5KCE
| Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative | Descriptor: | (1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-06 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.847 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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6MA4
| Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 3a | Descriptor: | 5-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid, Host Cell Factor 1 peptide, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | Deposit date: | 2018-08-25 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors. J. Am. Chem. Soc., 140, 2018
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6MAQ
| F9 Pilus Adhesin FmlH Lectin Domain from E. coli UTI89 in Complex with Galactoside 2'-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-nitro-[1,1'-biphenyl]-3-carboxylic acid | Descriptor: | 2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acid, Fimbrial adhesin FmlD, GLYCEROL | Authors: | Klein, R.D, Hultgren, S.J. | Deposit date: | 2018-08-28 | Release date: | 2019-09-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Biphenyl Gal and GalNAc FmlH Lectin Antagonists of Uropathogenic E. coli (UPEC): Optimization through Iterative Rational Drug Design. J.Med.Chem., 62, 2019
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7R4P
| Structure of human hydroxyacid oxidase 1 bound with 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione | Descriptor: | 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2022-02-09 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide To Be Published
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8U1H
| Axle-less Bacillus sp. PS3 F1 ATPase mutant | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP synthase gamma chain, ATP synthase subunit alpha, ... | Authors: | Furlong, E.J, Zeng, Y.C, Brown, S.H.J, Sobti, M, Stewart, A.G. | Deposit date: | 2023-09-01 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The molecular structure of an axle-less F1 ATPase To Be Published
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6MAC
| Ternary structure of GDF11 bound to ActRIIB-ECD and Alk5-ECD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B, Growth/differentiation factor 11, ... | Authors: | Goebel, E.J, Thompson, T.B. | Deposit date: | 2018-08-27 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural characterization of an activin class ternary receptor complex reveals a third paradigm for receptor specificity. Proc.Natl.Acad.Sci.USA, 116, 2019
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8U9I
| Pasteurella multocida alpha2,3/2,6 sialyltransferase D141N bound to CMP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-2,3/2,6-sialyltransferase/sialidase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Stubbs, H.E, Iverson, T.M. | Deposit date: | 2023-09-19 | Release date: | 2024-09-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Pasteurella multocida alpha2,3/2,6 sialyltransferase D141N bound to CMP To Be Published
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5JY5
| Crystal structure of Thioredoxin 1 from Cryptococcus neoformans at 1.8 Angstroms resolution | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | Authors: | Bravo-Chaucanes, C.P, Abadio, A.K.R, Kioshima, E.S, Felipe, M.S.S, Barbosa, J.A.R.G. | Deposit date: | 2016-05-13 | Release date: | 2017-06-07 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Thioredoxin 1 from Cryptococcus neoformans at 1.8 Angstroms resolution To Be Published
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8CE5
| Cytochrome c maturation complex CcmABCD, E154Q, ATP-bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ... | Authors: | Ilcu, L, Zhang, L, Einsle, O. | Deposit date: | 2023-02-01 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation. Nat Commun, 14, 2023
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6QNR
| 70S ribosome elongation complex (EC) with experimentally assigned potassium ions | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Rozov, A, Khusainov, I, Yusupov, M, Yusupova, G. | Deposit date: | 2019-02-11 | Release date: | 2019-06-19 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Importance of potassium ions for ribosome structure and function revealed by long-wavelength X-ray diffraction. Nat Commun, 10, 2019
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6GKU
| Structure of galectin-10 in complex with the Fab fragment of a Charcot-Leyden crystal solubilizing antibody, 6F5 | Descriptor: | CALCIUM ION, Fab 6F5 - Heavy Chain, Fab 6F5 - Light chain, ... | Authors: | Verstraete, K, Verschueren, K, Savvides, S.N. | Deposit date: | 2018-05-21 | Release date: | 2019-06-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Protein crystallization promotes type 2 immunity and is reversible by antibody treatment. Science, 364, 2019
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6MGB
| Thermosulfurimonas dismutans KpsC, beta Kdo 2,4 transferase | Descriptor: | CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, Capsular polysaccharide export system protein KpsC, ... | Authors: | Doyle, L, Mallette, E, Kimber, M.S, Whitfield, C. | Deposit date: | 2018-09-13 | Release date: | 2019-03-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biosynthesis of a conserved glycolipid anchor for Gram-negative bacterial capsules. Nat.Chem.Biol., 15, 2019
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6M8W
| PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR AIAF | Descriptor: | AIAF PEPTIDE INHIBITOR, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K. | Deposit date: | 2018-08-22 | Release date: | 2018-10-24 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase Biochemistry, 40, 2001
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5KHJ
| HCN2 CNBD in complex with uridine-3', 5'-cyclic monophosphate (cUMP) | Descriptor: | Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2, Uridine-3',5'-cyclic monophosphate | Authors: | Ng, L.C.T, Putrenko, I, Baronas, V, Van Petegem, F, Accili, E.A. | Deposit date: | 2016-06-14 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Cyclic Purine and Pyrimidine Nucleotides Bind to the HCN2 Ion Channel and Variably Promote C-Terminal Domain Interactions and Opening. Structure, 24, 2016
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6M9H
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6CHM
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6MA5
| Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 1a | Descriptor: | Host Cell Factor 1 peptide, N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | Deposit date: | 2018-08-25 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors. J. Am. Chem. Soc., 140, 2018
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6MBD
| Human Mcl-1 in complex with the designed peptide dM1 | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, dM1 | Authors: | Jenson, J.M, Keating, A.E. | Deposit date: | 2018-08-29 | Release date: | 2019-03-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1. Structure, 27, 2019
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6MBO
| GLP Methyltransferase with Inhibitor EML741-P212121 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, Histone-lysine N-methyltransferase EHMT1, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-08-30 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.591 Å) | Cite: | Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure. J. Med. Chem., 62, 2019
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5JOS
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8CE8
| Cytochrome c maturation complex CcmABCDE | Descriptor: | Cytochrome c biogenesis ATP-binding export protein CcmA, Cytochrome c-type biogenesis protein CcmE, Heme exporter protein B, ... | Authors: | Ilcu, L, Zhang, L, Einsle, O. | Deposit date: | 2023-02-01 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation. Nat Commun, 14, 2023
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5NBD
| PglK flippase in complex with inhibitory nanobody | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nanobody, WlaB protein | Authors: | Perez, C, Pardon, E, Steyaert, J, Locher, K.P. | Deposit date: | 2017-03-01 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Structural basis of inhibition of lipid-linked oligosaccharide flippase PglK by a conformational nanobody. Sci Rep, 7, 2017
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6GXX
| Fab fragment of an antibody selective for alpha-1-antitrypsin in the native conformation | Descriptor: | FAB 1D9 heavy chain, FAB 1D9 light chain, MAGNESIUM ION | Authors: | Elliston, E.L.K, Miranda, E, Perez, J, Lomas, D.A, Irving, J.A. | Deposit date: | 2018-06-27 | Release date: | 2019-07-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Characterisation of a monoclonal antibody conformationally-selective for native alpha-1-antitrypsin To Be Published
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6GXZ
| Crystal structure of the human RPAP3(TPR2)-PIH1D1(CS) complex | Descriptor: | CALCIUM ION, PIH1 domain-containing protein 1, RNA polymerase II-associated protein 3 | Authors: | Henri, J, Quinternet, M, Manival, X, Chagot, M.-E, Charpentier, B, Meyer, P. | Deposit date: | 2018-06-27 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.965 Å) | Cite: | Deep Structural Analysis of RPAP3 and PIH1D1, Two Components of the HSP90 Co-chaperone R2TP Complex. Structure, 26, 2018
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8UCX
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