5JGJ
| Crystal structure of GtmA | Descriptor: | UbiE/COQ5 family methyltransferase, putative | Authors: | Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Doyle, S. | Deposit date: | 2016-04-20 | Release date: | 2017-03-01 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus. Open Biol, 7, 2017
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8AN8
| Crystal structure of wild-type c-MET bound by compound 7. | Descriptor: | 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, Hepatocyte growth factor receptor, SULFATE ION | Authors: | Collie, G.W. | Deposit date: | 2022-08-04 | Release date: | 2022-08-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.394 Å) | Cite: | Discovery of a selective c-MET inhibitor with a novel binding mode. Bioorg.Med.Chem.Lett., 75, 2022
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8ANS
| Crystal structure of D1228V c-MET bound by compound 1. | Descriptor: | 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, GLYCEROL, Hepatocyte growth factor receptor | Authors: | Collie, G.W. | Deposit date: | 2022-08-05 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Discovery of a selective c-MET inhibitor with a novel binding mode. Bioorg.Med.Chem.Lett., 75, 2022
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5JGL
| Crystal structure of GtmA in complex with S-Adenosylmethionine | Descriptor: | S-ADENOSYLMETHIONINE, SODIUM ION, UbiE/COQ5 family methyltransferase, ... | Authors: | Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Doyle, S. | Deposit date: | 2016-04-20 | Release date: | 2017-03-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus. Open Biol, 7, 2017
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8CRD
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6WQA
| 2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Lee, M.-Y, Geiger, J, Ishchenko, A, Han, G.W, Barty, A, White, T.A, Gati, C, Batyuk, A, Hunter, M.S, Aquila, A, Boutet, S, Weierstall, U, Cherezov, V, Liu, W. | Deposit date: | 2020-04-28 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase Iucrj, 7, 2020
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6X94
| An orthogonal seryl-tRNA synthetase/tRNA pair for noncanonical amino acid mutagenesis in Escherichia coli | Descriptor: | 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zambaldo, C, Koh, M, Nasertorabi, F, Han, G.W, Chatterjee, A, Stevens, R.C, Schultz, P.G. | Deposit date: | 2020-06-02 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | An orthogonal seryl-tRNA synthetase/tRNA pair for noncanonical amino acid mutagenesis in Escherichia coli. Bioorg.Med.Chem., 28, 2020
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1SK5
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8TZM
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8UHI
| Structure of the far-red light-absorbing allophycocyanin core expressed during FaRLiP | Descriptor: | MAGNESIUM ION, RIBULOSE-1,5-DIPHOSPHATE, Ribulose bisphosphate carboxylase large subunit, ... | Authors: | Gisriel, C.J, Bryant, D.A, Brudvig, G.W, Shen, G. | Deposit date: | 2023-10-09 | Release date: | 2024-01-03 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Structure of the antenna complex expressed during far-red light photoacclimation in Synechococcus sp. PCC 7335. J.Biol.Chem., 300, 2023
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8UHE
| Structure of the far-red light-absorbing allophycocyanin core expressed during FaRLiP | Descriptor: | ApcB2, ApcC, ApcD2, ... | Authors: | Gisriel, C.J, Bryant, D.A, Brudvig, G.W, Shen, G. | Deposit date: | 2023-10-09 | Release date: | 2024-01-03 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Structure of the antenna complex expressed during far-red light photoacclimation in Synechococcus sp. PCC 7335. J.Biol.Chem., 300, 2023
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8ULM
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8CU6
| Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ... | Authors: | Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor. J.Med.Chem., 65, 2022
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8CU7
| Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ... | Authors: | Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor. J.Med.Chem., 65, 2022
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8DDY
| Helical rods of far-red light-absorbing allophycocyanin in Synechococcus sp. | Descriptor: | Allophycocyanin subunit alpha, Allophycocyanin subunit beta, CHLORIDE ION, ... | Authors: | Gisriel, C.J, Shen, G.S, Soulier, N.T, Flesher, D.A, Brudvig, G.W, Bryant, D.A. | Deposit date: | 2022-06-19 | Release date: | 2023-04-05 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Helical allophycocyanin nanotubes absorb far-red light in a thermophilic cyanobacterium. Sci Adv, 9, 2023
