7XIY
 
 | | SARS-CoV-2 Omicron BA.3 variant spike | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, X, Wang, L. | | Deposit date: | 2022-04-14 | | Release date: | 2022-07-13 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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7I20
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with NegAcid3-Am02 | | Descriptor: | 1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | Deposit date: | 2025-02-20 | | Release date: | 2025-03-05 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7I21
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with NegAcid3-Am03 | | Descriptor: | 1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one, DIMETHYL SULFOXIDE, SULFATE ION, ... | | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Balaji, G, Phelps, J, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | Deposit date: | 2025-02-20 | | Release date: | 2025-03-05 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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3EP9
 | | Human AdoMetDC with no putrescine bound | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRUVIC ACID, S-adenosylmethionine decarboxylase alpha chain, ... | | Authors: | Bale, S, Lopez, M.M, Makhatadze, G.I, Fang, Q, Pegg, A.E, Ealick, S.E. | | Deposit date: | 2008-09-29 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase.
Biochemistry, 47, 2008
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2IPH
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4QNJ
 | | The structure of wt A. thaliana IGPD2 in complex with Mn2+ and formate at 1.3A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R, Hawkes, T.R, Baker, P.J, Rice, D.W. | | Deposit date: | 2014-06-18 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination.
Structure, 23, 2015
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4B5S
 | | Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with pyruvate | | Descriptor: | 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, COBALT (II) ION, D-Glyceraldehyde, ... | | Authors: | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | | Deposit date: | 2012-08-07 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
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7DIF
 | | GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol at 1.75-angstrom resolution | | Descriptor: | (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, POTASSIUM ION, ... | | Authors: | Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S. | | Deposit date: | 2020-11-19 | | Release date: | 2021-01-27 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4QO4
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3EO2
 | | Crystal structure of the RhoGEF domain of human neuroepithelial cell-transforming gene 1 protein | | Descriptor: | Neuroepithelial cell-transforming gene 1 protein, UNKNOWN ATOM OR ION | | Authors: | Nedyalkova, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-09-26 | | Release date: | 2008-10-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the RhoGEF domain of human neuroepithelial cell-transforming gene 1 protein
To be Published
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2XYU
 | | Crystal structure of EphA4 kinase domain in complex with VUF 12058 | | Descriptor: | 5-(5-FLUORO-2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[3,4-C]ISOQUINOLIN-1-AMINE, EPHRIN TYPE-A RECEPTOR 4,, GLYCEROL | | Authors: | Farenc, C.J.A, Celie, P.H.N, vanLinden, O.P.J, Siegal, G. | | Deposit date: | 2010-11-19 | | Release date: | 2011-11-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.117 Å) | | Cite: | Fragment Based Lead Discovery of Small Molecule Inhibitors for the Epha4 Receptor Tyrosine Kinase.
Eur.J.Med.Chem., 47, 2012
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4F3V
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1T4B
 | | 1.6 Angstrom structure of Esherichia coli aspartate-semialdehyde dehydrogenase. | | Descriptor: | Aspartate-semialdehyde dehydrogenase, SODIUM ION | | Authors: | Nichols, C.E, Dhaliwal, B, Lockyer, M, Hawkins, A.R, Stammers, D.K. | | Deposit date: | 2004-04-29 | | Release date: | 2004-07-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High-resolution Structures Reveal Details of Domain Closure and "Half-of-sites-reactivity" in Escherichia coli Aspartate beta-Semialdehyde Dehydrogenase.
J.Mol.Biol., 341, 2004
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3TQ4
 | | Crystal structure of M-PMV dUTPase with a mixed population of substrate (dUPNPP) and post-inversion product (dUMP) in the active sites | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Barabas, O, Nemeth, V, Vertessy, B.G. | | Deposit date: | 2011-09-09 | | Release date: | 2011-10-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Snapshots of Enzyme-Catalysed Phosphate Ester Hydrolysis Directly Visualize In-line Attack and Inversion
to be published
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5EFH
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with trifluoroketone transition state analogue | | Descriptor: | 1,2-ETHANEDIOL, 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, BROMIDE ION, ... | | Authors: | Hai, Y, Christianson, D.W. | | Deposit date: | 2015-10-23 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.162 Å) | | Cite: | Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
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1BVM
 | | SOLUTION NMR STRUCTURE OF BOVINE PANCREATIC PHOSPHOLIPASE A2, 20 STRUCTURES | | Descriptor: | PROTEIN (PHOSPHOLIPASE A2) | | Authors: | Yuan, C.-H, Byeon, I.-J.L, Li, Y, Tsai, M.-D. | | Deposit date: | 1998-09-14 | | Release date: | 1999-09-16 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Structural analysis of phospholipase A2 from functional perspective. 1. Functionally relevant solution structure and roles of the hydrogen-bonding network.
