7M8I
| Human CYP11B2 and human adrenodoxin in complex with fadrozole | Descriptor: | 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Adrenodoxin, Cytochrome P450 11B2, ... | Authors: | Scott, E.E, Brixius-Anderko, S. | Deposit date: | 2021-03-29 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structural and functional insights into aldosterone synthase interaction with its redox partner protein adrenodoxin. J.Biol.Chem., 296, 2021
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5M5A
| Crystal structure of MELK in complex with an inhibitor | Descriptor: | CHLORIDE ION, K-252A, Maternal embryonic leucine zipper kinase, ... | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | Deposit date: | 2016-10-21 | Release date: | 2017-12-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The target landscape of clinical kinase drugs. Science, 358, 2017
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7Y62
| Crystal structure of human TFEB HLHLZ domain | Descriptor: | Transcription factor EB | Authors: | Yang, G, Li, P, Lin, Y, Liu, Z, Sun, H, Zhao, Z, Fang, P, Wang, J. | Deposit date: | 2022-06-18 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A small-molecule drug inhibits autophagy gene expression through the central regulator TFEB. Proc.Natl.Acad.Sci.USA, 120, 2023
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6AZE
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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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5N2O
| Structure Of P63 SAM Domain L514F Mutant Causative Of AEC Syndrome | Descriptor: | Tumor protein 63 | Authors: | Rinnenthal, J, Wuerz, J.M, Osterburg, C, Guentert, P, Doetsch, V. | Deposit date: | 2017-02-08 | Release date: | 2018-02-07 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Protein aggregation of the p63 transcription factor underlies severe skin fragility in AEC syndrome. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7MFC
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7LM2
| HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 3C | Descriptor: | 1,2-ETHANEDIOL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ... | Authors: | Lesburg, C.A, Augustin, M. | Deposit date: | 2021-02-05 | Release date: | 2021-04-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Projected Dose Optimization of Amino- and Hydroxypyrrolidine Purine PI3K delta Immunomodulators. J.Med.Chem., 64, 2021
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3QTI
| c-Met Kinase in Complex with NVP-BVU972 | Descriptor: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline, CHLORIDE ION, GLYCEROL, ... | Authors: | Appleton, B.A. | Deposit date: | 2011-02-22 | Release date: | 2011-07-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Drug Resistance Screen Using a Selective MET Inhibitor Reveals a Spectrum of Mutations That Partially Overlap with Activating Mutations Found in Cancer Patients. Cancer Res., 71, 2011
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7S1W
| The AAVrh.10-glycan complex | Descriptor: | Capsid protein VP1, beta-D-galactopyranose | Authors: | Mietzsch, M, McKenna, R. | Deposit date: | 2021-09-02 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Structural Study of Aavrh.10 Receptor and Antibody Interactions. J.Virol., 95, 2021
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7S65
| Compressed conformation of nighttime state KaiC | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, ... | Authors: | Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C. | Deposit date: | 2021-09-13 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Coupling of distant ATPase domains in the circadian clock protein KaiC. Nat.Struct.Mol.Biol., 29, 2022
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7S66
| Extended conformation of nighttime state KaiC | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION | Authors: | Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C. | Deposit date: | 2021-09-13 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Coupling of distant ATPase domains in the circadian clock protein KaiC. Nat.Struct.Mol.Biol., 29, 2022
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7SI9
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-10-12 | Release date: | 2021-10-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7S2Y
| SAMHD1 HD domain bound to CNDAC | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{2-cyano-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Digianantonio, K.M, Xiong, Y. | Deposit date: | 2021-09-04 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Differences between intrinsic and acquired nucleoside analogue resistance in acute myeloid leukaemia cells. J Exp Clin Cancer Res, 40, 2021
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7S5H
| PCSK9(deltaCRD) in complex with cyclic peptide 35 | Descriptor: | (2E)-but-2-ene-1,4-diol, Pro-peptide from Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9, ... | Authors: | Orth, P. | Deposit date: | 2021-09-10 | Release date: | 2021-11-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.272 Å) | Cite: | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors. J.Med.Chem., 64, 2021
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7SG4
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7S5G
| PCSK9 in complex with compound 19 | Descriptor: | (2E)-but-2-ene-1,4-diol, GLYCEROL, Propeptide of Proprotein convertase subtilisin/kexin type 9, ... | Authors: | Orth, P. | Deposit date: | 2021-09-10 | Release date: | 2021-11-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.041 Å) | Cite: | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors. J.Med.Chem., 64, 2021
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6UV7
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7S89
| Open apo-state cryo-EM structure of human TRPV6 in cNW11 nanodiscs | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2021-09-17 | Release date: | 2021-11-17 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | Structural mechanisms of TRPV6 inhibition by ruthenium red and econazole. Nat Commun, 12, 2021
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7S8C
| Cryo-EM structure of human TRPV6 in complex with inhibitor econazole | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, CALCIUM ION, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2021-09-17 | Release date: | 2021-11-17 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Structural mechanisms of TRPV6 inhibition by ruthenium red and econazole. Nat Commun, 12, 2021
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7SEX
| M. tb EgtD in complex with TGX221 | Descriptor: | 7-methyl-2-morpholin-4-yl-9-[(1~{R})-1-phenylazanylethyl]-3~{H}-pyrido[1,2-a]pyrimidin-4-one, GLYCEROL, Histidine N-alpha-methyltransferase | Authors: | Sudasinghe, T.D, Ronning, D.R. | Deposit date: | 2021-10-02 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production. Sci Rep, 11, 2021
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7S88
| Open apo-state cryo-EM structure of human TRPV6 in glyco-diosgenin detergent | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2021-09-17 | Release date: | 2021-11-17 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Structural mechanisms of TRPV6 inhibition by ruthenium red and econazole. Nat Commun, 12, 2021
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7SEY
| M. tb EgtD in complex with SGH | Descriptor: | 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one, Histidine N-alpha-methyltransferase | Authors: | Sudasinghe, T.D, Ronning, D.R. | Deposit date: | 2021-10-02 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production. Sci Rep, 11, 2021
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7SEW
| M. tb EgtD in complex with HD6 | Descriptor: | 1,3-PROPANDIOL, GLYCEROL, Histidine N-alpha-methyltransferase, ... | Authors: | Sudasinghe, T.D, Ronning, D.R. | Deposit date: | 2021-10-02 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production. Sci Rep, 11, 2021
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7SF5
| M. tb EgtD in complex with HD3 | Descriptor: | Histidine N-alpha-methyltransferase, N-(benzylcarbamothioyl)-L-histidine | Authors: | Sudasinghe, T.D, Ronning, D.R. | Deposit date: | 2021-10-03 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production. Sci Rep, 11, 2021
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