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5PWS	PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 16) Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-08 Release date: 2017-03-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.4 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PX8	PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 32) Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-08 Release date: 2017-03-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.71 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PXP	PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 49) Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-08 Release date: 2017-03-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.86 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PY3	PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 63) Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-08 Release date: 2017-03-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.78 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PYF	PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 75) Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-08 Release date: 2017-03-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.83 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PYU	PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 90) Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-08 Release date: 2017-03-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.74 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PZA	PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 106) Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-08 Release date: 2017-03-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.59 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
3W2C	Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XV Descriptor: 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide, Aurora kinase A Authors: Oliveira, T.M, Kairies, N.A, Engh, R.A. Deposit date: 2012-11-28 Release date: 2014-02-05 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Flexibility and multiple conformations of the activation and glycine rich loops of aurora A accompanying inhibitor binding To be Published
3A2I	Crystal structure of the human vitamin D receptor (H305F) ligand binding domain complexed with TEI-9647 Descriptor: (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one, Vitamin D3 receptor Authors: Kakuda, S, Takimoto-Kamimura, M. Deposit date: 2009-05-20 Release date: 2010-05-26 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (3.27 Å) Cite: Structural basis of the histidine-mediated vitamin D receptor agonistic and antagonistic mechanisms of (23S)-25-dehydro-1alpha-hydroxyvitamin D(3)-26,23-lactone Acta Crystallogr.,Sect.D, 66, 2010
4FUX	Crystal Structure of the ERK2 complexed with E75 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-28 Release date: 2012-08-22 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal Structure of the ERK2 complexed with E75 TO BE PUBLISHED
2PS4	N225D trichodiene synthase Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Trichodiene synthase Authors: Vedula, L.S, Cane, D.E, Christianson, D.W. Deposit date: 2007-05-04 Release date: 2007-12-18 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.46 Å) Cite: Structural and mechanistic analysis of trichodiene synthase using site-directed mutagenesis: probing the catalytic function of tyrosine-295 and the asparagine-225/serine-229/glutamate-233-Mg2+B motif. Arch.Biochem.Biophys., 469, 2008
2WB5	GlcNAcstatins are nanomolar inhibitors of human O-GlcNAcase inducing cellular hyper-O-GlcNAcylation Descriptor: (5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium, CHLORIDE ION, O-GLCNACASE NAGJ, ... Authors: Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, van Aalten, D.M.F. Deposit date: 2009-02-20 Release date: 2009-03-31 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.31 Å) Cite: Glcnacstatins are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation Biochem.J., 420, 2009
4ZRM	Crystal Structure of UDP-Glucose 4-Epimerase (TM0509) from Hyperthermophilic Eubacterium Thermotoga maritima Descriptor: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase Authors: Choi, J.M, Lee, D.W, Lee, S.H. Deposit date: 2015-05-12 Release date: 2015-09-16 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The structural basis of substrate promiscuity in UDP-hexose 4-epimerase from the hyperthermophilic Eubacterium Thermotoga maritima. Arch.Biochem.Biophys., 585, 2015
5PUW	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 210) Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-07 Release date: 2017-03-29 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.82 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PVC	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 226) Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-07 Release date: 2017-03-29 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.56 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
4KV0	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-tosylureido)pyridine-2-sulfonamide inhibitor Descriptor: 5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ... Authors: Ferraroni, M. Deposit date: 2013-05-22 Release date: 2014-06-25 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Combining the tail and the ring approaches for obtaining potent and isoform-selective carbonic anhydrase inhibitors: solution and X-ray crystallographic studies. Bioorg.Med.Chem., 22, 2014
4PJ2	Crystal structure of Aeromonas hydrophila PliI in complex with Meretrix lusoria lysozyme Descriptor: GLYCEROL, Lysozyme, MAGNESIUM ION, ... Authors: Leysen, S, Van Herreweghe, J.M, Yoneda, K, Ogata, M, Usui, T, Michiels, C.W, Araki, T, Strelkov, S.V. Deposit date: 2014-05-10 Release date: 2015-02-11 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.24 Å) Cite: The structure of the proteinaceous inhibitor PliI from Aeromonas hydrophila in complex with its target lysozyme. Acta Crystallogr.,Sect.D, 71, 2015
5PVS	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 243) Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-07 Release date: 2017-03-29 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.55 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PW8	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 259) Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-07 Release date: 2017-03-29 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.08 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PX7	PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 31) Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-08 Release date: 2017-03-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.74 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PXN	PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 47) Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-08 Release date: 2017-03-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.43 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PY4	PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 64) Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-08 Release date: 2017-03-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.67 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PYM	PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 82) Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-08 Release date: 2017-03-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
4G1Y	Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor Descriptor: (4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A Authors: Ciesielski, F, Sato, Y, Moras, D, Rochel, N. Deposit date: 2012-07-11 Release date: 2012-09-26 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
5PZ0	PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 96) Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-08 Release date: 2017-03-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.13 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017

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