5MV3
 
 | | ACC1 Fab fragment in complex with CII583-591 (CG10) | | Descriptor: | heavy chain of ACC1 Fab fragment, light chain of ACC1 Fab fragment, synthetic peptide containing the CII583-591 epitope of collagen type II,Collagen alpha-1(II) chain,synthetic peptide containing the CII583-591 epitope of collagen type II, | | Authors: | Dobritzsch, D, Holmdahl, R, Ge, C. | | Deposit date: | 2017-01-15 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
|
|
1PE8
 | | Thermolysin with monocyclic inhibitor | | Descriptor: | 2-ETHOXYETHYLPHOSPHINATE, 3-METHYLBUTAN-1-AMINE, CALCIUM ION, ... | | Authors: | Juers, D, Pyun, H.-J, Bartlett, P.A, Matthews, B.W. | | Deposit date: | 2003-05-21 | | Release date: | 2004-06-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conformational Constraint and Structural Complementarity in Thermolysin Inhibitors: Structures of Enzyme Complexes and Conclusions
To be Published
|
|
6FFZ
 | | Crystal structure of R. ruber ADH-A, mutant F43H, Y54L | | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | | Deposit date: | 2018-01-09 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Directed Evolution of Alcohol Dehydrogenase for Improved Stereoselective Redox Transformations of 1-Phenylethane-1,2-diol and Its Corresponding Acyloin.
Biochemistry, 57, 2018
|
|
3J3I
 | | Penicillium chrysogenum virus (PcV) capsid structure | | Descriptor: | Capsid protein | | Authors: | Luque, D, Gomez-Blanco, J, Garriga, D, Brilot, A, Gonzalez, J.M, Havens, W.H, Carrascosa, J.L, Trus, B.L, Verdaguer, N, Grigorieff, N, Ghabrial, S.A, Caston, J.R. | | Deposit date: | 2013-03-08 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM near-atomic structure of a dsRNA fungal virus shows ancient structural motifs preserved in the dsRNA viral lineage.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
5N21
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | | Descriptor: | 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, B-cell lymphoma 6 protein, CHLORIDE ION | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
|
|
5NIW
 | | Glucose oxydase mutant A2 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hoffmann, K, Frank, D. | | Deposit date: | 2017-03-27 | | Release date: | 2017-11-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase.
ACS Catal, 7, 2017
|
|
1I84
 | | CRYO-EM STRUCTURE OF THE HEAVY MEROMYOSIN SUBFRAGMENT OF CHICKEN GIZZARD SMOOTH MUSCLE MYOSIN WITH REGULATORY LIGHT CHAIN IN THE DEPHOSPHORYLATED STATE. ONLY C ALPHAS PROVIDED FOR REGULATORY LIGHT CHAIN. ONLY BACKBONE ATOMS PROVIDED FOR S2 FRAGMENT. | | Descriptor: | SMOOTH MUSCLE MYOSIN ESSENTIAL LIGHT CHAIN, SMOOTH MUSCLE MYOSIN HEAVY CHAIN, SMOOTH MUSCLE MYOSIN REGULATORY LIGHT CHAIN | | Authors: | Wendt, T, Taylor, D, Trybus, K.M, Taylor, K. | | Deposit date: | 2001-03-12 | | Release date: | 2001-03-28 | | Last modified: | 2022-12-21 | | Method: | ELECTRON CRYSTALLOGRAPHY (20 Å) | | Cite: | Three-dimensional image reconstruction of dephosphorylated smooth muscle heavy meromyosin reveals asymmetry in the interaction between myosin heads and placement of subfragment 2.
Proc.Natl.Acad.Sci.USA, 98, 2001
|
|
5NJR
 | | Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 4ET8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | Authors: | Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J. | | Deposit date: | 2017-03-29 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
|
|
1G8Y
 | | CRYSTAL STRUCTURE OF THE HEXAMERIC REPLICATIVE HELICASE REPA OF PLASMID RSF1010 | | Descriptor: | REGULATORY PROTEIN REPA | | Authors: | Niedenzu, T, Roeleke, D, Bains, G, Scherzinger, E, Saenger, W. | | Deposit date: | 2000-11-21 | | Release date: | 2001-02-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the hexameric replicative helicase RepA of plasmid RSF1010.
J.Mol.Biol., 306, 2001
|
|
1NX1
 | | Calpain Domain VI Complexed with Calpastatin Inhibitory Domain C (DIC) | | Descriptor: | CALCIUM ION, Calcium-dependent protease, small subunit, ... | | Authors: | Todd, B, Moore, D, Deivanayagam, C.C.S, Lin, G.-D, Chattopadhyay, D, Maki, M, Wang, K.K.W, Narayana, S.V.L. | | Deposit date: | 2003-02-07 | | Release date: | 2003-08-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A structural model for the inhibition of calpain by calpastatin: crystal structures of the native domain VI of calpain and its complexes with calpastatin peptide and a small molecule inhibitor.
