7UWP
| Detergent-bound CYP51 from Acanthamoeba castellanii | Descriptor: | DODECYL-BETA-D-MALTOSIDE, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase | Authors: | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | Deposit date: | 2022-05-03 | Release date: | 2023-04-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of Potent and Selective Inhibitors of Acanthamoeba: Structural Insights into Sterol 14-Demethylase as a Key Drug Target J.Med.Chem., 2024
|
|
8Q8O
| |
8QDO
| Crystal structure of the tegument protein UL82 (pp71) from Human Cytomegalovirus | Descriptor: | Protein pp71, TETRAETHYLENE GLYCOL | Authors: | Bresch, I.P, Eberhage, J, Reubold, T.F, Eschenburg, S. | Deposit date: | 2023-08-30 | Release date: | 2024-02-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the tegument protein UL82 (pp71) from human cytomegalovirus. Protein Sci., 33, 2024
|
|
8R5O
| Plastid-encoded RNA polymerase | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Webster, M.W, Pramanick, I, Vergara-Cruces, A. | Deposit date: | 2023-11-17 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Structure of the plant plastid-encoded RNA polymerase. Cell, 187, 2024
|
|
5AGQ
| Solution structure of the TAM domain of human TIP5 BAZ2A involved in epigenetic regulation of rRNA genes | Descriptor: | BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2A | Authors: | Anosova, I, Melnik, S, Tripsianes, K, Kateb, F, Grummt, I, Sattler, M. | Deposit date: | 2015-02-03 | Release date: | 2015-05-06 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | A Novel RNA Binding Surface of the Tam Domain of Tip5/Baz2A Mediates Epigenetic Regulation of Rrna Genes. Nucleic Acids Res., 43, 2015
|
|
8BD4
| TniQ-capped Tns-ATP-dsDNA complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*GP*AP*TP*CP*GP*AP*TP*CP*GP*AP*TP*CP*GP*AP*TP*C)-3'), MAGNESIUM ION, ... | Authors: | Querques, I, Schmitz, M, Oberli, S, Chanez, C, Jinek, M. | Deposit date: | 2022-10-18 | Release date: | 2022-12-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Structural basis for the assembly of the type V CRISPR-associated transposon complex. Cell, 185, 2022
|
|
5KSQ
| Stationary phase survival protein E (SurE) from Xylella fastidiosa | Descriptor: | 5'-nucleotidase SurE, IODIDE ION, MANGANESE (II) ION, ... | Authors: | Machado, A.T.P, Fonseca, E.M.B, Dos Reis, M.A, Saraiva, A.M, Dos Santos, C.A, De Toledo, M.A, Polikarpov, I, De Souza, A.P, Aparicio, R, Iulek, J. | Deposit date: | 2016-07-09 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Conformational variability of the stationary phase survival protein E from Xylella fastidiosa revealed by X-ray crystallography, small-angle X-ray scattering studies, and normal mode analysis. Proteins, 85, 2017
|
|
3JTK
| Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90055 | Descriptor: | (2R)-3-benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-12 | Release date: | 2009-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90055 To be Published
|
|
8VQL
| Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S prime | Descriptor: | (S~1~S,3S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lin, T.H, Zhu, Y, Wilson, I.A. | Deposit date: | 2024-01-18 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
6B73
| Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor | Descriptor: | CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ... | Authors: | Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L. | Deposit date: | 2017-10-03 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor. Cell, 172, 2018
|
|
2PP9
| Nitrate bound wild type oxidized AfNiR | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, COPPER (I) ION, ... | Authors: | Murphy, M.E.P, Tocheva, E.I. | Deposit date: | 2007-04-28 | Release date: | 2008-04-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conserved active site residues limit inhibition of a copper-containing nitrite reductase by small molecules. Biochemistry, 47, 2008
|
|
1I72
| HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND 5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE | Descriptor: | 1,4-DIAMINOBUTANE, 5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ... | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | Deposit date: | 2001-03-07 | Release date: | 2001-08-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase. Biochemistry, 40, 2001
|
|
1I7C
| HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH METHYLGLYOXAL BIS-(GUANYLHYDRAZONE) | Descriptor: | 1,4-DIAMINOBUTANE, METHYLGLYOXAL BIS-(GUANYLHYDRAZONE), S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ... | Authors: | Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | Deposit date: | 2001-03-08 | Release date: | 2001-08-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase. Biochemistry, 40, 2001
|
|
8BQK
| W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 22 min | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2022-11-21 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.587 Å) | Cite: | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation. Int J Mol Sci, 24, 2022
|
|
8BQJ
| W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 5 min | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2022-11-21 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.107 Å) | Cite: | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation. Int J Mol Sci, 24, 2022
|
|
4FZB
| Structure of thymidylate synthase ThyX complexed to a new inhibitor | Descriptor: | 2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Basta, T, Boum, Y, Briffotaux, J, Becker, H.F, Lamarre-Jouenne, I, Lambry, J.C, Skouloubris, S, Liebl, U, van Tilbeurgh, H, Graille, M, Myllylkallio, H. | Deposit date: | 2012-07-06 | Release date: | 2013-05-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Mechanistic and structural basis for inhibition of thymidylate synthase ThyX. Open Biology, 2, 2012
|
|
6SC6
| dAb3/HOIP-RBR apo structure | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ... | Authors: | Tsai, Y.-C.I, House, D, Rittinger, K. | Deposit date: | 2019-07-23 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases. Cell Chem Biol, 27, 2020
|
|
8BQL
| W-formate dehydrogenase from Desulfovibrio vulgaris - Co-crystallized with Formate and Reoxidized by exposure to air for 12 min | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Formate dehydrogenase, ... | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2022-11-21 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.906 Å) | Cite: | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation. Int J Mol Sci, 24, 2022
|
|
8BQG
| W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 1 min | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2022-11-21 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.946 Å) | Cite: | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation. Int J Mol Sci, 24, 2022
|
|
8BQI
| W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 3 min | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2022-11-21 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.356 Å) | Cite: | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation. Int J Mol Sci, 24, 2022
|
|
8BPN
| The structure of thiocyanate dehydrogenase mutant form with Phe 436 replaced by Gln from Thioalkalivibrio paradoxus | Descriptor: | COPPER (II) ION, DI(HYDROXYETHYL)ETHER, Twin-arginine translocation signal domain-containing protein | Authors: | Varfolomeeva, L.A, Solovieva, A.Y, Shipkov, N.S, Kulikova, O.G, Dergousova, N.I, Rakitina, T.V, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | Deposit date: | 2023-01-09 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Probing the Role of a Conserved Phenylalanine in the Active Site of Thiocyanate Dehydrogenase Crystals, 12, 2022
|
|
8R6S
| Plastid-encoded RNA polymerase (Integrated model) | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Webster, M.W, Pramanick, I, Vergara-Cruces, A. | Deposit date: | 2023-11-22 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Structure of the plant plastid-encoded RNA polymerase. Cell, 187, 2024
|
|
8BQH
| W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 1.5 min | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, ... | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | Deposit date: | 2022-11-21 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation. Int J Mol Sci, 24, 2022
|
|
5HFI
| |
1Q0K
| Crystal structure of Ni-containing superoxide dismutase with Ni-ligation corresponding to the thiosulfate-reduced state | Descriptor: | NICKEL (II) ION, SULFATE ION, Superoxide dismutase [Ni], ... | Authors: | Wuerges, J, Lee, J.-W, Yim, Y.-I, Yim, H.-S, Kang, S.-O, Djinovic Carugo, K. | Deposit date: | 2003-07-16 | Release date: | 2004-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of nickel-containing superoxide dismutase reveals another type of active site Proc.Natl.Acad.Sci.USA, 101, 2004
|
|