7QEV
 
 | | human Connexin 26 at 55mm Hg PCO2, pH7.4:two masked subunits, class D | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | Authors: | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | Deposit date: | 2021-12-03 | | Release date: | 2022-06-15 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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5HD4
 | | Dissecting Therapeutic Resistance to ERK Inhibition Rat Wild Type 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, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 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: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
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8R5V
 | | Crystal structure of bovine pancreatic ribonuclease A in complex with [Sp-PS]-mU-dT dinucleotide | | Descriptor: | 1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, DICHLORO-ACETIC ACID, Ribonuclease pancreatic | | Authors: | Dolot, R, Jastrzebska, K, Antonczyk, P. | | Deposit date: | 2023-11-17 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis of P-stereodefined morpholino dinucleoside-3',6'-thiophosphoramidates using unexpected activator.
To Be Published
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5HMP
 | | Myosin Vc pre-powerstroke state | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | | Authors: | Ropars, V, Pylypenko, O, Sweeney, H.L, Houdusse, A. | | Deposit date: | 2016-01-16 | | Release date: | 2016-09-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | The myosin X motor is optimized for movement on actin bundles.
Nat Commun, 7, 2016
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7QES
 | | human Connexin 26 at 55mm Hg PCO2, pH7.4: two masked subunits, class A | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | Authors: | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | Deposit date: | 2021-12-03 | | Release date: | 2022-06-15 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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5KOQ
 | | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S})-piperidin-3-yl]pyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | | Deposit date: | 2016-07-01 | | Release date: | 2016-11-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors.
Bioorg.Med.Chem., 24, 2016
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5HDI
 | | Structural characterization of CYP144A1, a Mycobacterium tuberculosis cytochrome P450 | | Descriptor: | Cytochrome P450 144, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Chenge, J, Driscoll, M.D, McLean, K.J, Munro, A.W, Leys, D. | | Deposit date: | 2016-01-05 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural characterization of CYP144A1 - a cytochrome P450 enzyme expressed from alternative transcripts in Mycobacterium tuberculosis.
Sci Rep, 6, 2016
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7QEO
 | | human Connexin 26 at 55mm Hg PCO2, pH7.4: two masked subunits, class C | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | Authors: | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | Deposit date: | 2021-12-03 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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8DHY
 | | N-terminal fragment of MsbA fused to GFP in complex with copper(II) | | Descriptor: | COPPER (II) ION, Fusion protein of MsbA N-terminal fragment and GFP,Green fluorescent protein | | Authors: | Schrecke, S.R, Zhang, T, Lyu, J, Laganowsky, A. | | Deposit date: | 2022-06-28 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural basis for lipid and copper regulation of the ABC transporter MsbA.
Nat Commun, 13, 2022
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5HE5
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8QUG
 | | KRAS-G12C in Complex with Compound 1 | | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Fischer, G, Kratochvil, B. | | Deposit date: | 2023-10-16 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
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5HR1
 | | Crystal structure of thioredoxin L107A mutant | | Descriptor: | COPPER (II) ION, Thioredoxin-1 | | 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: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.144 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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5HRQ
 | | Insulin with proline analog HzP at position B28 in the R6 state | | Descriptor: | CHLORIDE ION, Insulin A-Chain, Insulin B-Chain, ... | | Authors: | Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A. | | Deposit date: | 2016-01-24 | | Release date: | 2017-01-25 | | Last modified: | 2020-01-15 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | 4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation.
J. Am. Chem. Soc., 139, 2017
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5KKQ
 | | Homo sapiens CCCTC-binding factor (CTCF) ZnF3-7 and DNA complex structure | | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*GP*CP*AP*GP*GP*GP*GP*GP*CP*GP*CP*TP*A)-3'), DNA (5'-D(*TP*AP*GP*CP*GP*CP*CP*CP*CP*CP*TP*GP*CP*TP*GP*GP*C)-3'), Transcriptional repressor CTCF, ... | | Authors: | Hashimoto, H, Wang, D, Cheng, X. | | Deposit date: | 2016-06-22 | | Release date: | 2017-05-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.744 Å) | | Cite: | Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA.
Mol. Cell, 66, 2017
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8R8D
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5KL5
 | | Wilms Tumor Protein (WT1) ZnF2-4 Q369H in complex with carboxylated DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.289 Å) | | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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7QYH
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5HGC
 | | A Serpin structure | | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose, SULFATE ION, ... | | Authors: | Das, S, Vashchenko, G.V, Van Petegem, F. | | Deposit date: | 2016-01-08 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | A Serpin structure
J.Biol.Chem., 2016
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5HGJ
 | | Structure of integrin alpha1beta1 and alpha2beta1 I-domains explain differential calcium-mediated ligand recognition | | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Brown, K.L, Banerjee, S, Feigley, A, Abe, H, Blackwell, T, Zent, R, Pozzi, A, Hudson, B.H. | | Deposit date: | 2016-01-08 | | Release date: | 2017-04-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Salt-bridge modulates differential calcium-mediated ligand binding to integrin alpha 1- and alpha 2-I domains.
Sci Rep, 8, 2018
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8QWY
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-((5-isopropoxy-2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acid | | Descriptor: | 4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-20 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
To Be Published
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7QZO
 | | Crystal structure of GacS D1 domain | | Descriptor: | CADMIUM ION, GLYCEROL, Histidine kinase | | Authors: | Fadel, F, Bassim, V, Botzanowski, T, Francis, V.I, Legrand, P, Porter, S.L, Bourne, Y, Cianferani, S, Vincent, F. | | Deposit date: | 2022-01-31 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Insights into the atypical autokinase activity of the Pseudomonas aeruginosa GacS histidine kinase and its interaction with RetS.
Structure, 30, 2022
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5HH3
 | | OxyA from Actinoplanes teichomyceticus | | Descriptor: | ACETATE ION, GLYCEROL, OxyA protein, ... | | Authors: | Haslinger, K, Cryle, M.J. | | Deposit date: | 2016-01-09 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of OxyAtei : completing our picture of the glycopeptide antibiotic producing Cytochrome P450 cascade.
Febs Lett., 590, 2016
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5HHJ
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5HZ5
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8R94
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