8OE9
 
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8OEC
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7S5A
 | | Crystal structure of human chemokine CCL8 | | Descriptor: | C-C motif chemokine 8 | | Authors: | Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J. | | Deposit date: | 2021-09-10 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8CRV
 | | Crystal Structure of the Carbamate Kinase from Pseudomonas aeruginosa | | Descriptor: | 1,2-ETHANEDIOL, Carbamate kinase, FORMIC ACID, ... | | Authors: | Kim, Y, Skarina, T, Mesa, N, Stogios, P, Savchenko, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the Carbamate Kinase from Pseudomonas aeruginosa
To Be Published
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6XGT
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8K7J
 | | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3R,4S,5R)-2-((dimethylamino)methyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-[(dimethylamino)methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | | Deposit date: | 2023-07-26 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase.
Jacs Au, 4, 2024
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7Z0W
 | | E. coli NfsA bound to NADP+ | | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I. | | Deposit date: | 2022-02-23 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism.
Febs Lett., 596, 2022
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5ENJ
 | | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-14 N11530 (SGC - Diamond I04-1 fragment screening) | | Descriptor: | MAGNESIUM ION, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide | | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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6EBN
 | | Crystal structure of Psilocybe cubensis noncanonical aromatic amino acid decarboxylase | | Descriptor: | FORMIC ACID, GLYCEROL, SODIUM ION, ... | | Authors: | Torrens-Spence, M.P, Chun-Ting, L, Pluskal, T, Chung, Y.K, Weng, J.K. | | Deposit date: | 2018-08-06 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9663111 Å) | | Cite: | Monoamine Biosynthesis via a Noncanonical Calcium-Activatable Aromatic Amino Acid Decarboxylase in Psilocybin Mushroom.
ACS Chem. Biol., 13, 2018
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3I3J
 | | Crystal Structure of the Bromodomain of Human EP300 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Histone acetyltransferase p300, ... | | Authors: | Filippakopoulos, P, Picaud, S, Phillips, C, Pike, A.C.W, Muniz, J, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-06-30 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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6RNL
 | | L-[Ru(TAP)2(dppz)]2+ bound to the G-quadruplex forming sequence d(TAGGGTT) | | Descriptor: | DNA (5'-D(*TP*AP*GP*GP*GP*TP*T)-3'), POTASSIUM ION, Ru(tap)2(dppz) complex, ... | | Authors: | McQuaid, K.T, Hall, J.P, Cardin, C.J. | | Deposit date: | 2019-05-09 | | Release date: | 2019-08-28 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Three thymine/adenine binding modes of the ruthenium complex Lambda-[Ru(TAP)2(dppz)]2+to the G-quadruplex forming sequence d(TAGGGTT) shown by X-ray crystallography.
Chem.Commun.(Camb.), 55, 2019
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6ULS
 | | BRD4-BD1 in complex with the a diacetylated-E2F1 peptide | | Descriptor: | Bromodomain-containing protein 4, Diacetylated E2F1 Peptide (K117ac and K120ac) | | Authors: | Patel, K, Low, J.K.K, Mackay, J.P. | | Deposit date: | 2019-10-08 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | BET-Family Bromodomains Can Recognize Diacetylated Sequences from Transcription Factors Using a Conserved Mechanism.
Biochemistry, 60, 2021
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8C77
 | | Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2023-01-12 | | Release date: | 2023-01-25 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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7RZ8
 | | Structure of the complex of LBD-TMD part of AMPA receptor GluA2 with auxiliary subunit TARP gamma-5 bound to agonist quisqualate | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Glutamate receptor 2 | | Authors: | Klykov, O.V, Gangwar, S.P, Yelshanskaya, M.V, Sobolevsky, A.I. | | Deposit date: | 2021-08-27 | | Release date: | 2021-10-27 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure and desensitization of AMPA receptor complexes with type II TARP gamma 5 and GSG1L.
