7B5J
 
 | | Anti-CRISPR associated (Aca) protein, Aca2 | | Descriptor: | Anti-CRISPR associated (Aca) protein, Aca2, GLYCEROL | | Authors: | Usher, B, Birkholz, N, Fineran, P.C, Blower, T.R. | | Deposit date: | 2020-12-03 | | Release date: | 2021-06-23 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal structure of the anti-CRISPR repressor Aca2.
J.Struct.Biol., 213, 2021
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5O75
 | | Ube4B U-box domain | | Descriptor: | SULFATE ION, Ubiquitin conjugation factor E4 B | | Authors: | Gabrielsen, M, Buetow, L, Nakasone, M.A, Huang, D.T. | | Deposit date: | 2017-06-08 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.483 Å) | | Cite: | A General Strategy for Discovery of Inhibitors and Activators of RING and U-box E3 Ligases with Ubiquitin Variants.
Mol. Cell, 68, 2017
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4UJ1
 | | Protein Kinase A in complex with an Inhibitor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | | Authors: | Alam, K.A, Engh, R.A. | | Deposit date: | 2015-04-07 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.768 Å) | | Cite: | Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
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6PDK
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3LX0
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS D21N at cryogenic temperature | | Descriptor: | PHOSPHATE ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Doctrow, B.M, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A. | | Deposit date: | 2010-02-24 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cooperative Proton Binding in a Cluster of Carboxylic Residues
To be Published
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6PQC
 | | Structure of cefotaxime-CDD-1 beta-lactamase complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2019-07-09 | | Release date: | 2019-10-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structures of CDD-1, the intrinsic class D beta-lactamase from the pathogenic Gram-positive bacterium Clostridioides difficile, and its complex with cefotaxime.
J.Struct.Biol., 208, 2019
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4V30
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4PUR
 | | Crystal structure of MglA from Francisella tularensis | | Descriptor: | D-MALATE, Macrophage growth locus, subunit A | | Authors: | Cuthbert, B.J, Schumacher, M.A, Brennan, R.G. | | Deposit date: | 2014-03-13 | | Release date: | 2015-06-24 | | Last modified: | 2021-01-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural and Biochemical Characterization of the Francisella tularensis Pathogenicity Regulator, Macrophage Locus Protein A (MglA).
Plos One, 10, 2015
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1OAJ
 | | Active site copper and zinc ions modulate the quaternary structure of prokaryotic Cu,Zn superoxide dismutase | | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Cioni, P, Pesce, A, Rocca, B.M.D, Castelli, S, Falconi, M, Parrilli, L, Bolognesi, M, Strambini, G, Desideri, A. | | Deposit date: | 2003-01-14 | | Release date: | 2003-02-27 | | Last modified: | 2019-03-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Active-Site Copper and Zinc Ions Modulate the Quaternary Structure of Prokaryotic Cu,Zn Superoxide Dismutase
J.Mol.Biol., 326, 2003
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4PV0
 | | Crystal structure of spleen tyrosine kinase (Syk) in complex with an imidazopyrazine inhibitor | | Descriptor: | 4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid, CHLORIDE ION, Tyrosine-protein kinase SYK | | Authors: | Lansdon, E.B, Mitchell, S.A. | | Deposit date: | 2014-03-14 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase.
J.Med.Chem., 57, 2014
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4V32
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide, Y101F mutant | | Descriptor: | CEREBLON ISOFORM 4, S-Thalidomide, ZINC ION | | Authors: | Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B. | | Deposit date: | 2014-10-15 | | Release date: | 2014-12-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
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6CRT
 | | Arg65Gln Mutagenic E.coli PCK | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase (ATP) | | Authors: | Sokaribo, A.S, Cotelesage, J.H, Novakovski, B, Goldie, H, Sanders, D. | | Deposit date: | 2018-03-19 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | Arg65Gln Mutagenic E.coli PCK
To Be Published
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5OET
 | | The structure of a glutathione synthetase like-effector (GSS30) from Globodera pallida in apoform. | | Descriptor: | Glutathione synthetase-like effector 30 (Gpa-GSS30-apo), MAGNESIUM ION | | Authors: | Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S. | | Deposit date: | 2017-07-10 | | Release date: | 2018-04-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene.
