4C2G
 
 | | Crystal structure of CtpB(S309A) in complex with a peptide having a Val-Pro-Ala C-terminus | | Descriptor: | CARBOXY-TERMINAL PROCESSING PROTEASE CTPB, PEPTIDE1 | | Authors: | Mastny, M, Heuck, A, Kurzbauer, R, Clausen, T. | | Deposit date: | 2013-08-17 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ctpb Assembles a Gated Protease Tunnel Regulating Cell-Cell Signaling During Spore Formation in Bacillus Subtilis.
Cell(Cambridge,Mass.), 155, 2013
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4BYJ
 | | Aurora A kinase bound to a highly selective imidazopyridine inhibitor | | Descriptor: | (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide, AURORA KINASE A | | Authors: | Joshi, A, Kosmopoulou, M, Bayliss, R. | | Deposit date: | 2013-07-19 | | Release date: | 2013-11-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
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4F3Z
 | | Crystal structure of a swine H1N2 influenza virus hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | | Authors: | Xu, R, Wilson, I.A. | | Deposit date: | 2012-05-09 | | Release date: | 2012-07-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Functional Balance of the Hemagglutinin and Neuraminidase Activities Accompanies the Emergence of the 2009 H1N1 Influenza Pandemic.
J.Virol., 86, 2012
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6GIS
 | | Structural basis of human clamp sliding on DNA | | Descriptor: | DNA (5'-D(P*AP*TP*AP*CP*GP*AP*TP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*AP*TP*CP*GP*TP*AP*T)-3'), Proliferating cell nuclear antigen | | Authors: | De March, M, Merino, N, Barrera-Vilarmau, S, Crehuet, R, Onesti, S, Blanco, F.J, De Biasio, A. | | Deposit date: | 2018-05-15 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Structural basis of human PCNA sliding on DNA.
Nat Commun, 8, 2017
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3N5G
 | | Crystal Structure of histidine-tagged human thymidylate synthase | | Descriptor: | SULFATE ION, Thymidylate synthase | | Authors: | Pozzi, C, Cardinale, D, Guaitoli, G, Tondi, D, Luciani, R, Myllykallio, H, Ferrari, S, Costi, M.P, Mangani, S. | | Deposit date: | 2010-05-25 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4DQV
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3B5B
 | | Crystal structure of the thymidylate synthase k48q | | Descriptor: | 2'-DEOXY-5-NITROURIDINE 5'-(DIHYDROGEN PHOSPHATE), 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, FORMIC ACID, ... | | Authors: | Sotelo-Mundo, R.R, Arreola, R, Maley, F, Montfort, W.R. | | Deposit date: | 2007-10-25 | | Release date: | 2007-12-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Role of an invariant lysine residue in folate binding on Escherichia coli thymidylate synthase: Calorimetric and crystallographic analysis of the K48Q mutant.
Int.J.Biochem.Cell Biol., 40, 2008
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4QI0
 | | X-ray structure of the ROQ domain from murine Roquin-1 | | Descriptor: | 1,2-ETHANEDIOL, Roquin-1 | | Authors: | Janowski, R, Schlundt, A, Sattler, M, Niessing, D. | | Deposit date: | 2014-05-30 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural basis for RNA recognition in roquin-mediated post-transcriptional gene regulation.
Nat.Struct.Mol.Biol., 21, 2014
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1IXP
 | | Enzyme-phosphate Complex of Pyridoxine 5'-Phosphate synthase | | Descriptor: | PHOSPHATE ION, Pyridoxine 5'-Phosphate synthase | | Authors: | Garrido-Franco, M, Laber, B, Huber, R, Clausen, T. | | Deposit date: | 2002-06-28 | | Release date: | 2003-02-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis
J.MOL.BIOL., 321, 2002
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4RLP
 | | Human p70s6k1 with ruthenium-based inhibitor FL772 | | Descriptor: | CHLORIDE ION, [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium, p70S6K1 | | Authors: | Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R. | | Deposit date: | 2014-10-17 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
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2H71
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3POJ
 | | Crystal structure of MASP-1 CUB2 domain bound to Ethylamine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ETHANAMINE, ... | | Authors: | Gingras, A.R, Moody, P.C.E, Wallis, R. | | Deposit date: | 2010-11-22 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Structural Basis of Mannan-Binding Lectin Recognition by Its Associated Serine Protease MASP-1: Implications for Complement Activation.
