4HCZ
 
 | | PHF1 Tudor in complex with H3K36me3 | | Descriptor: | H3L-like histone, PHD finger protein 1 | | Authors: | Musselman, C.A, Roy, S, Nunez, J, Kutateladze, T.G. | | Deposit date: | 2012-10-01 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular basis for H3K36me3 recognition by the Tudor domain of PHF1.
Nat.Struct.Mol.Biol., 19, 2012
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2Y5A
 | | Cytochrome c peroxidase (CCP) W191G bound to 3-aminopyridine | | Descriptor: | 3-AMINOPYRIDINE, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ... | | Authors: | Cappel, D, Wahlstrom, R, Brenk, R, Sotriffer, C.A. | | Deposit date: | 2011-01-12 | | Release date: | 2011-10-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Probing the Dynamic Nature of Water Molecules and Their Influences on Ligand Binding in a Model Binding Site.
J.Chem.Inf.Model, 51, 2011
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2XRP
 | | Human Doublecortin N-DC Repeat (1MJD) and Mammalian Tubulin (1JFF and 3HKE) Docked into the 8-Angstrom Cryo-EM Map of Doublecortin- Stabilised Microtubules | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, NEURONAL MIGRATION PROTEIN DOUBLECORTIN, ... | | Authors: | Fourniol, F.J, Sindelar, C.V, Amigues, B, Clare, D.K, Thomas, G, Perderiset, M, Francis, F, Houdusse, A, Moores, C.A. | | Deposit date: | 2010-09-18 | | Release date: | 2010-11-24 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (8.2 Å) | | Cite: | Template-Free 13-Protofilament Microtubule-Map Assembly Visualized at 8 A Resolution.
J.Cell Biol., 191, 2010
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2Y1S
 | | Microvirin lectin | | Descriptor: | Mannan-binding lectin | | Authors: | Bewley, C.A, Hussan, S. | | Deposit date: | 2010-12-10 | | Release date: | 2011-04-06 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the monovalent lectin microvirin in complex with Man(alpha)(1-2)Man provides a basis for anti-HIV activity with low toxicity.
J. Biol. Chem., 286, 2011
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2XMY
 | | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | | Descriptor: | 4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | | Deposit date: | 2010-07-29 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
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2XNB
 | | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | | Descriptor: | 3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | | Deposit date: | 2010-08-01 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
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2YHH
 | | Microvirin:mannobiose complex | | Descriptor: | MANNAN-BINDING LECTIN, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | | Authors: | Hussan, S, Bewley, C.A, Clore, G.M, Gustchina, E, Ghirlando, R. | | Deposit date: | 2011-05-02 | | Release date: | 2011-06-15 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Monovalent Lectin Microvirin in Complex with Man(Alpha)(1-2)Man Provides a Basis for Anti-HIV Activity with Low Toxicity.
J.Biol.Chem., 286, 2011
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2YOJ
 | | HCV NS5B polymerase complexed with pyridonylindole compound | | Descriptor: | 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE | | Authors: | Chen, K.X, Venkatraman, S, Anilkumar, G.N, Zeng, Q, Lesburg, C.A, Vibulbhan, B, Yang, W, Velazquez, F, Chan, T.-Y, Bennett, F, Sannigrahi, M, Jiang, Y, Duca, J.S, Pinto, P, Gavalas, S, Huang, Y, Wu, W, Selyutin, O, Agrawal, S, Feld, B, Huang, H.-C, Li, C, Cheng, K.-C, Shih, N.-Y, Kozlowski, J.A, Rosenblum, S.B, Njoroge, F.G. | | Deposit date: | 2012-10-24 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate
Acs Med.Chem.Lett., 5, 2014
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2YJF
 | | Oligomeric assembly of actin bound to MRTF-A | | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Mouilleron, S, Langer, C.A, Guettler, S, McDonald, N.Q, Treisman, R. | | Deposit date: | 2011-05-19 | | Release date: | 2011-07-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of a pentavalent G-actin*MRTF-A complex reveals how G-actin controls nucleocytoplasmic shuttling of a transcriptional coactivator.
Sci Signal, 4, 2011
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2YHF
 | | 1.9 Angstrom Crystal Structure of CLEC5A | | Descriptor: | C-TYPE LECTIN DOMAIN FAMILY 5 MEMBER A | | Authors: | Watson, A.A, Lebedev, A.A, Murshudov, G.M, Vagin, A.A, Hall, B.A, O'Callaghan, C.A. | | Deposit date: | 2011-04-30 | | Release date: | 2011-05-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Flexibility of the Macrophage Dengue Virus Receptor Clec5A: Implications for Ligand Binding and Signaling.
J.Biol.Chem., 286, 2011
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2YJE
 | | Oligomeric assembly of actin bound to MRTF-A | | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Mouilleron, S, Langer, C.A, Guettler, S, McDonald, N.Q, Treisman, R. | | Deposit date: | 2011-05-19 | | Release date: | 2011-07-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of a pentavalent G-actin*MRTF-A complex reveals how G-actin controls nucleocytoplasmic shuttling of a transcriptional coactivator.
