1NXG
 
 | | The F383A variant of type II Citrate Synthase complexed with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Citrate synthase, SULFATE ION | | Authors: | Maurus, R, Nguyen, N.T, Stokell, D.J, Ayed, A, Hultin, P.G, Duckworth, H.W, Brayer, G.D. | | Deposit date: | 2003-02-10 | | Release date: | 2003-04-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights into the evolution of allosteric properties. The NADH binding site of hexameric type II citrate synthases.
Biochemistry, 42, 2003
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4ENB
 | | Crystal structure of fluoride riboswitch, bound to Iridium | | Descriptor: | FLUORIDE ION, Fluoride riboswitch, IRIDIUM HEXAMMINE ION, ... | | Authors: | Ren, A.M, Rajashankar, K.R, Patel, D.J. | | Deposit date: | 2012-04-12 | | Release date: | 2012-05-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
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1O6Q
 | | Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE, SQUALENE--HOPENE CYCLASE | | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | | Deposit date: | 2002-10-13 | | Release date: | 2003-10-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
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4XEF
 | | Pyk2-FAT complexed with Leupaxin LD motif LD1 | | Descriptor: | 20-mer peptide containing LD1 motif of leupaxin, Protein-tyrosine kinase 2-beta | | Authors: | Miller, D.J. | | Deposit date: | 2014-12-23 | | Release date: | 2015-12-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for the Interaction between Pyk2-FAT Domain and Leupaxin LD Repeats.
Biochemistry, 55, 2016
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4XEV
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207D
 | | SOLUTION STRUCTURE OF MITHRAMYCIN DIMERS BOUND TO PARTIALLY OVERLAPPING SITES ON DNA | | Descriptor: | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYROXY-7-METHYLANTHRACENE, 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranose-(1-3)-2,6-dideoxy-beta-D-galactopyranose-(1-3)-beta-D-Olivopyranose, DNA (5'-D(*TP*AP*GP*CP*TP*AP*GP*CP*TP*A)-3'), ... | | Authors: | Sastry, M, Fiala, R, Patel, D.J. | | Deposit date: | 1995-04-20 | | Release date: | 1995-09-15 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of mithramycin dimers bound to partially overlapping sites on DNA.
J.Mol.Biol., 251, 1995
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4EB0
 | | Crystal structure of Leaf-branch compost bacterial cutinase homolog | | Descriptor: | LCC, THIOCYANATE ION | | Authors: | Sulaiman, S, You, D.J, Eiko, K, Koga, Y, Kanaya, S. | | Deposit date: | 2012-03-23 | | Release date: | 2013-03-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of Leaf-branch compost bacterial cutinase homolog
To be Published
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2A90
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6QLW
 | | Cathepsin-K in complex with MIV-710 | | Descriptor: | CHLORIDE ION, Cathepsin K, SODIUM ION, ... | | Authors: | Derbyshire, D.J. | | Deposit date: | 2019-02-01 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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4XHK
 | | PIM1 kinase in complex with Compound 1s | | Descriptor: | 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1 | | Authors: | Marcotte, D.J, Silvian, L.F. | | Deposit date: | 2015-01-05 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based design of low-nanomolar PIM kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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1Z2W
 | | Crystal structure of mouse Vps29 complexed with Mn2+ | | Descriptor: | GLYCEROL, MANGANESE (II) ION, Vacuolar protein sorting 29 | | Authors: | Collins, B.M, Skinner, C.F, Watson, P.J, Seaman, M.N.J, Owen, D.J. | | Deposit date: | 2005-03-10 | | Release date: | 2005-06-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Vps29 has a phosphoesterase fold that acts as a protein interaction scaffold for retromer assembly
NAT.STRUCT.MOL.BIOL., 12, 2005
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1ZH5
 | | Structural basis for recognition of UUUOH 3'-terminii of nascent RNA pol III transcripts by La autoantigen | | Descriptor: | 5'-R(*UP*GP*CP*UP*GP*UP*UP*UP*U)-3', Lupus La protein, SULFATE ION | | Authors: | Teplova, M, Yuan, Y.R, Ilin, S, Malinina, L, Phan, A.T, Teplov, A, Patel, D.J. | | Deposit date: | 2005-04-22 | | Release date: | 2006-01-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Basis for Recognition and Sequestration of UUU(OH) 3' Temini of Nascent RNA Polymerase III Transcripts by La, a Rheumatic Disease Autoantigen.