Biochemistry, 38, 1999
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2Y5J
 | | Crystal structure of Burkholderia cenocepacia dihydropteroate synthase. | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROPTEROATE SYNTHASE | | Authors: | Morgan, R.E, Batot, G.O, Dement, J.M, Rao, V.A, Eadsforth, T.C, Hunter, W.N. | | Deposit date: | 2011-01-13 | | Release date: | 2011-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal Structures of Burkholderia Cenocepacia Dihydropteroate Synthase in the Apo-Form and Complexed with the Product 7,8-Dihydropteroate.
Bmc Struct.Biol., 11, 2011
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5T2L
 | | mPI3Kd IN COMPLEX WITH 7l | | Descriptor: | 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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2V0R
 | | crystal structure of a hairpin exchange variant (LTx) of the targeting LINE-1 retrotransposon endonuclease | | Descriptor: | LTX, SULFATE ION | | Authors: | Repanas, K, Zingler, N, Layer, L.E, Schumann, G.G, Perrakis, A, Weichenrieder, O. | | Deposit date: | 2007-05-17 | | Release date: | 2007-07-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Determinants for DNA Target Structure Selectivity of the Human Line-1 Retrotransposon Endonuclease
Nucleic Acids Res., 35, 2007
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1KMT
 | | Crystal structure of RhoGDI Glu(154,155)Ala mutant | | Descriptor: | Rho GDP-dissociation inhibitor 1 | | Authors: | Mateja, A, Devedjiev, Y, Krowarsh, D, Longenecker, K, Dauter, Z, Otlewski, J, Derewenda, Z.S. | | Deposit date: | 2001-12-17 | | Release date: | 2002-12-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The impact of Glu-->Ala and Glu-->Asp mutations on the crystallization properties of RhoGDI: the structure of RhoGDI at 1.3 A resolution.
Acta Crystallogr.,Sect.D, 58, 2002
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1BK1
 | | ENDO-1,4-BETA-XYLANASE C | | Descriptor: | ENDO-1,4-B-XYLANASE C | | Authors: | Fushinobu, S, Ito, K, Konno, M, Wakagi, T, Matsuzawa, H. | | Deposit date: | 1998-07-14 | | Release date: | 1999-01-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic and mutational analyses of an extremely acidophilic and acid-stable xylanase: biased distribution of acidic residues and importance of Asp37 for catalysis at low pH.
Protein Eng., 11, 1998
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4L8P
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6GFF
 | | Structure of GARP (LRRC32) in complex with latent TGF-beta1 and MHG-8 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat-containing protein 32, MHG-8 Fab heavy chain, ... | | Authors: | Merceron, R, Lienart, S, Vanderaa, C, Colau, D, Stockis, J, Van Der Woning, B, De Haard, H, Saunders, M, Coulie, P.G, Savvides, S.N, Lucas, S. | | Deposit date: | 2018-04-30 | | Release date: | 2018-11-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis of latent TGF-beta 1 presentation and activation by GARP on human regulatory T cells.
Science, 362, 2018
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4QG1
 | | Crystal structure of the tetrameric GTP/dATP-bound SAMHD1 (RN206) mutant catalytic core | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Koharudin, L.M.I, Wu, Y, DeLucia, M, Mehrens, J, Gronenborn, A.M, Ahn, J. | | Deposit date: | 2014-05-22 | | Release date: | 2014-10-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of Allosteric Activation of Sterile alpha Motif and Histidine-Aspartate Domain-containing Protein 1 (SAMHD1) by Nucleoside Triphosphates.
J.Biol.Chem., 289, 2014
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3TO9
 | | Crystal structure of yeast Esa1 E338Q HAT domain bound to coenzyme A with active site lysine acetylated | | Descriptor: | 1,2-ETHANEDIOL, CACODYLIC ACID, COENZYME A, ... | | Authors: | Yuan, H, Ding, E.C, Marmorstein, R. | | Deposit date: | 2011-09-04 | | Release date: | 2011-11-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
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