5M3K
| A multi-component acyltransferase PhlABC from Pseudomonas protegens | Descriptor: | 2,4-diacetylphloroglucinol biosynthesis protein PhlB, 2,4-diacetylphloroglucinol biosynthesis protein PhlC, PhlA, ... | Authors: | Pavkov-Keller, T, Schmidt, N.G, Kroutil, W, Gruber, K. | Deposit date: | 2016-10-15 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure and Catalytic Mechanism of a Bacterial Friedel-Crafts Acylase. Chembiochem, 20, 2019
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6SV3
| Structure of coproheme-LmCpfC | Descriptor: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Ferrochelatase, GLYCEROL | Authors: | Hofbauer, S, Helm, J, Djinovic-Carugo, K, Furtmueller, P.G. | Deposit date: | 2019-09-17 | Release date: | 2019-12-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.64000869 Å) | Cite: | Crystal structures and calorimetry reveal catalytically relevant binding mode of coproporphyrin and coproheme in coproporphyrin ferrochelatase. Febs J., 287, 2020
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5UYQ
| 70S ribosome bound with near-cognate ternary complex base-paired to A site codon, closed 30S (Structure III-nc) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Loveland, A.B, Demo, G, Grigorieff, N, Korostelev, A.A. | Deposit date: | 2017-02-24 | Release date: | 2017-06-07 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Ensemble cryo-EM elucidates the mechanism of translation fidelity Nature, 546, 2017
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1GBV
| (ALPHA-OXY, BETA-(C112G)DEOXY) T-STATE HUMAN HEMOGLOBIN | Descriptor: | HEMOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Vasquez, G.B, Ji, X, Pechik, I, Fronticelli, C, Gilliland, G.L. | Deposit date: | 1995-12-20 | Release date: | 1997-01-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cysteines beta93 and beta112 as probes of conformational and functional events at the human hemoglobin subunit interfaces. Biophys.J., 76, 1999
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6J2E
| Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola virus-derived peptide EBOV-NP1 | Descriptor: | Beta-2-microglobulin, EBOV-NP1, MHC class I antigen | Authors: | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | Deposit date: | 2019-01-01 | Release date: | 2019-09-18 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats. Plos Biol., 17, 2019
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6J7U
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5UYW
| YfeA ancillary sites that co-load with site 2 | Descriptor: | Periplasmic chelated iron-binding protein YfeA, ZINC ION | Authors: | Radka, C.D, DeLucas, L.J, Aller, S.G. | Deposit date: | 2017-02-24 | Release date: | 2017-07-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Crystal structure of Yersinia pestis virulence factor YfeA reveals two polyspecific metal-binding sites. Acta Crystallogr D Struct Biol, 73, 2017
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6I0R
| Structure of quinolinate synthase in complex with 5-mercaptopyridine-2,3-dicarboxylic acid | Descriptor: | 5-mercaptopyridine-2,3-dicarboxylic acid, FE (III) ION, HYDROSULFURIC ACID, ... | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | Deposit date: | 2018-10-26 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination. Chem.Commun.(Camb.), 55, 2019
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3KH3
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5V4Y
| X-ray crystal structure of wild type HIV-1 protease in complex with GRL-09510 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, Protease | Authors: | Yedidi, R.S, Delino, N.S, Das, D, Kaufman, J.D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2017-03-11 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | GRL-09510, a Unique P2-Crown-Tetrahydrofuranylurethane -Containing HIV-1 Protease Inhibitor, Maintains Its Favorable Antiviral Activity against Highly-Drug-Resistant HIV-1 Variants in vitro. Sci Rep, 7, 2017
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6SNQ
| Crystal structures of human PGM1 isoform 2 | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Phosphoglucomutase-1, ZINC ION | Authors: | Backe, P.H, Laerdahl, J.K, Kittelsen, L.S, Dalhus, B, Morkrid, L, Bjoras, M. | Deposit date: | 2019-08-27 | Release date: | 2020-04-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for substrate and product recognition in human phosphoglucomutase-1 (PGM1) isoform 2, a member of the alpha-D-phosphohexomutase superfamily. Sci Rep, 10, 2020
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6ROJ
| Cryo-EM structure of the activated Drs2p-Cdc50p | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ... | Authors: | Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P. | Deposit date: | 2019-05-13 | Release date: | 2019-07-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure and autoregulation of a P4-ATPase lipid flippase. Nature, 571, 2019
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6RPB
