6CVK
 
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5UWF
 | | Crystal structure of human PDE10A in complex with inhibitor 16d | | Descriptor: | 9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Xu, R, Cedervall, E.P, Sridhar, V, Barker, R, Aertgeerts, K. | | Deposit date: | 2017-02-21 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
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6XE3
 | | Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site. | | Descriptor: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2020-06-11 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site.
To be Published
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9GOK
 | | X-ray structure of lysozyme obtained upon reaction with the dioxidovanadium(V) complex with (E)-N'-(1-(2-hydroxy-5-methoxyphenyl)ethylidene)furan-2-carbohydrazide) | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | Authors: | Paolillo, M, Ferraro, G, Merlino, A. | | Deposit date: | 2024-09-05 | | Release date: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Interaction of V V O 2 -hydrazonates with lysozyme.
J.Inorg.Biochem., 264, 2024
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6FXC
 | | The cryo-EM structure of hibernating 100S ribosome dimer from pathogenic Staphylococcus aureus | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Matzov, D, Aibara, S, Zimmerman, E, Bashan, A, Kidmose, R, Amunts, A, Yonath, A. | | Deposit date: | 2018-03-08 | | Release date: | 2018-03-21 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (6.76 Å) | | Cite: | The cryo-EM structure of hibernating 100S ribosome dimer from pathogenic Staphylococcus aureus.
Nat Commun, 8, 2017
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8JJR
 | | Cryo-EM structure of Symbiodinium photosystem I | | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Zhao, L.S, Wang, N, Li, K, Zhang, Y.Z, Liu, L.N. | | Deposit date: | 2023-05-31 | | Release date: | 2024-05-15 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Architecture of symbiotic dinoflagellate photosystem I-light-harvesting supercomplex in Symbiodinium.
Nat Commun, 15, 2024
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5HR2
 | | Crystal structure of thioredoxin L94A mutant | | Descriptor: | COPPER (II) ION, Thioredoxin | | Authors: | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | | Deposit date: | 2016-01-22 | | Release date: | 2017-02-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
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7QFM
 | | Pim1 in complex with (E)-4-((2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | | Descriptor: | 4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ... | | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | | Deposit date: | 2021-12-06 | | Release date: | 2022-12-21 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
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8HEK
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6NPF
 | | Structure of E.coli enolase in complex with an analog of the natural product SF-2312 metabolite. | | Descriptor: | Enolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Erlandsen, H, Krucinska, J, Lombardo, M, Wright, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019
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5VM8
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9K8M
 | | Hypoxanthine-guanine phosphoribosyltransferase from E. coli with HEPES | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypoxanthine phosphoribosyltransferase | | Authors: | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Kostromina, M.A, Zayats, E.A, Kuranova, I.P, Esipov, R.S. | | Deposit date: | 2024-10-24 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Hypoxanthine-guanine phosphoribosyltransferase from E. coli with HEPES
To Be Published
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6OH7
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8UC8
 | | HCN1 nanodisc | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | | Authors: | Kim, E.D, Nimigean, C.M. | | Deposit date: | 2023-09-25 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants.
Nature, 632, 2024
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8UC7
 | | HCN1 complex with propofol | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,6-BIS(1-METHYLETHYL)PHENOL, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | | Authors: | Kim, E.D, Nimigean, C.M. | | Deposit date: | 2023-09-25 | | Release date: | 2024-07-31 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants.
