4F1J
 
 | | Crystal structure of the MG2+ loaded VWA domain of plasmodium falciparum trap protein | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Pihlajamaa, T, Knuuti, J, Kajander, T, Sharma, A, Permi, P. | | Deposit date: | 2012-05-07 | | Release date: | 2013-01-30 | | Last modified: | 2013-05-22 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure of Plasmodium falciparum TRAP (thrombospondin-related anonymous protein) A domain highlights distinct features in apicomplexan von Willebrand factor A homologues.
Biochem.J., 450, 2013
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6F7H
 | | Crystal structure of human AQP10 | | Descriptor: | Aquaporin-10, GLYCEROL, nonyl beta-D-glucopyranoside | | Authors: | Gotfryd, K, Wang, K, Missel, J.W, Pedersen, P.A, Gourdon, P. | | Deposit date: | 2017-12-08 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Human adipose glycerol flux is regulated by a pH gate in AQP10.
Nat Commun, 9, 2018
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6MEN
 | | Crystal structure of a Tylonycteris bat coronavirus HKU4 macrodomain in complex with adenosine diphosphate glucose (ADP-glucose) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE-GLUCOSE, Replicase polyprotein 1ab | | Authors: | Hammond, R.G, Schormann, N, McPherson, R.L, Leung, A.K.L, Deivanayagam, C.C.S, Johnson, M.A. | | Deposit date: | 2018-09-06 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | ADP-Ribose and Analogues bound to the DeMARylating Macrodomain from the Bat Coronavirus HKU4
Proc.Natl.Acad.Sci.USA, 2021
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4Y41
 | | Endothiapepsin in complex with fragment 112 | | Descriptor: | (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.403 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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3LWA
 | | The Crystal Structure of a Secreted Thiol-disulfide Isomerase from Corynebacterium glutamicum to 1.75A | | Descriptor: | CALCIUM ION, Secreted thiol-disulfide isomerase | | Authors: | Stein, A.J, Weger, A, Hendricks, R, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-02-23 | | Release date: | 2010-03-02 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Crystal Structure of a Secreted Thiol-disulfide Isomerase from Corynebacterium glutamicum to 1.75A
To be Published
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6F84
 | | AKR1B1 at 2.55 MGy radiation dose. | | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Castellvi, A, Juanhuix, J. | | Deposit date: | 2017-12-12 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
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7JYD
 | | Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2 | | Descriptor: | 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | D'Agostino, E.H, Mays, S.G, Ortlund, E.A. | | Deposit date: | 2020-08-30 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
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8B4H
 | | IstA transposase cleaved donor complex | | Descriptor: | DNA (55-MER) / right IS21 transposon end (insertion sequence IS5376), DNA (57-MER) / right IS21 transposon end (insertion sequence IS5376), MAGNESIUM ION, ... | | Authors: | Spinola-Amilibia, M, de la Gandara, A, Araujo-Bazan, L, Berger, J.M, Arias-Palomo, E. | | Deposit date: | 2022-09-20 | | Release date: | 2023-05-03 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | IS21 family transposase cleaved donor complex traps two right-handed superhelical crossings.
Nat Commun, 14, 2023
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7US6
 | | Structure of the human coronavirus CCoV-HuPn-2018 spike glycoprotein with domain 0 in the proximal conformation | | 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: | Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2022-04-23 | | Release date: | 2022-08-24 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure, receptor recognition, and antigenicity of the human coronavirus CCoV-HuPn-2018 spike glycoprotein.
Cell, 185, 2022
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4Y3X
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3LV8
 | | 1.8 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with TMP, thymidine-5'-diphosphate and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-02-19 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1.8 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with TMP, thymidine-5'-diphosphate and ADP
To be Published
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5MPD
 | | 26S proteasome in presence of ATP (s1) | | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ... | | Authors: | Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E. | | Deposit date: | 2016-12-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4Y5E
 | | Endothiapepsin in complex with fragment 268 | | Descriptor: | (2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Wang, X, Heine, A, Klebe, G. | | Deposit date: | 2015-02-11 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.116 Å) | | Cite: | Crystallographic Fragment Sreening of an Entire Library
to be published
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7Z54
 | | Crystal structure of YTHDF2 with compound YLI_DC1_006 | | Descriptor: | 9-cyclopropyl-~{N}-methyl-purin-6-amine, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nai, F, Li, Y, Dolbois, A, Caflisch, A. | | Deposit date: | 2022-03-07 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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4Y5N
 | | Endothiapepsin in complex with fragment 337 | | Descriptor: | 1,2-ETHANEDIOL, 6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | | Authors: | Fu, K, Heine, A, Klebe, G. | | Deposit date: | 2015-02-11 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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6EZ6
 | | PI3 kinase delta in complex with Methyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylate | | Authors: | Convery, M.A, Campos, S, Dalton, S.E. | | Deposit date: | 2017-11-14 | | Release date: | 2017-12-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Selectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition.
J. Am. Chem. Soc., 140, 2018
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6SO5
 | | Homo sapiens WRB/CAML heterotetramer in complex with a TRC40 dimer | | Descriptor: | ATPase ASNA1, Calcium signal-modulating cyclophilin ligand, Tail-anchored protein insertion receptor WRB, ... | | Authors: | McDowell, M.A, Heimes, M, Wild, K, Flemming, D, Sinning, I. | | Deposit date: | 2019-08-29 | | Release date: | 2020-09-09 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural Basis of Tail-Anchored Membrane Protein Biogenesis by the GET Insertase Complex.
Mol.Cell, 80, 2020
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6SOR
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6BDN
 | | Crystal structure of human TAO3 kinase binding ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Aleshin, A.E, Bankton, L.A, Pinkerton, A, Courtneidge, S.A, Liddington, R.C. | | Deposit date: | 2017-10-23 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of human TAO3 kinase binding ADP
To Be Published
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6EZP
 | | CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide | | Descriptor: | (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, Cathepsin L1, GLYCEROL | | Authors: | Banner, D.W, Benz, J, Kuglstatter, A. | | Deposit date: | 2017-11-16 | | Release date: | 2018-04-11 | | Last modified: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
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8WNP
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5JOP
 | | Crystal structure of anti-glycan antibody Fab14.22 in complex with Streptococcus pneumoniae serotype 14 tetrasaccharide at 1.75 A | | Descriptor: | Fab 14.22 light chain, Fab14.22 heavy chain, GLYCEROL, ... | | Authors: | Sarkar, A, Irimia, A, Teyton, L, Wilson, I.A. | | Deposit date: | 2016-05-02 | | Release date: | 2017-03-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | T cells control the generation of nanomolar-affinity anti-glycan antibodies.
J. Clin. Invest., 127, 2017
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5JP2
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3LXC
 | | Interconversion of Human Lysosomal Enzyme Specificities | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-galactosidase A, GLYCEROL, ... | | Authors: | Tomasic, I.B, Metcalf, M.C, Guce, A.I, Clark, N.E, Garman, S.C. | | Deposit date: | 2010-02-25 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Interconversion of the specificities of human lysosomal enzymes associated with Fabry and Schindler diseases.
J.Biol.Chem., 285, 2010
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5KDT
 | | Structure of the human GluN1/GluN2A LBD in complex with GNE0723 | | Descriptor: | (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile, ACETATE ION, GLUTAMIC ACID, ... | | Authors: | Wallweber, H.J.A, Lupardus, P.J. | | Deposit date: | 2016-06-08 | | Release date: | 2016-07-13 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J. Med. Chem., 59, 2016
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