4DHF
 
 | | Structure of Aurora A mutant bound to Biogenidec cpd 15 | | Descriptor: | 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Aurora kinase A, MAGNESIUM ION, ... | | Authors: | Silvian, L, Marcotte, D.J. | | Deposit date: | 2012-01-27 | | Release date: | 2012-07-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4DOW
 | | Structure of mouse ORC1 BAH domain bound to H4K20me2 | | Descriptor: | Histone H4, Origin recognition complex subunit 1 | | Authors: | Song, J, Patel, D.J. | | Deposit date: | 2012-02-10 | | Release date: | 2012-03-07 | | Last modified: | 2012-04-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The BAH domain of ORC1 links H4K20me2 to DNA replication licensing and Meier-Gorlin syndrome.
Nature, 484, 2012
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4CFU
 | | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | | Descriptor: | 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | | Deposit date: | 2013-11-19 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
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4BZ2
 | | Structure of dengue virus EDIII in complex with Fab 2D73 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ENVELOPE PROTEIN, ... | | Authors: | Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B. | | Deposit date: | 2013-07-23 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure of Dengue Virus Ediii in Complex with Fab 2D73
To be Published
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4CFX
 | | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | | Descriptor: | 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | | Deposit date: | 2013-11-19 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
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4E19
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4EBW
 | | Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor | | Descriptor: | 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1 | | Authors: | Iwatani, M, Iwata, H, Okabe, A, Skene, R.J, Tomita, N, Hayashi, Y, Aramaki, Y, Hosfield, D.J, Hori, A, Baba, A, Miki, H. | | Deposit date: | 2012-03-25 | | Release date: | 2012-07-25 | | Last modified: | 2013-03-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery and characterization of novel allosteric FAK inhibitors.
Eur.J.Med.Chem., 61, 2013
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2MNR
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2PAC
 | | SOLUTION STRUCTURE OF FE(II) CYTOCHROME C551 FROM PSEUDOMONAS AERUGINOSA AS DETERMINED BY TWO-DIMENSIONAL 1H NMR | | Descriptor: | CYTOCHROME C551, HEME C | | Authors: | Detlefsen, D.J, Thanabal, V, Pecoraro, V.L, Wagner, G. | | Deposit date: | 1993-05-05 | | Release date: | 1993-10-31 | | Last modified: | 2021-03-10 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Fe(II) cytochrome c551 from Pseudomonas aeruginosa as determined by two-dimensional 1H NMR.
Biochemistry, 30, 1991
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1PF8
 | | Crystal Structure of Human Cyclin-Dependent Kinase 2 Complexed with a Nucleoside Inhibitor | | Descriptor: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, Cell division protein kinase 2 | | Authors: | Moshinsky, D.J, Bellamacina, R.C, Boisvert, D.C, Huang, P, Hui, T, Jancarik, J, Kim, S.H, Rice, A.G. | | Deposit date: | 2003-05-24 | | Release date: | 2003-12-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | SU9516: biochemical analysis of cdk inhibition and crystal structure in complex with cdk2.
Biochem.Biophys.Res.Commun., 310, 2003
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1PC0
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1PDU
 | | Ligand-binding domain of Drosophila orphan nuclear receptor DHR38 | | Descriptor: | nuclear hormone receptor HR38 | | Authors: | Baker, K.D, Shewchuk, L.M, Korlova, T, Makishima, M, Hassell, A.M, Wisely, B, Caravella, J.A, Lambert, M.H, Wilson, T.M, Mangelsdorf, D.J. | | Deposit date: | 2003-05-20 | | Release date: | 2003-06-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Drosophila orphan nuclear receptor DHR38 mediates an atypical ecdysteroid signaling pathway.