Nature, 632, 2024
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2KU0
 | | Inhibitor Induced Structural Change in the HCV IRES Domain IIa RNA | | Descriptor: | (7S)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine, HCV IRES Domain IIa RNA | | Authors: | Paulsen, R.B, Seth, P.P, Swayze, E.E, Griffey, R.H, Skalicky, J.J, Cheatham III, T.E, Davis, D.R. | | Deposit date: | 2010-02-10 | | Release date: | 2010-04-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Inhibitor-induced structural change in the HCV IRES domain IIa RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2WGQ
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2L61
 | | Protein and metal cluster structure of the wheat metallothionein domain g-Ec-1. The second part of the puzzle. | | Descriptor: | CADMIUM ION, EC protein I/II | | Authors: | Loebus, J, Peroza, E.A, Bluethgen, N, Fox, T, Meyer-Klaucke, W, Zerbe, O, Freisinger, E. | | Deposit date: | 2010-11-12 | | Release date: | 2011-05-25 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Protein and metal cluster structure of the wheat metallothionein domain gamma-E(c)-1: the second part of the puzzle.
J.Biol.Inorg.Chem., 16, 2011
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4XYC
 | | NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES | | Descriptor: | 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one, Glutamine synthetase 1 | | Authors: | Couturier, C, Silve, S, Morales, R, Ppessegue, B, Llopart, S, Nair, A, Bauer, A, Scheiper, B, poeverlein, c, Ganzhorn, A, Lagrange, S, Bacque, E. | | Deposit date: | 2015-02-02 | | Release date: | 2015-03-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 25, 2015
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6N7P
 | | S. cerevisiae spliceosomal E complex (UBC4) | | Descriptor: | 56 kDa U1 small nuclear ribonucleoprotein component, Nuclear cap-binding protein complex subunit 1, Nuclear cap-binding protein subunit 2, ... | | Authors: | Liu, S, Li, X, Zhou, Z.H, Zhao, R. | | Deposit date: | 2018-11-27 | | Release date: | 2019-09-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A unified mechanism for intron and exon definition and back-splicing.
Nature, 573, 2019
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8GU6
 | | Structure of the SbCas7-11-crRNA-NTR-Csx29 complex | | Descriptor: | CHAT domain protein, RAMP superfamily protein, RNA (33-MER), ... | | Authors: | Yu, G, Wang, X, Deng, Z, Zhang, H. | | Deposit date: | 2022-09-10 | | Release date: | 2023-01-18 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Target RNA-guided protease activity in type III-E CRISPR-Cas system.
Nucleic Acids Res., 50, 2022
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8GNA
 | | Structure of the SbCas7-11-crRNA-NTR complex | | Descriptor: | RAMP superfamily protein, RNA (32-MER), RNA (5'-R(P*GP*GP*GP*GP*CP*AP*GP*AP*AP*AP*AP*UP*UP*GP*GP*GP*U)-3'), ... | | Authors: | Yu, G, Wang, X, Deng, Z, Zhang, H. | | Deposit date: | 2022-08-23 | | Release date: | 2023-01-18 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Target RNA-guided protease activity in type III-E CRISPR-Cas system.
Nucleic Acids Res., 50, 2022
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2VUB
 | | CCDB, A TOPOISOMERASE POISON FROM E. COLI | | Descriptor: | CCDB, CHLORIDE ION | | Authors: | Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L. | | Deposit date: | 1998-04-21 | | Release date: | 1998-06-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
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4Y4N
 | | Thiazole synthase Thi4 from Methanococcus igneus | | Descriptor: | 2-[(E)-[(4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid, FE (II) ION, Putative ribose 1,5-bisphosphate isomerase | | Authors: | Zhang, X, Ealick, S.E. | | Deposit date: | 2015-02-10 | | Release date: | 2016-03-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Iron-Mediated Sulfur Transfer in Archael and Yeast Thiazole Synthases.
Biochemistry, 55, 2016
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6OXI
 | | Dimeric E.coli YoeB bound to Thermus thermophilus 70S post-cleavage (UAA) | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Pavelich, I.J, Hoffer, E.D, Maehigashi, T, Dunham, C.M. | | Deposit date: | 2019-05-13 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.495 Å) | | Cite: | Monomeric YoeB toxin retains RNase activity but adopts an obligate dimeric form for thermal stability.
Nucleic Acids Res., 47, 2019
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