Sci Signal, 4, 2011
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1LCF
 | | CRYSTAL STRUCTURE OF COPPER-AND OXALATE-SUBSTITUTED HUMAN LACTOFERRIN AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, COPPER (II) ION, ... | | Authors: | Smith, C.A, Anderson, B.F, Baker, H.M, Baker, E.N. | | Deposit date: | 1994-01-11 | | Release date: | 1994-08-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of copper- and oxalate-substituted human lactoferrin at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 50, 1994
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1MTB
 | | Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEASE RETROPEPSIN | | Authors: | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | | Deposit date: | 2002-09-20 | | Release date: | 2003-01-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy
J.Virol., 77, 2003
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1MT9
 | | Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy | | Descriptor: | PHOSPHATE ION, PROTEASE RETROPEPSIN, p1-p6 Gag substrate decapeptide | | Authors: | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | | Deposit date: | 2002-09-20 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy
J.Virol., 77, 2003
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1MT7
 | | Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy | | Descriptor: | ACETATE ION, PROTEASE RETROPEPSIN, Substrate analogue | | Authors: | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | | Deposit date: | 2002-09-20 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy
J.Virol., 77, 2003
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1MT8
 | | Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy | | Descriptor: | ACETATE ION, Capsid-p2 substrate peptide of HIV-1 Gag polyprotein, PROTEASE RETROPEPSIN | | Authors: | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | | Deposit date: | 2002-09-20 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy
J.Virol., 77, 2003
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7MVS
 | | DNA gyrase complexed with uncleaved DNA and Compound 7 to 2.6A resolution | | Descriptor: | (1S)-2-[(2r,5S)-5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethan-1-ol, CHLORIDE ION, DNA (5'-D(P*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | | Authors: | Ratigan, S.C, McElroy, C.A. | | Deposit date: | 2021-05-15 | | Release date: | 2021-10-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.60137153 Å) | | Cite: | Optimization of TopoIV Potency, ADMET Properties, and hERG Inhibition of 5-Amino-1,3-dioxane-Linked Novel Bacterial Topoisomerase Inhibitors: Identification of a Lead with In Vivo Efficacy against MRSA.
J.Med.Chem., 64, 2021
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7MKT
 | | Crystal structure of r(GU)11G-NMM complex | | Descriptor: | N-METHYLMESOPORPHYRIN, POTASSIUM ION, RNA (5'-R(*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*G)-3') | | Authors: | Bingman, C.A, Roschdi, S, Nomura, Y, Butcher, S.E. | | Deposit date: | 2021-04-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | An atypical RNA quadruplex marks RNAs as vectors for gene silencing.
Nat.Struct.Mol.Biol., 29, 2022
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7PUP
 | | INOSITOL 1,3,4-TRISPHOSPHATE 5/6-KINASE 4 from Arabidopsis thaliana (AtITPK4) in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Inositol 1,3,4-trisphosphate 5/6-kinase 4 | | Authors: | Whitfield, H, He, S, Brearley, C.A, Hemmings, A.M. | | Deposit date: | 2021-09-30 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Diversification in the inositol tris/tetrakisphosphate kinase (ITPK) family: crystal structure and enzymology of the outlier AtITPK4.
Biochem.J., 480, 2023
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7PZT
 | | Structure of the bacterial toxin, TecA, an asparagine deamidase from Alcaligenes faecalis. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Urea amidohydrolase | | Authors: | Dix, S.R, Aziz, A.A, Baker, P.J, Evans, C.A, Dickman, M.J, Farthing, R.J, King, Z.L.S, Nathan, S, Partridge, L.J, Raih, F.M, Sedelnikova, S.E, Thomas, M.S, Rice, D.W. | | Deposit date: | 2021-10-13 | | Release date: | 2022-11-02 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The structure of A. faecalis TecA provides insights into its role as an asparagine deamidase toxin which targets RhoA
To Be Published
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7QFO
 | | Human Topoisomerase II Beta ATPase AMPPNP | | Descriptor: | ALANINE, DNA topoisomerase 2-beta, MAGNESIUM ION, ... | | Authors: | Ling, E.M, Basle, A, Cowell, I.G, Blower, T.R, Austin, C.A. | | Deposit date: | 2021-12-06 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193.
Structure, 30, 2022
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7QFN
 | | Human Topoisomerase II Beta ATPase ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2-beta, MAGNESIUM ION, ... | | Authors: | Ling, E.M, Basle, A, Cowell, I.G, Blower, T.R, Austin, C.A. | | Deposit date: | 2021-12-06 | | Release date: | 2022-05-25 | | Last modified: | 2023-03-01 | | Method: | X-RAY DIFFRACTION (2.621 Å) | | Cite: | A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193.
Structure, 30, 2022
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7QD5
 | | Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in complex with 48 bp long transposon end DNA | | Descriptor: | IR48 DNA substrate, non transferred strand, IR48 transferred strand, ... | | Authors: | Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G. | | Deposit date: | 2021-11-26 | | Release date: | 2022-10-26 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insight into Tn3 family transposition mechanism.
Nat Commun, 13, 2022
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7QD8
 | | Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in apo state | | Descriptor: | Transposase for transposon Tn4430 | | Authors: | Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G. | | Deposit date: | 2021-11-26 | | Release date: | 2022-10-26 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural insight into Tn3 family transposition mechanism.
Nat Commun, 13, 2022
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7QD6
 | | Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in complex with strand-transfer like DNA product | | Descriptor: | IR71st non transferred strand, IR71st transferred strand, Transposase for transposon Tn4430 | | Authors: | Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G. | | Deposit date: | 2021-11-26 | | Release date: | 2022-10-26 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insight into Tn3 family transposition mechanism.
Nat Commun, 13, 2022
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