Cell(Cambridge,Mass.), 113, 2003
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1QXD
 | | Structural Basis for the Potent Antisickling Effect of a Novel Class of 5-Membered Heterocyclic Aldehydic Compounds | | Descriptor: | FURFURAL, Hemoglobin alpha chain, Hemoglobin beta chain, ... | | Authors: | Safo, M.K, Abdulmalik, O, Danso-Danquah, R, Nokuri, S, Joshi, G.S, Musayev, F.N, Asakura, T, Abraham, D.J. | | Deposit date: | 2003-09-05 | | Release date: | 2003-09-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for the potent antisickling effect of a novel class of five-membered heterocyclic aldehydic compounds
J.Med.Chem., 47, 2004
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1R12
 | | Native Aplysia ADP ribosyl cyclase | | Descriptor: | ADP-ribosyl cyclase | | Authors: | Love, M.L, Szebenyi, D.M.E, Kriksunov, I.A, Thiel, D.J, Munshi, C, Graeff, R, Lee, H.C, Hao, Q. | | Deposit date: | 2003-09-23 | | Release date: | 2004-03-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | ADP-ribosyl cyclase; crystal structures reveal a covalent intermediate.
Structure, 12, 2004
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1QXE
 | | Structural Basis for the Potent Antisickling Effect of a Novel Class of 5-Membered Heterocyclic Aldehydic Compounds | | Descriptor: | 5-HYDROXYMETHYL-FURFURAL, Hemoglobin alpha chain, Hemoglobin beta chain, ... | | Authors: | Safo, M.K, Abdulmalik, O, Danso-Danquah, R, Nokuri, S, Joshi, G.S, Musayev, F.N, Asakura, T, Abraham, D.J. | | Deposit date: | 2003-09-05 | | Release date: | 2003-09-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for the potent antisickling effect of a novel class of five-membered heterocyclic aldehydic compounds
J.Med.Chem., 47, 2004
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1QIA
 | | CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN | | Descriptor: | CALCIUM ION, STROMELYSIN-1, ZINC ION | | Authors: | Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A.G, Rubin, J.R, Skeean, R.W, White, A.D, Blundell, T.L, Humblet, C, Hupe, D.J, Dhanaraj, V. | | Deposit date: | 1999-06-11 | | Release date: | 2003-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity
Protein Sci., 8, 1999
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1QUM
 | | CRYSTAL STRUCTURE OF ESCHERICHIA COLI ENDONUCLEASE IV IN COMPLEX WITH DAMAGED DNA | | Descriptor: | 5'-D(*(3DR)P*CP*GP*AP*CP*GP*A)-3', 5'-D(*CP*GP*TP*CP*C)-3', 5'-D(*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*G)-3', ... | | Authors: | Hosfield, D.J, Guan, Y, Haas, B.J, Cunningham, R.P, Tainer, J.A. | | Deposit date: | 1999-07-01 | | Release date: | 1999-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of the DNA repair enzyme endonuclease IV and its DNA complex: double-nucleotide flipping at abasic sites and three-metal-ion catalysis.
Cell(Cambridge,Mass.), 98, 1999
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1QWO
 | | Crystal structure of a phosphorylated phytase from Aspergillus fumigatus, revealing the structural basis for its heat resilience and catalytic pathway | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, phytase | | Authors: | Xiang, T, Liu, Q, Deacon, A.M, Koshy, M, Kriksunov, I.A, Lei, X.G, Hao, Q, Thiel, D.J. | | Deposit date: | 2003-09-03 | | Release date: | 2004-06-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of a Heat-resilient Phytase from Aspergillus fumigatus, Carrying a Phosphorylated Histidine
J.Mol.Biol., 339, 2004
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1QQW
 | | CRYSTAL STRUCTURE OF HUMAN ERYTHROCYTE CATALASE | | Descriptor: | CATALASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ko, T.P, Safo, M.K, Musayev, F.N, Wang, C, Wu, S.H, Abraham, D.J. | | Deposit date: | 1999-06-09 | | Release date: | 1999-06-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure of human erythrocyte catalase.