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8DU3
| Crystal structure of A2AAR-StaR2-bRIL in complex with compound 21a | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine, Adenosine receptor A2a, ... | Authors: | Shiriaeva, A, Stauch, B, Han, G.W, Cherezov, V. | Deposit date: | 2022-07-26 | Release date: | 2022-08-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High ligand efficiency quinazoline compounds as novel A 2A adenosine receptor antagonists. Eur.J.Med.Chem., 241, 2022
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8EQM
| Structure of a dimeric photosystem II complex acclimated to far-red light | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Gisriel, C.J, Shen, G, Flesher, D.A, Kurashov, V, Golbeck, J.H, Brudvig, G.W, Amin, M, Bryant, D.A. | Deposit date: | 2022-10-08 | Release date: | 2022-12-28 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structure of a dimeric photosystem II complex from a cyanobacterium acclimated to far-red light. J.Biol.Chem., 299, 2022
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5J0E
| Crystal structures of Pribnow box consensus promoter sequence (P32) | Descriptor: | Complementary sequence, Pribnow box consensus promoter sequence, ZINC ION | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2016-03-28 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structure elucidation of the Pribnow box consensus promoter sequence by racemic DNA crystallography. Nucleic Acids Res., 44, 2016
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9EXY
| Crystal structure of the PWWP1 domain of NSD2 bound by compound 34. | Descriptor: | 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 | Authors: | Collie, G.W. | Deposit date: | 2024-04-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. J.Med.Chem., 67, 2024
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9EXW
| Crystal structure of the PWWP1 domain of NSD2 bound by compound 17. | Descriptor: | 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 | Authors: | Collie, G.W. | Deposit date: | 2024-04-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. J.Med.Chem., 67, 2024
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9EXX
| Crystal structure of the PWWP1 domain of NSD2 bound by compound 18. | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide, ETHANOL, ... | Authors: | Collie, G.W. | Deposit date: | 2024-04-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.943 Å) | Cite: | Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. J.Med.Chem., 67, 2024
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8YY8
| Fzd7 -Gs complex | Descriptor: | Frizzled-7, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Chen, B, Xu, L, Han, G.W, Xu, F. | Deposit date: | 2024-04-03 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Cryo-EM structure of constitutively active human Frizzled 7 in complex with heterotrimeric G s . Cell Res., 31, 2021
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1JVO
| Azurin dimer, crosslinked via disulfide bridge | Descriptor: | Azurin, COPPER (II) ION | Authors: | van Amsterdam, I.M.C, Ubbink, M, Einsle, O, Messerschmidt, A, Merli, A, Cavazzini, D, Rossi, G.L, Canters, G.W. | Deposit date: | 2001-08-30 | Release date: | 2002-01-04 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Dramatic modulation of electron transfer in protein complexes by crosslinking Nat.Struct.Biol., 9, 2002
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7JNI
| Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FORMIC ACID, HEXANE-1,6-DIOL, ... | Authors: | Cherezov, V, Shaye, H, Han, G.W. | Deposit date: | 2020-08-04 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Inhibition of the angiotensin II type 2 receptor AT 2 R is a novel therapeutic strategy for glioblastoma. Proc.Natl.Acad.Sci.USA, 119, 2022
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1KJV
| TAP-B-associated rat MHC class I molecule | Descriptor: | Mature alpha chain of major histocompatibility complex class I antigen (HEAVY CHAIN), SULFATE ION, beta-2-microglobulin, ... | Authors: | Rudolph, M.G, Stevens, J, Speir, J.A, Trowsdale, J, Butcher, G.W, Joly, E, Wilson, I.A. | Deposit date: | 2001-12-05 | Release date: | 2002-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal structures of two rat MHC class Ia (RT1-A) molecules that are associated differentially
with peptide transporter alleles TAP-A and TAP-B. J.Mol.Biol., 324, 2002
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