Structure, 19, 2011
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1LK9
 | | The Three-dimensional Structure of Alliinase from Garlic | | Descriptor: | 2-AMINO-ACRYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Kuettner, E.B, Hilgenfeld, R, Weiss, M.S. | | Deposit date: | 2002-04-24 | | Release date: | 2002-12-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | The active principle of garlic at atomic resolution
J.Biol.Chem., 277, 2002
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1LMA
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3CM8
 | | A RNA polymerase subunit structure from virus | | Descriptor: | Polymerase acidic protein, peptide from RNA-directed RNA polymerase catalytic subunit | | Authors: | He, X, Zhou, J, Zeng, Z, Ma, J, Zhang, R, Rao, Z, Liu, Y. | | Deposit date: | 2008-03-21 | | Release date: | 2008-07-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.899 Å) | | Cite: | Crystal structure of the polymerase PAC-PB1N complex from an avian influenza H5N1 virus
Nature, 454, 2008
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4RLO
 | | Human p70s6k1 with ruthenium-based inhibitor EM5 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R. | | Deposit date: | 2014-10-17 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.527 Å) | | Cite: | Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
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4BUQ
 | | Crystal structure of wild type FimH lectin domain in complex with heptyl alpha-D-mannopyrannoside | | Descriptor: | FIMH, heptyl alpha-D-mannopyranoside | | Authors: | Rabbani, S, Bouckaert, J, Zalewski, A, Preston, R, Eid, S, Thompson, A, Puorger, C, Glockshuber, R, Ernst, B. | | Deposit date: | 2013-06-23 | | Release date: | 2014-02-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Validation of Reactivity Descriptors to Assess the Aromatic Stacking within the Tyrosine Gate of Fimh
Acs Med.Chem.Lett., 4, 2013
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1IXO
 | | Enzyme-analogue substrate complex of Pyridoxine 5'-Phosphate Synthase | | Descriptor: | Pyridoxine 5'-Phosphate synthase, SN-GLYCEROL-3-PHOSPHATE | | Authors: | Garrido-Franco, M, Laber, B, Huber, R, Clausen, T. | | Deposit date: | 2002-06-28 | | Release date: | 2003-02-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis
J.MOL.BIOL., 321, 2002
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4TN2
 | | NS5b in complex with lactam-thiophene carboxylic acids | | Descriptor: | 3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid, Genome polyprotein | | Authors: | Chopra, R. | | Deposit date: | 2014-06-02 | | Release date: | 2014-09-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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4RNP
 | | BACTERIOPHAGE T7 RNA POLYMERASE, HIGH SALT CRYSTAL FORM, LOW TEMPERATURE DATA, ALPHA-CARBONS ONLY | | Descriptor: | RNA POLYMERASE | | Authors: | Liu, Z.J, Sousa, R, Rose, J.P, Wang, B.C. | | Deposit date: | 1997-09-11 | | Release date: | 1997-12-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of bacteriophage T7 RNA polymerase at 3.3 A resolution.
Nature, 364, 1993
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1JIG
 | | Dlp-2 from Bacillus anthracis | | Descriptor: | Dlp-2, FE (III) ION | | Authors: | Papinutto, E, Dundon, W.G, Pitulis, N, Battistutta, R, Montecucco, C, Zanotti, G. | | Deposit date: | 2001-07-02 | | Release date: | 2002-06-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structure of two iron-binding proteins from Bacillus anthracis.
J.Biol.Chem., 277, 2002
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1W0V
 | | Crystal Structure Of HLA-B*2705 Complexed With the self-Peptide TIS from EGF-response factor 1 | | Descriptor: | BETA-2-MICROGLOBULIN, BUTYRATE RESPONSE FACTOR 2, GLYCEROL, ... | | Authors: | Hulsmeyer, M, Fiorillo, M.T, Bettosini, F, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | Deposit date: | 2004-06-14 | | Release date: | 2005-03-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Thermodynamic and Structural Equivalence of Two Hla-B27 Subtypes Complexed with a Self-Peptide
J.Mol.Biol., 346, 2005
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4F0Z
 | | Crystal Structure of Calcineurin in Complex with the Calcineurin-Inhibiting Domain of the African Swine Fever Virus Protein A238L | | Descriptor: | Ankyrin repeat domain-containing protein A238L, CALCIUM ION, Calcineurin subunit B type 1, ... | | Authors: | Grigoriu, S, Peti, W, Page, R. | | Deposit date: | 2012-05-05 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The molecular mechanism of substrate engagement and immunosuppressant inhibition of calcineurin.
Plos Biol., 11, 2013
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2ZDZ
 | | X-ray structure of Bace-1 in complex with compound 3.b.10 | | Descriptor: | Beta-secretase 1, N-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide | | Authors: | Chopra, R, Olland, A. | | Deposit date: | 2007-12-04 | | Release date: | 2008-12-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.
Bioorg.Med.Chem.Lett., 18, 2008
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1TIJ
 | | 3D Domain-swapped human cystatin C with amyloid-like intermolecular beta-sheets | | Descriptor: | Cystatin C | | Authors: | Janowski, R, Kozak, M, Abrahamson, M, Grubb, A, Jaskolski, M. | | Deposit date: | 2004-06-02 | | Release date: | 2005-07-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | 3D domain-swapped human cystatin C with amyloidlike intermolecular beta-sheets.
Proteins, 61, 2005
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