8EBZ
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5LFG
| X-ray structure of a new fully ligated carbomonoxy form of Trematomus newnesi hemoglobin (Hb1TnCO). | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, ... | Authors: | Vitagliano, L, Mazzarella, L, Merlino, A, Vergara, A. | Deposit date: | 2016-07-01 | Release date: | 2017-08-09 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Fine Sampling of the RT Quaternary-Structure Transition of a Tetrameric Hemoglobin. Chemistry, 23, 2017
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5FFS
| Crystal Structure of Surfactant Protein-A Y164A Mutant | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein A | Authors: | Goh, B.C, Wu, H, Rynkiewicz, M.J, Schulten, K, Seaton, B.A, McCormack, F.X. | Deposit date: | 2015-12-18 | Release date: | 2016-07-06 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations. Biochemistry, 55, 2016
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7R07
| Abortive infection DNA polymerase AbiK from Lactococcus lactis | Descriptor: | AbiK, DNA (5'-D(*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*C)-3'), MAGNESIUM ION | Authors: | Figiel, M, Gapinska, M, Czarnocki-Cieciura, M, Zajko, W, Nowotny, M. | Deposit date: | 2022-02-01 | Release date: | 2022-09-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Mechanism of protein-primed template-independent DNA synthesis by Abi polymerases. Nucleic Acids Res., 50, 2022
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5LJK
| Crystal structure of human apo CRBP1 | Descriptor: | Retinol-binding protein 1, SODIUM ION | Authors: | Zanotti, G, Vallese, F, Berni, R, Menozzi, I. | Deposit date: | 2016-07-18 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and molecular determinants affecting the interaction of retinol with human CRBP1. J. Struct. Biol., 197, 2017
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8DQT
| Human PDK1 kinase domain in complex with Valsartan | Descriptor: | (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL | Authors: | Gross, L.Z.F, Klinke, S, Biondi, R.M. | Deposit date: | 2022-07-19 | Release date: | 2023-06-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Modulation of the substrate specificity of the kinase PDK1 by distinct conformations of the full-length protein. Sci.Signal., 16, 2023
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5LKE
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5HCO
| Endothiapepsin in complex with hydrazide | Descriptor: | 4-(dimethylamino)benzohydrazide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2016-01-04 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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8SS0
| Human sterol 14 alpha-demethylase (CYP51) in complex with the reaction intermediate 14 alpha-aldehyde dihydrolanosterol | Descriptor: | 3beta-hydroxy-10alpha,13alpha-lanosta-8,24-dien-30-al, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hargrove, T.Y, Wawrzak, Z, Guengerich, F.P, Lepesheva, G.I. | Deposit date: | 2023-05-08 | Release date: | 2024-01-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Oxygen-18 Labeling Reveals a Mixed Fe-O Mechanism in the Last Step of Cytochrome P450 51 Sterol 14 alpha-Demethylation. Angew.Chem.Int.Ed.Engl., 63, 2024
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5HD7
| Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A. | Deposit date: | 2016-01-04 | Release date: | 2016-02-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Dissecting Therapeutic Resistance to ERK Inhibition. Mol.Cancer Ther., 15, 2016
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5LXW
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5HDX
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5HE4
| BACE-1 in complex with (4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium | Descriptor: | (2E,4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Orth, P. | Deposit date: | 2016-01-05 | Release date: | 2016-03-16 | Last modified: | 2016-04-27 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates. J.Med.Chem., 59, 2016
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7R1Q
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5JAX
| PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP | Descriptor: | 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, SODIUM ION, ... | Authors: | Campbell, J.C, Sankaran, B, Kim, C.W. | Deposit date: | 2016-04-12 | Release date: | 2017-04-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.486 Å) | Cite: | Structural Basis of Analog Specificity in PKG I and II. ACS Chem. Biol., 12, 2017
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7R1P
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5J95
| MAP4K4 in complex with inhibitor | Descriptor: | 1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid, Mitogen-activated protein kinase kinase kinase kinase 4 | Authors: | Liu, S. | Deposit date: | 2016-04-08 | Release date: | 2017-04-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | MAP4K4 in complex with inhibitor To Be Published
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5HGG
| Crystal structure of uPA in complex with a camelid-derived antibody fragment | Descriptor: | (3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-2-YL]BUTYL LAURATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Camelid Derived Antibody Fragment, ... | Authors: | Yung, K.W.Y, Kromann-Hansen, T, Andreasen, P.A, Ngo, J.C.K. | Deposit date: | 2016-01-08 | Release date: | 2016-06-01 | Last modified: | 2016-08-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | A Camelid-derived Antibody Fragment Targeting the Active Site of a Serine Protease Balances between Inhibitor and Substrate Behavior J.Biol.Chem., 291, 2016
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7RCU
| Synthetic Max homodimer mimic in complex with DNA | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2-(2,5-dioxopyrrolidin-1-yl)acetamide, ACETAMIDE, ... | Authors: | Speltz, T, Qiao, Z, Shangguan, S, Fanning, S, Greene, J, Moellering, R. | Deposit date: | 2021-07-08 | Release date: | 2022-09-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Targeting MYC with modular synthetic transcriptional repressors derived from bHLH DNA-binding domains. Nat.Biotechnol., 41, 2023
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8T71
| Crystal Structure of WT KRAS4a with bound GDP and Mg ion | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2023-06-19 | Release date: | 2024-02-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties. Sci Adv, 10, 2024
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8T72
| Crystal structure of WT KRAS4a with bound GMPPNP and Mg ion | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2023-06-19 | Release date: | 2024-02-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties. Sci Adv, 10, 2024
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8QPD
| Structure of thioredoxin m from pea | Descriptor: | Thioredoxin M-type, chloroplastic | Authors: | Neira, J.L, Camara Artigas, A. | Deposit date: | 2023-10-01 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure, dynamics and binding of thioredoxin m from Pisum sativum. Int.J.Biol.Macromol., 262, 2024
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5HLU
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8RPM
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8DVX
| Structure of acetylated Pig somatic Cytochrome c (Aly39) at 1.5A | Descriptor: | Cytochrome c, HEME C, HEXACYANOFERRATE(3-) | Authors: | Edwards, B.F.P, Huettemann, M, Vaishnav, A, Brunzelle, J, Morse, P, Wan, J. | Deposit date: | 2022-07-30 | Release date: | 2023-07-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle. Nat Commun, 14, 2023
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