Mol.Cell, 21, 2006
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4FG2
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4FG4
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6Q3F
 | | CDK2 in complex with FragLite2 | | Descriptor: | 4-bromanylpyridin-2-amine, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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1R6X
 | | The Crystal Structure of a Truncated Form of Yeast ATP Sulfurylase, Lacking the C-Terminal APS Kinase-like Domain, in complex with Sulfate | | Descriptor: | ATP:sulfate adenylyltransferase, COBALT (II) ION, SULFATE ION | | Authors: | Lalor, D.J, Schnyder, T, Saridakis, V, Pilloff, D.E, Dong, A, Tang, H, Leyh, T.S, Pai, E.F. | | Deposit date: | 2003-10-17 | | Release date: | 2003-11-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and functional analysis of a truncated form of Saccharomyces cerevisiae ATP sulfurylase: C-terminal domain essential for oligomer formation but not for activity
Protein Eng., 16, 2003
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4FQO
 | | Crystal Structure of Calcium-Loaded S100B Bound to SBi4211 | | Descriptor: | 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide, CALCIUM ION, Protein S100-B | | Authors: | McKnight, L.E, Raman, E.P, Bezawada, P, Kudrimoti, S, Wilder, P.T, Hartman, K.G, Toth, E.A, Coop, A, MacKerrell, A.D, Weber, D.J. | | Deposit date: | 2012-06-25 | | Release date: | 2012-10-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.
ACS Med Chem Lett, 3, 2012
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1ZA8
 | | NMR solution structure of a leaf-specific-expressed cyclotide vhl-1 | | Descriptor: | vhl-1 | | Authors: | Chen, B, Colgrave, M.L, Daly, N.L, Rosengren, K.J, Gustafson, K.R, Craik, D.J. | | Deposit date: | 2005-04-05 | | Release date: | 2005-04-12 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Isolation and characterization of novel cyclotides from Viola hederaceae: solution structure and anti-HIV activity of vhl-1, a leaf-specific expressed cyclotide.
J.Biol.Chem., 280, 2005
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1ODS
 | | Cephalosporin C deacetylase from Bacillus subtilis | | Descriptor: | CEPHALOSPORIN C DEACETYLASE, CHLORIDE ION, MAGNESIUM ION | | Authors: | Vincent, F, Charnock, S.J, Verschueren, K.H.G, Turkenburg, J.P, Scott, D.J, Offen, W.A, Roberts, S, Pell, G, Gilbert, H.J, Brannigan, J.A, Davies, G.J. | | Deposit date: | 2003-02-20 | | Release date: | 2003-07-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multifunctional Xylooligosaccharide/Cephalosporin C Deacetylase Revealed by the Hexameric Structure of the Bacillus Subtilis Enzyme at 1.9A Resolution
J.Mol.Biol., 330, 2003
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1OB8
 | | Holliday Junction Resolving Enzyme | | Descriptor: | 1,2-ETHANEDIOL, HOLLIDAY-JUNCTION RESOLVASE, SULFATE ION | | Authors: | Middleton, C.L, Parker, J.L, Richard, D.J, White, M.F, Bond, C.S. | | Deposit date: | 2003-01-28 | | Release date: | 2004-10-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Substrate Recognition and Catalysis by the Holliday Junction Resolving Enzyme Hje.
Nucleic Acids Res., 32, 2004
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1O6R
 | | Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN-6-YLOXY]-HEXYL-}-METHYL-AMIN, SQUALENE--HOPENE CYCLASE | | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | | Deposit date: | 2002-10-13 | | Release date: | 2003-10-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
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6Q4D
 | | CDK2 in complex with FragLite31 | | Descriptor: | 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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1OJN
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7UJC
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7UJ8
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