| Crystal structure of the T-cell receptor NYE_S1 bound to HLA A2*01-SLLMWITQV | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | Deposit date: | 2019-05-14 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex. J Immunol., 204, 2020
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6TX3
| HPF1 bound to catalytic fragment of PARP2 | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Histone PARylation factor 1, Poly [ADP-ribose] polymerase 2,Poly [ADP-ribose] polymerase 2 | Authors: | Suskiewicz, M.J, Ahel, I. | Deposit date: | 2020-01-13 | Release date: | 2020-02-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | HPF1 completes the PARP active site for DNA damage-induced ADP-ribosylation. Nature, 579, 2020
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2CRS
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6ROI
| Cryo-EM structure of the partially activated Drs2p-Cdc50p | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P. | Deposit date: | 2019-05-13 | Release date: | 2019-07-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure and autoregulation of a P4-ATPase lipid flippase. Nature, 571, 2019
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6RP9
| Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV | Descriptor: | Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ... | Authors: | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | Deposit date: | 2019-05-14 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex. J Immunol., 204, 2020
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1QTE
| CRYSTAL STRUCTURE OF THE 70 KDA SOLUBLE LYTIC TRANSGLYCOSYLASE SLT70 FROM ESCHERICHIA COLI AT 1.90 A RESOLUTION IN COMPLEX WITH A 1,6-ANHYDROMUROTRIPEPTIDE | Descriptor: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | van Asselt, E.J, Thunnissen, A.-M.W.H, Dijkstra, B.W. | Deposit date: | 1999-06-27 | Release date: | 1999-08-31 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High resolution crystal structures of the Escherichia coli lytic transglycosylase Slt70 and its complex with a peptidoglycan fragment. J.Mol.Biol., 291, 1999
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6RV6
| Structure of properdin lacking TSR3 based on anomalous data | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Properdin, alpha-D-mannopyranose, ... | Authors: | Pedersen, D.V, Andersen, G.R. | Deposit date: | 2019-05-31 | Release date: | 2019-08-21 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (3.507 Å) | Cite: | Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System. Front Immunol, 10, 2019
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5NNB
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5NLI
| Crystal structure of Zn2-E16V human ubiquitin (hUb) mutant adduct, from a solution 35 mM zinc acetate/10% v/v TFE/1.3 mM E16V hUb | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Polyubiquitin-C, ... | Authors: | Fermani, S, Falini, G. | Deposit date: | 2017-04-04 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Aggregation Pathways of Native-Like Ubiquitin Promoted by Single-Point Mutation, Metal Ion Concentration, and Dielectric Constant of the Medium. Chemistry, 24, 2018
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1HUO
| CRYSTAL STRUCTURE OF DNA POLYMERASE BETA COMPLEXED WITH DNA AND CR-TMPPCP | Descriptor: | 5'-D(*AP*AP*TP*AP*GP*GP*CP*GP*TP*CP*G)-3', 5'-D(P*CP*GP*AP*CP*GP*CP*C)-3', CHROMIUM ION, ... | Authors: | Arndt, J.W, Gong, W, Zhong, X, Showalter, A.K, Liu, J, Lin, Z, Paxson, C, Tsai, M.-D, Chan, M.K. | Deposit date: | 2001-01-04 | Release date: | 2001-04-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insight into the catalytic mechanism of DNA polymerase beta: structures of intermediate complexes. Biochemistry, 40, 2001
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3BQC
| High pH-value crystal structure of emodin in complex with the catalytic subunit of protein kinase CK2 | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Niefind, K, Raaf, J, Issinger, O.-G. | Deposit date: | 2007-12-20 | Release date: | 2008-01-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Catalytic Subunit of Human Protein Kinase CK2 Structurally Deviates from Its Maize Homologue in Complex with the Nucleotide Competitive Inhibitor Emodin J.Mol.Biol., 377, 2008
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6HR2
| Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB | Descriptor: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | Deposit date: | 2018-09-26 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design. Nat.Chem.Biol., 15, 2019
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3BYX
| Lactobacillus CASEI Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative C00 in Multiple Binding Modes | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase | Authors: | Leone, R, Mangani, S, Cancian, L, Costi, M.P, Luciani, R, Ferrari, S. | Deposit date: | 2008-01-16 | Release date: | 2009-01-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening J.Med.Chem., 54, 2011
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