PLoS Genet., 14, 2018
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7T7A
 | | Crystal Structure of Human SHOC2: A Leucine-Rich Repeat Protein | | Descriptor: | Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, NITRATE ION | | Authors: | Hajian, B, Lemke, C, Kwon, J, Bian, Y, Fuller, C, Aguirre, J. | | Deposit date: | 2021-12-14 | | Release date: | 2022-05-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022
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6CSO
 | | Crystal structure of the designed light-gated anion channel iC++ at pH6.5 | | Descriptor: | OLEIC ACID, RETINAL, iC++ | | Authors: | Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K. | | Deposit date: | 2018-03-21 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
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1NNJ
 | | Crystal structure Complex between the Lactococcus lactis Fpg and an abasic site containing DNA | | Descriptor: | 5'-D(*CP*TP*CP*TP*TP*TP*(PDI)P*TP*TP*TP*CP*TP*CP*G)-3', 5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3', Formamidopyrimidine-DNA glycosylase, ... | | Authors: | Serre, L, Pereira de Jesus, K, Boiteux, S, Zelwer, C, Castaing, B. | | Deposit date: | 2003-01-14 | | Release date: | 2003-02-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into abasic site for Fpg specific binding and catalysis: comparative high-resolution crystallographic studies of Fpg bound to various models of abasic site analogues-containing DNA.
Nucleic Acids Res., 33, 2005
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5A1G
 | | The structure of Human MAT2A in complex with S-adenosylethionine and PPNP. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (DIPHOSPHONO)AMINOPHOSPHONIC ACID, IMIDAZOLE, ... | | Authors: | Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L. | | Deposit date: | 2015-04-30 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystallography Captures Catalytic Steps in Human Methionine Adenosyltransferase Enzymes.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3LXR
 | | Shigella IpgB2 in complex with human RhoA and GDP (complex C) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, IpgB2, SULFATE ION, ... | | Authors: | Klink, B.U, Barden, S, Heidler, T.V, Borchers, C, Ladwein, M, Stradal, T.E.B, Rottner, K, Heinz, D.W. | | Deposit date: | 2010-02-25 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structure of Shigella IPGB2 in complex with human RhoA: Implications for the mechanism of bacterial GEF-mimicry
J.Biol.Chem., 285, 2010
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4V2Y
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5O1X
 | | Structure of Nrd1 RNA binding domain | | Descriptor: | 1,2-ETHANEDIOL, Protein NRD1, THIOCYANATE ION | | Authors: | Franco-Echevarria, E, Perez-Canadillas, J.M, Gonzalez, B. | | Deposit date: | 2017-05-19 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure of transcription termination factor Nrd1 reveals an original mode for GUAA recognition.
Nucleic Acids Res., 45, 2017
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3LYS
 | | Crystal Structure of the N-terminal domain of the Prophage pi2 protein 01 (integrase) from Lactococcus lactis, Northeast Structural Genomics Consortium Target KR124F | | Descriptor: | Prophage pi2 protein 01, integrase | | Authors: | Forouhar, F, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-02-28 | | Release date: | 2010-03-16 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Northeast Structural Genomics Consortium Target KR124F
To be Published
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4V2Z
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1O2K
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J. | | Deposit date: | 2003-03-06 | | Release date: | 2003-05-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating
Binding of Active Site-Directed Serine Protease Inhibitors
J.Mol.Biol., 329, 2003
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1O2P
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J. | | Deposit date: | 2003-03-06 | | Release date: | 2003-05-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating
Binding of Active Site-Directed Serine Protease Inhibitors
J.Mol.Biol., 329, 2003
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6PFM
 | | Crystal structure of GDC-0927 bound to estrogen receptor alpha | | Descriptor: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor | | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Zbieg, J.R, Labadie, S.S, Li, J, Ray, N.C, Ortwine, D. | | Deposit date: | 2019-06-21 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019
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