J.Mol.Biol., 328, 2003
|
|
5NCR
 | | OH1 from the Orf virus: a tyrosine phosphatase that displays distinct structural features and triple substrate specificity | | Descriptor: | PHOSPHATE ION, SULFATE ION, tyrosine phosphatase | | Authors: | Segovia, D, Haouz, A, Berois, M, Villarino, A, Andre-Leroux, G. | | Deposit date: | 2017-03-06 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | OH1 from Orf Virus: A New Tyrosine Phosphatase that Displays Distinct Structural Features and Triple Substrate Specificity.
J. Mol. Biol., 429, 2017
|
|
2OXR
 | | PAB0955 crystal structure : a GTPase in GDP and Mg bound form from Pyrococcus abyssi (after GTP hydrolysis) | | Descriptor: | ATP(GTP)binding protein, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Gras, S, Carpentier, P, Armengaud, J, Housset, D. | | Deposit date: | 2007-02-21 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insights into a new homodimeric self-activated GTPase family.
Embo Rep., 8, 2007
|
|
5N1X
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | | Descriptor: | B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
|
|
6EUM
 | | CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 | | Descriptor: | (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | | Deposit date: | 2017-10-30 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
|
|
5N1Z
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine macrocyclic ligand | | Descriptor: | B-cell lymphoma 6 protein, CHLORIDE ION, pyrazolo-pyrimidine macrocycle | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
|
|
6EWE
 | | Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 | | Descriptor: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | | Deposit date: | 2017-11-03 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
|
|
4WQ6
 | | The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21) | | Descriptor: | 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Li, D, Wang, W. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
1OEV
 | | Oxidation state of protein tyrosine phosphatase 1B | | Descriptor: | MAGNESIUM ION, PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 | | Authors: | van Montfort, R.L.M, Congreve, M, Tisi, D, Carr, R, Jhoti, H. | | Deposit date: | 2003-03-31 | | Release date: | 2003-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B.
Nature, 423, 2003
|
|
1JKW
 | |
8FCG
 | | Cryo-EM structure of Chikungunya virus asymmetric unit | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Capsid protein, E1 glycoprotein, ... | | Authors: | Su, G.C, Chmielewsk, D, Kaelber, J, Pintilie, G, Chen, M, Jin, J, Auguste, A, Chiu, W. | | Deposit date: | 2022-12-01 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Cryogenic electron microscopy and tomography reveal imperfect icosahedral symmetry in alphaviruses.
Pnas Nexus, 3, 2024
|
|
6FEJ
 | | Anabaena Apo-C-Terminal Domain Homolog Protein | | Descriptor: | All4940 protein, UREA | | Authors: | Harris, D, Wilson, A, Muzzopappa, F, Kirilovsky, D, Adir, N. | | Deposit date: | 2018-01-02 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural rearrangements in the C-terminal domain homolog of Orange Carotenoid Protein are crucial for carotenoid transfer.
Commun Biol, 1, 2018
|
|
6FFX
 | | Crystal structure of R. ruber ADH-A, mutant F43H | | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | | Deposit date: | 2018-01-09 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Directed Evolution of Alcohol Dehydrogenase for Improved Stereoselective Redox Transformations of 1-Phenylethane-1,2-diol and Its Corresponding Acyloin.
Biochemistry, 57, 2018
|
|
1FXU
 | | PURINE NUCLEOSIDE PHOSPHORYLASE FROM CALF SPLEEN IN COMPLEX WITH N(7)-ACYCLOGUANOSINE INHIBITOR AND A PHOSPHATE ION | | Descriptor: | 2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Luic, M, Bzowska, A, Shugar, D, Saenger, W, Koellner, G. | | Deposit date: | 2000-09-27 | | Release date: | 2000-10-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Calf spleen purine nucleoside phosphorylase: structure of its ternary complex with an N(7)-acycloguanosine inhibitor and a phosphate anion.
Acta Crystallogr.,Sect.D, 57, 2001
|
|
1KRW
 | | SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF BERYLLOFLUORIDE-ACTIVATED NTRC RECEIVER DOMAIN | | Descriptor: | NITROGEN REGULATION PROTEIN NR(I) | | Authors: | Hastings, C.A, Lee, S.-Y, Cho, H.S, Yan, D, Kustu, S, Wemmer, D.E. | | Deposit date: | 2002-01-10 | | Release date: | 2003-08-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | High-Resolution Solution Structure of the Beryllofluoride-Activated NtrC Receiver Domain
Biochemistry, 42, 2003
|
|
5JM4
 | | Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain | | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, GLN-GLY-MKD-ANG-ASP-MKD-LEU-ASP-LEU-ALA-CLU | | Authors: | Bier, D, Krueger, D, Glas, A, Wallraven, K, Ottmann, C, Hennig, S, Grossmann, T. | | Deposit date: | 2016-04-28 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions.
J. Med. Chem., 60, 2017
|
|