Mol.Cell, 81, 2021
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7RWT
 | | Adeno-associated virus type 2 | | Descriptor: | Capsid protein VP1 | | Authors: | Hull, J.A, Mietzsch, M, Chipman, P, Strugatsky, D, McKenna, R. | | Deposit date: | 2021-08-20 | | Release date: | 2021-10-20 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.43 Å) | | Cite: | Structural characterization of an envelope-associated adeno-associated virus type 2 capsid.
Virology, 565, 2021
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8TJT
 | | The Fab fragment of an anti-glucagon receptor (GCGR) antibody | | Descriptor: | anti-GCGR Fab heavy chain, anti-GCGR Fab light chain | | Authors: | Dai, J, Carter, P.J, Sudhamsu, J, Kung, J. | | Deposit date: | 2023-07-24 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Variable domain mutational analysis to probe the molecular mechanisms of high viscosity of an IgG 1 antibody.
Mabs, 16, 2024
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3HOH
 | | RIBONUCLEASE T1 (THR93GLN MUTANT) COMPLEXED WITH 2'GMP | | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1) | | Authors: | Langhorst, U, Loris, R, Denisov, V.P, Doumen, J, Roose, P, Maes, D, Halle, B, Steyaert, J. | | Deposit date: | 1998-09-11 | | Release date: | 1998-09-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Dissection of the structural and functional role of a conserved hydration site in RNase T1.
Protein Sci., 8, 1999
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5XF4
 | | Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (S,S-configuration) | | Descriptor: | (1S,2S)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ... | | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | | Deposit date: | 2017-04-07 | | Release date: | 2017-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
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8F6X
 | | cryo-EM structure of a structurally designed Human metapneumovirus F protein in complex with antibody MPE8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MPE8 Single chain variable fragment, Structurally designed HMPV F protein HMPV_v3B_D12_DS454,Fibritin | | Authors: | Zhou, T, Kwong, P.D, Morano, N.C, Ou, L. | | Deposit date: | 2022-11-17 | | Release date: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | cryo-EM structure of a structurally designed Human metapneumovirus F protein in complex with antibody MPE8
To Be Published
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8K7D
 | | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3R,4S,5R)-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | | Deposit date: | 2023-07-26 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase.
Jacs Au, 4, 2024
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8K7I
 | | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2-(hydroxymethyl)-5-((methylamino)methyl)pyrrolidine-3,4-diol | | Descriptor: | (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | | Deposit date: | 2023-07-26 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase.
Jacs Au, 4, 2024
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8C7Y
 | | Crystal structure of BRAF V600E in complex with a hybrid compound 6 | | Descriptor: | 1,2-ETHANEDIOL, NITRATE ION, Serine/threonine-protein kinase B-raf, ... | | Authors: | Chaikuad, A, Bonnet, P, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-01-17 | | Release date: | 2023-02-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.
Eur.J.Med.Chem., 250, 2023
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8C7X
 | | Crystal structure of BRAF in complex with a hybrid compound 6 | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, Serine/threonine-protein kinase B-raf, ... | | Authors: | Chaikuad, A, Bonnet, P, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-01-17 | | Release date: | 2023-02-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.
Eur.J.Med.Chem., 250, 2023
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6ECA
 | | Lactobacillus rhamnosus Beta-glucuronidase | | Descriptor: | Beta-glucuronidase, CHLORIDE ION, GLYCEROL | | Authors: | Biernat, K.A, Pellock, S.J, Bhatt, A.P, Bivins, M.M, Walton, W.G, Tran, B.N.T, Wei, L, Snider, M.C, Cesmat, A.P, Tripathy, A, Erie, D.A, Redinbo, M.R.R. | | Deposit date: | 2018-08-07 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.853 Å) | | Cite: | Structure, function, and inhibition of drug reactivating human gut microbial beta-glucuronidases.
Sci Rep, 9, 2019
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6UHK
 | | Crystal Structure of C176 mGFP | | Descriptor: | C176 mGFP | | Authors: | Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A. | | Deposit date: | 2019-09-27 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | DNA-Directed Protein Packing within Single Crystals.
Chem, 6, 2020
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