4BV5
 
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | Descriptor: | 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide, APOLIPOPROTEIN(A) | | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | Deposit date: | 2013-06-25 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
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5TTW
 | | Crystal Structure of EED in Complex with UNC4859 | | Descriptor: | Polycomb protein EED, SULFATE ION, UNC4859, ... | | Authors: | The, J, Barnash, K.D, Brown, P.J, Edwards, A.M, Bountra, C, Frye, S.V, James, L.I, Arrowsmith, C.H. | | Deposit date: | 2016-11-04 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery of Peptidomimetic Ligands of EED as Allosteric Inhibitors of PRC2.
ACS Comb Sci, 19, 2017
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4YW3
 | | Crystal Structure of Streptococcus pneumoniae NanC, complex with Neu5Ac and Neu5Ac2en following soaking with Neu5Ac2en | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | | Deposit date: | 2015-03-20 | | Release date: | 2015-09-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
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4YVZ
 | | Structure of Thermotoga maritima DisA in complex with 3'-dATP/Mn2+ | | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, DNA integrity scanning protein DisA, MANGANESE (II) ION | | Authors: | Mueller, M, Deimling, T, Hopfner, K.-P, Witte, G. | | Deposit date: | 2015-03-20 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.495 Å) | | Cite: | Structural analysis of the diadenylate cyclase reaction of DNA-integrity scanning protein A (DisA) and its inhibition by 3'-dATP.
Biochem.J., 469, 2015
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1W7J
 | | Crystal Structure Of Myosin V Motor With Essential Light Chain + ADP-BeFx - Near Rigor | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Coureux, P.-D, Sweeney, H.L, Houdusse, A. | | Deposit date: | 2004-09-03 | | Release date: | 2005-02-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three Myosin V Structures Delineate Essential Features of Chemo-Mechanical Transduction
Embo J., 23, 2004
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8P52
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4Z42
 | | Crystal structure of urease from Yersinia enterocolitica | | Descriptor: | NICKEL (II) ION, Urease subunit alpha, Urease subunit beta, ... | | Authors: | Studer, G, Jakob, R.P, Mahi, M.A, Wiesand, U, Schwede, T, Maier, T. | | Deposit date: | 2015-04-01 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Crystal structure of urease from Yersinia enterocolitica
To Be Published
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3G5F
 | | Crystallographic analysis of cytochrome P450 cyp121 | | Descriptor: | Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Belin, P, Le Du, M.H, Gondry, M. | | Deposit date: | 2009-02-05 | | Release date: | 2009-04-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 106, 2009
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4YXM
 | | Structure of Thermotoga maritima DisA D75N mutant with reaction product c-di-AMP | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA integrity scanning protein DisA | | Authors: | Mueller, M, Deimling, T, Hopfner, K.-P, Witte, G. | | Deposit date: | 2015-03-23 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural analysis of the diadenylate cyclase reaction of DNA-integrity scanning protein A (DisA) and its inhibition by 3'-dATP.
Biochem.J., 469, 2015
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5QQQ
 | | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434857 | | Descriptor: | 3-[(thiomorpholin-4-yl)methyl]phenol, 5-aminolevulinate synthase, erythroid-specific, ... | | Authors: | Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. | | Deposit date: | 2019-05-22 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QRA
 | | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1101755952 | | Descriptor: | 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... | | Authors: | Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. | | Deposit date: | 2019-05-22 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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4EO1
 | | crystal structure of the TolA binding domain from the filamentous phage IKe | | Descriptor: | Attachment protein G3P, MAGNESIUM ION | | Authors: | Jakob, R.P, Geitner, A.J, Weininger, U, Balbach, J, Dobbek, H, Schmid, F.X. | | Deposit date: | 2012-04-13 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and energetic basis of infection by the filamentous bacteriophage IKe.
Mol.Microbiol., 84, 2012
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3DTK
 | | Crystal structure of the IRRE protein, a central regulator of DNA damage repair in deinococcaceae | | Descriptor: | CHLORIDE ION, IRRE PROTEIN, ZINC ION | | Authors: | Vujicic-Zagar, A, Dulermo, R, Le Gorrec, M, Vannier, F, Servant, P, Sommer, S, de Groot, A, Serre, L. | | Deposit date: | 2008-07-15 | | Release date: | 2009-02-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Crystal structure of the IrrE protein, a central regulator of DNA damage repair in deinococcaceae
J.Mol.Biol., 386, 2009
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8BP8
 | | SPA of Trypsin untreated Rotavirus TLP spike | | Descriptor: | CALCIUM ION, Inner capsid protein VP2, Intermediate capsid protein VP6, ... | | Authors: | Shah, P.N.M, Stuart, D.I. | | Deposit date: | 2022-11-16 | | Release date: | 2023-04-05 | | Last modified: | 2023-04-26 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Cell Host Microbe, 31, 2023
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2HTH
 | | Structural basis for ubiquitin recognition by the human EAP45/ESCRT-II GLUE domain | | Descriptor: | Ubiquitin, Vacuolar protein sorting protein 36 | | Authors: | Alam, S.L, Whitby, F.G, Hill, C.P, Sundquist, W.I. | | Deposit date: | 2006-07-25 | | Release date: | 2006-10-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for ubiquitin recognition by the human ESCRT-II EAP45 GLUE domain.
Nat.Struct.Mol.Biol., 13, 2006
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4EHN
 | | Allosteric Modulation of Caspase-3 through Mutagenesis | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | | Authors: | Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. | | Deposit date: | 2012-04-02 | | Release date: | 2012-06-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
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3DV4
 | | Crystal structure of SAG506-01, tetragonal, crystal 1 | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ... | | Authors: | Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V. | | Deposit date: | 2008-07-18 | | Release date: | 2008-12-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments.
Acta Crystallogr.,Sect.D, 64, 2008
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1UWI
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4EIF
 | | Crystal structure of cytochrome c6C L50Q mutant from Synechococcus sp. PCC 7002 | | Descriptor: | CHLORIDE ION, Cytochrome c6, HEME C, ... | | Authors: | Krzywda, S, Bialek, W, Zatwarnicki, P, Jaskolski, M, Szczepaniak, A. | | Deposit date: | 2012-04-05 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Cytochrome c6 and c6C from Synechococcus sp. PCC 7002 - structure and function.
To be Published
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1UVZ
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5U7M
 | | Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-378806 in Complex with Human Antibodies PGT122 and 35O22 at 3.8 Angstrom | | Descriptor: | 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pancera, M, Lai, Y.-T, Kwong, P.D. | | Deposit date: | 2016-12-12 | | Release date: | 2017-08-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.025 Å) | | Cite: | Crystal structures of trimeric HIV envelope with entry inhibitors BMS-378806 and BMS-626529.
Nat. Chem. Biol., 13, 2017
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8OX6
 | | Cryo-EM structure of ATP8B1-CDC50A in E1P conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, MAGNESIUM ION, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.39 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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5QOS
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1187701032 | | Descriptor: | (3S)-N-(pyrimidin-2-yl)azepan-3-amine, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. | | Deposit date: | 2019-02-22 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QHS
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FF000014a | | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-3-oxidanyl-pyridin-2-one, Protein FAM83B | | Authors: | Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N. | | Deposit date: | 2018-05-18 | | Release date: | 2018-12-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5QID
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z1787627869 | | Descriptor: | 5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | | Authors: | MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | | Deposit date: | 2018-05-22 | | Release date: | 2018-07-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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