Acta Crystallogr.,Sect.D, 56, 2000
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1QTW
 | | HIGH-RESOLUTION CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI DNA REPAIR ENZYME ENDONUCLEASE IV | | Descriptor: | ENDONUCLEASE IV, ZINC ION | | Authors: | Hosfield, D.J, Guan, Y, Haas, B.J, Cunningham, R.P, Tainer, J.A. | | Deposit date: | 1999-06-29 | | Release date: | 1999-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Structure of the DNA repair enzyme endonuclease IV and its DNA complex: double-nucleotide flipping at abasic sites and three-metal-ion catalysis.
Cell(Cambridge,Mass.), 98, 1999
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1Q71
 | | The structure of microcin J25 is a threaded sidechain-to-backbone ring structure and not a head-to-tail cyclized backbone | | Descriptor: | microcin J25 | | Authors: | Rosengren, K.J, Clark, R, Daly, N.L, Goransson, U, Jones, A, Craik, D.J. | | Deposit date: | 2003-08-14 | | Release date: | 2003-12-16 | | Last modified: | 2012-12-12 | | Method: | SOLUTION NMR | | Cite: | Microcin J25 has a threaded sidechain-to-backbone ring structure and not a head-to-tail cyclized backbone.
J.Am.Chem.Soc., 125, 2003
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1R16
 | | Aplysia ADP ribosyl cyclase with bound pyridylcarbinol and R5P | | Descriptor: | 3-PYRIDINYLCARBINOL, ADP-ribosyl cyclase, ANY 5'-MONOPHOSPHATE NUCLEOTIDE | | Authors: | Love, M.L, Szebenyi, D.M.E, Kriksunov, I.A, Thiel, D.J, Munshi, C, Graeff, R, Lee, H.C, Hao, Q. | | Deposit date: | 2003-09-23 | | Release date: | 2004-03-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | ADP-ribosyl cyclase; crystal structures reveal a covalent intermediate.
Structure, 12, 2004
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1R9F
 | | Crystal structure of p19 complexed with 19-bp small interfering RNA | | Descriptor: | 5'-R(*CP*GP*UP*AP*CP*GP*CP*GP*GP*AP*AP*UP*AP*CP*UP*UP*CP*GP*AP*UP*U)-3', 5'-R(*UP*CP*GP*AP*AP*GP*UP*AP*UP*UP*CP*CP*GP*CP*GP*UP*AP*CP*GP*UP*U)-3', Core protein P19, ... | | Authors: | Ye, K, Malinina, L, Patel, D.J. | | Deposit date: | 2003-10-28 | | Release date: | 2004-01-27 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Recognition of small interfering RNA by a viral suppressor of RNA
Nature, 426, 2003
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1SHT
 | | Crystal Structure of the von Willebrand factor A domain of human capillary morphogenesis protein 2: an anthrax toxin receptor | | Descriptor: | ACETATE ION, Anthrax toxin receptor 2, MAGNESIUM ION | | Authors: | Lacy, D.B, Wigelsworth, D.J, Scobie, H.M, Young, J.A.T, Collier, R.J. | | Deposit date: | 2004-02-26 | | Release date: | 2004-04-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal Structure of the von Willebrand factor A domain of human capillary morphogenesis protein 2: an anthrax toxin receptor
Proc.Natl.Acad.Sci.USA, 101, 2004
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1S72
 | | REFINED CRYSTAL STRUCTURE OF THE HALOARCULA MARISMORTUI LARGE RIBOSOMAL SUBUNIT AT 2.4 ANGSTROM RESOLUTION | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L10e, 50S ribosomal protein L11P, ... | | Authors: | Klein, D.J, Schmeing, T.M, Moore, P.B, Steitz, T.A. | | Deposit date: | 2004-01-28 | | Release date: | 2004-06-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Roles of Ribosomal Proteins in the Structure, Assembly and Evolution of the Large Ribosomal Subunit
J.Mol.Biol., 340, 2004
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