PDB: 92869 resultsInfo pagesStatus searchChemie searchBIRD

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4ZV8	Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene Descriptor: (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... Authors: Liu, J, Shah, M.B, Stout, C.D, Halpert, J.R. Deposit date: 2015-05-18 Release date: 2016-03-30 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.24 Å) Cite: Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry, 55, 2016
3KWA	Polyamines inhibit carbonic anhydrases Descriptor: Carbonic anhydrase 2, MERCURY (II) ION, SPERMINE, ... Authors: Temperini, C. Deposit date: 2009-12-01 Release date: 2010-07-14 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule J.Med.Chem., 53, 2010
4GK2	Human EphA3 Kinase domain in complex with ligand 66 Descriptor: 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3 Authors: Dong, J, Caflisch, A. Deposit date: 2012-08-10 Release date: 2013-01-23 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.195 Å) Cite: Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography. J.Med.Chem., 56, 2013
1LXT	STRUCTURE OF PHOSPHOTRANSFERASE PHOSPHOGLUCOMUTASE FROM RABBIT Descriptor: CADMIUM ION, PHOSPHOGLUCOMUTASE (DEPHOSPHO FORM), SULFATE ION Authors: Ray Junior, W.J, Baranidharan, S, Liu, Y. Deposit date: 1996-07-28 Release date: 1997-02-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structure of rabbit muscle phosphoglucomutase refined at 2.4 A resolution. Acta Crystallogr.,Sect.D, 53, 1997
3DNO	Molecular structure for the HIV-1 gp120 trimer in the CD4-bound state Descriptor: HIV-1 envelope glycoprotein gp120 Authors: Borgnia, M.J, Liu, J, Bartesaghi, A, Sapiro, G, Subramaniam, S. Deposit date: 2008-07-02 Release date: 2008-08-19 Last modified: 2018-07-18 Method: ELECTRON MICROSCOPY (20 Å) Cite: Molecular architecture of native HIV-1 gp120 trimers. Nature, 455, 2008
3DZ2	Human AdoMetDC with 5'-[(3-aminopropyl)methylamino]-5'deoxy-8-methyladenosine Descriptor: 1,4-DIAMINOBUTANE, 5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine, S-adenosylmethionine decarboxylase alpha chain, ... Authors: Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. Deposit date: 2008-07-29 Release date: 2009-03-10 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.86 Å) Cite: New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem., 52, 2009
4GK4	Human EphA3 Kinase domain in complex with ligand 90 Descriptor: 8-butyl-1-methyl-7-(5-methyl-1H-indazol-4-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3 Authors: Dong, J, Caflisch, A. Deposit date: 2012-08-10 Release date: 2013-01-23 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography. J.Med.Chem., 56, 2013
5AB0	Crystal structure of aminopeptidase ERAP2 with ligand Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Mpakali, A, Giastas, P, Saridakis, E, Stratikos, E. Deposit date: 2015-07-31 Release date: 2015-09-30 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structural Basis for Antigenic Peptide Recognition and Processing by Endoplasmic Reticulum (Er) Aminopeptidase 2. J.Biol.Chem., 290, 2015
5ABG	Structure of GH84 with ligand Descriptor: 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ... Authors: Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R. Deposit date: 2015-08-05 Release date: 2015-11-18 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2 Å) Cite: A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors. Angew.Chem.Int.Ed.Engl., 54, 2015
3DZ4	Human AdoMetDC with 5'-[(2-carboxamidoethyl)methylamino]-5'-deoxy-8-methyladenosine Descriptor: 1,4-DIAMINOBUTANE, 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid e, S-adenosylmethionine decarboxylase alpha chain, ... Authors: Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. Deposit date: 2008-07-29 Release date: 2009-03-10 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.84 Å) Cite: New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem., 52, 2009
5Q3A	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 38) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.48 Å) Cite: PanDDA analysis group deposition To Be Published
5Q4G	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 81) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.75 Å) Cite: PanDDA analysis group deposition To Be Published
1MAF	The Active Site Structure of Methylamine Dehydrogenase: Hydrazines Identify C6 as the Reactive Site of the Tryptophan Derived Quinone Cofactor Descriptor: METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT), METHYLAMINE DEHYDROGENASE (LIGHT SUBUNIT), NITROGEN MOLECULE Authors: Huizinga, E.G, Vellieux, F.M.D, Hol, W.G.J. Deposit date: 1992-05-20 Release date: 1994-01-31 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Active site structure of methylamine dehydrogenase: hydrazines identify C6 as the reactive site of the tryptophan-derived quinone cofactor. Biochemistry, 31, 1992
5Q3R	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 55) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: PanDDA analysis group deposition To Be Published
5Q4Z	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 100) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.6 Å) Cite: PanDDA analysis group deposition To Be Published
5Q45	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 70) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.64 Å) Cite: PanDDA analysis group deposition To Be Published
5Q5D	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 114) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.71 Å) Cite: PanDDA analysis group deposition To Be Published
5Q4M	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 87) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.6 Å) Cite: PanDDA analysis group deposition To Be Published
5Q5T	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 130) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: PanDDA analysis group deposition To Be Published
1MAE	The Active Site Structure of Methylamine Dehydrogenase: Hydrazines Identify C6 as the Reactive Site of the Tryptophan Derived Quinone Cofactor Descriptor: METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT), METHYLAMINE DEHYDROGENASE (LIGHT SUBUNIT), NITROGEN MOLECULE Authors: Huizinga, E.G, Vellieux, F.M.D, Hol, W.G.J. Deposit date: 1992-05-20 Release date: 1994-01-31 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Active site structure of methylamine dehydrogenase: hydrazines identify C6 as the reactive site of the tryptophan-derived quinone cofactor. Biochemistry, 31, 1992
5Q6B	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 148) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.62 Å) Cite: PanDDA analysis group deposition To Be Published
5Q51	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 102) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.34 Å) Cite: PanDDA analysis group deposition To Be Published
5Q5M	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 123) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.57 Å) Cite: PanDDA analysis group deposition To Be Published
5Q60	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 137) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.4 Å) Cite: PanDDA analysis group deposition To Be Published
1O6F	PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, D641A MUTANT WITH BOUND PEPTIDE LIGAND SUC-GLY-PRO Descriptor: GLYCEROL, GLYCINE, PROLINE, ... Authors: Rea, D, Fulop, V. Deposit date: 2002-09-15 Release date: 2002-11-18 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Substrate-dependent competency of the catalytic triad of prolyl oligopeptidase. J. Biol. Chem., 277, 2002

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