak, M, Cascio, D, Dickerson, R.E. | | Deposit date: | 1994-02-03 | | Release date: | 1994-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic analysis of C-C-A-A-G-C-T-T-G-G and its implications for bending in B-DNA.
Biochemistry, 32, 1993
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5KO0
 | | Human Islet Amyloid Polypeptide Segment 15-FLVHSSNNFGA-25 Determined by MicroED | | Descriptor: | THIOCYANATE ION, hIAPP(15-25)WT | | Authors: | Krotee, P.A.L, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Shi, D, Nannenga, B.L, Hattne, J, Reyes, F.E, Gonen, T, Eisenberg, D.S. | | Deposit date: | 2016-06-28 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.4 Å) | | Cite: | Atomic structures of fibrillar segments of hIAPP suggest tightly mated beta-sheets are important for cytotoxicity.
Elife, 6, 2017
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5KNZ
 | | Human Islet Amyloid Polypeptide Segment 19-SGNNFGAILSS-29 with Early Onset S20G Mutation Determined by MicroED | | Descriptor: | hIAPP(residues 19-29)S20G | | Authors: | Krotee, P.A.L, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Shi, D, Nannenga, B.L, Hattne, J, Reyes, F.E, Gonen, T, Eisenberg, D.S. | | Deposit date: | 2016-06-28 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.9 Å) | | Cite: | Atomic structures of fibrillar segments of hIAPP suggest tightly mated beta-sheets are important for cytotoxicity.
Elife, 6, 2017
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1D30
 | | THE STRUCTURE OF DAPI BOUND TO DNA | | Descriptor: | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Larsen, T, Goodsell, D.S, Cascio, D, Grzeskowiak, K, Dickerson, R.E. | | Deposit date: | 1991-01-04 | | Release date: | 1992-04-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structure of DAPI bound to DNA.
J.Biomol.Struct.Dyn., 7, 1989
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2OG0
 | | Crystal Structure of the Lambda Xis-DNA complex | | Descriptor: | 5'-D(*AP*AP*AP*CP*AP*GP*AP*CP*TP*AP*CP*AP*TP*AP*AP*TP*AP*C)-3', 5'-D(*GP*TP*AP*TP*TP*AP*TP*GP*TP*AP*GP*TP*CP*TP*GP*TP*TP*T)-3', Excisionase | | Authors: | Papagiannis, C.V, Sam, M.D, Abbani, M.A, Cascio, D, Yoo, D, Clubb, R.T, Johnson, R.C. | | Deposit date: | 2007-01-04 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fis targets assembly of the xis nucleoprotein filament to promote excisive recombination by phage lambda.
J.Mol.Biol., 367, 2007
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2OU8
 | | Structure of Spin-labeled T4 Lysozyme Mutant T115R1 at Room Temperature | | Descriptor: | BETA-MERCAPTOETHANOL, Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. | | Deposit date: | 2007-02-09 | | Release date: | 2007-06-12 | | Last modified: | 2023-08-30 | | Method: | EPR (1.8 Å), X-RAY DIFFRACTION | | Cite: | Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme.
Protein Sci., 16, 2007
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2OU9
 | | Structure of Spin-labeled T4 Lysozyme Mutant T115R1/R119A | | Descriptor: | Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. | | Deposit date: | 2007-02-09 | | Release date: | 2007-06-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme.
Protein Sci., 16, 2007
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2Q9D
 | | Structure of spin-labeled T4 lysozyme mutant A41R1 | | Descriptor: | BETA-MERCAPTOETHANOL, Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. | | Deposit date: | 2007-06-12 | | Release date: | 2007-06-26 | | Last modified: | 2023-08-30 | | Method: | EPR (1.4 Å), X-RAY DIFFRACTION | | Cite: | Structural determinants of nitroxide motion in spin-labeled proteins: Solvent-exposed sites in helix B of T4 lysozyme.
Protein Sci., 17, 2008
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2Q9E
 | | Structure of spin-labeled T4 lysozyme mutant S44R1 | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. | | Deposit date: | 2007-06-12 | | Release date: | 2007-06-26 | | Last modified: | 2023-08-30 | | Method: | EPR (2.1 Å), X-RAY DIFFRACTION | | Cite: | Structural determinants of nitroxide motion in spin-labeled proteins: Solvent-exposed sites in helix B of T4 lysozyme.
Protein Sci., 17, 2008
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2QVM
 | | The second Ca2+-binding domain of the Na+-Ca2+ exchanger is essential for regulation: crystal structures and mutational analysis | | Descriptor: | CALCIUM ION, Sodium/calcium exchanger 1 | | Authors: | Chaptal, V, Mercado Besserer, G, Abramson, J, Cascio, D. | | Deposit date: | 2007-08-08 | | Release date: | 2007-11-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.703 Å) | | Cite: | The second Ca2+-binding domain of the Na+ Ca2+ exchanger is essential for regulation: crystal structures and mutational analysis
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2QVK
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2RIF
 | | CBS domain protein PAE2072 from Pyrobaculum aerophilum complexed with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, CESIUM ION, Conserved protein with 2 CBS domains | | Authors: | Lee, T.M, King, N.P, Sawaya, M.R, Cascio, D, Yeates, T.O. | | Deposit date: | 2007-10-10 | | Release date: | 2008-06-17 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structures and Functional Implications of an AMP-Binding Cystathionine beta-Synthase Domain Protein from a Hyperthermophilic Archaeon.
J.Mol.Biol., 380, 2008
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2RIH
 | | CBS domain protein PAE2072 from Pyrobaculum aerophilum | | Descriptor: | ACETIC ACID, Conserved protein with 2 CBS domains, SULFATE ION | | Authors: | Lee, T.M, King, N.P, Sawaya, M.R, Cascio, D, Yeates, T.O. | | Deposit date: | 2007-10-10 | | Release date: | 2008-06-17 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures and Functional Implications of an AMP-Binding Cystathionine beta-Synthase Domain Protein from a Hyperthermophilic Archaeon
J.Mol.Biol., 380, 2008
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5K2H
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5K2E
 | | Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED | | Descriptor: | ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION | | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5K2F
 | | Structure of NNQQNY from yeast prion Sup35 with cadmium acetate determined by MicroED | | Descriptor: | ACETATE ION, CADMIUM ION, Eukaryotic peptide chain release factor GTP-binding subunit | | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8DOV
 | | Crystal structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in complex with Hemoglobin | | Descriptor: | GLYCEROL, Heme-binding protein Shr, Hemoglobin subunit alpha, ... | | Authors: | Macdonald, R, Mahoney, B.J, Cascio, D, Clubb, R.T. | | Deposit date: | 2022-07-14 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Shr receptor from Streptococcus pyogenes uses a cap and release mechanism to acquire heme-iron from human hemoglobin.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5K2G
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5WFG
 | | Crystal structure of the TarA wall teichoic acid glycosyltransferase bound to UDP | | Descriptor: | N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase, URIDINE-5'-DIPHOSPHATE | | Authors: | Kattke, M.D, Cascio, D, Sawaya, M.R, Clubb, R.T. | | Deposit date: | 2017-07-11 | | Release date: | 2019-01-16 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure and mechanism of TagA, a novel membrane-associated glycosyltransferase that produces wall teichoic acids in pathogenic bacteria.
Plos Pathog., 15, 2019
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5WKB
 | | MicroED structure of the segment, NFGEFS, from the A315E familial variant of the low complexity domain of TDP-43, residues 312-317 | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Guenther, E.L, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2017-07-24 | | Release date: | 2018-05-23 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
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