8F5F
| human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | Descriptor: | (2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | Deposit date: | 2022-11-14 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.149 Å) | Cite: | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels. Nat Commun, 14, 2023
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8F5J
| human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | Descriptor: | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | Deposit date: | 2022-11-14 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels. Nat Commun, 14, 2023
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8F5S
| human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | Descriptor: | (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | Deposit date: | 2022-11-15 | Release date: | 2023-07-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.793 Å) | Cite: | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels. Nat Commun, 14, 2023
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6TQK
| Cryo-EM of native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, ... | Authors: | Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L. | Deposit date: | 2019-12-16 | Release date: | 2020-11-04 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Cryo-EM structure of native human uromodulin, a zona pellucida module polymer. Embo J., 39, 2020
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6T5I
| The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with inhibitor of WNT production (IWP)-2 | Descriptor: | DIMETHYL SULFOXIDE, Listeriolysin positive regulatory factor A, SODIUM ION, ... | Authors: | Oelker, M, Grundstrom, C, Blumenthal, A, Sauer-Eriksson, A.E. | Deposit date: | 2019-10-16 | Release date: | 2021-10-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages. Plos Pathog., 18, 2022
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3KF2
| The HCV NS3/NS4A protease apo structure | Descriptor: | 19-mer peptide from Genome polyprotein, Polyprotein, ZINC ION | Authors: | Lindberg, J.D, Nystrom, S, Cummings, M.D. | Deposit date: | 2009-10-27 | Release date: | 2010-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Induced-Fit Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target Angew.Chem.Int.Ed.Engl., 49, 2010
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1FBR
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3KTR
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3KYR
| Bace-1 in complex with a norstatine type inhibitor | Descriptor: | 3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid, Beta-secretase 1 | Authors: | Lindberg, J.D, Borkakoti, N, Derbyshire, D, Nystrom, S. | Deposit date: | 2009-12-07 | Release date: | 2010-12-29 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Investigation of a-phenylnorstatine and a-benzylnorstatine as transition state isostere motifs in the search for new BACE-1 inhibiotrs To be Published
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8QBN
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8QE8
| Structure of the non-canonical CTLH E3 substrate receptor WDR26 bound to NMNAT1 substrate | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1, WD repeat-containing protein 26, ... | Authors: | Chrustowicz, J, Sherpa, D, Schulman, B.A. | Deposit date: | 2023-08-30 | Release date: | 2024-05-15 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Non-canonical substrate recognition by the human WDR26-CTLH E3 ligase regulates prodrug metabolism. Mol.Cell, 84, 2024
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3KTP
| Structural basis of GW182 recognition by poly(A)-binding protein | Descriptor: | Polyadenylate-binding protein 1, Trinucleotide repeat-containing gene 6C protein | Authors: | Kozlov, G, Gehring, K. | Deposit date: | 2009-11-25 | Release date: | 2010-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of binding of P-body-associated proteins GW182 and ataxin-2 by the Mlle domain of poly(A)-binding protein. J.Biol.Chem., 285, 2010
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6TQL
| Cryo-EM of elastase-treated human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L. | Deposit date: | 2019-12-16 | Release date: | 2020-11-04 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Cryo-EM structure of native human uromodulin, a zona pellucida module polymer. Embo J., 39, 2020
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3KUS
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3KUR
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3KEE
| HCV NS3/NS4A complexed with Non-covalent macrocyclic compound TMC435 | Descriptor: | (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 19-mer peptide from Genome polyprotein, GLYCEROL, ... | Authors: | Lindberg, J.D, Nystrom, S, Cummings, M.D. | Deposit date: | 2009-10-26 | Release date: | 2010-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Induced-Fit Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target Angew.Chem.Int.Ed.Engl., 49, 2010
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7NB4
| Structure of Mcl-1 complex with compound 1 | Descriptor: | (2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues. Acs Omega, 6, 2021
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7NB7
| Structure of Mcl-1 complex with compound 6b | Descriptor: | (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues. Acs Omega, 6, 2021
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7Z60
| Human transthyretin (TTR) complexed with Quercetin 3-O-beta-D-galactoside | Descriptor: | 1,2-ETHANEDIOL, 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one, IMIDAZOLE, ... | Authors: | Ciccone, L, Braca, A, Orlandini, E, Nencetti, S. | Deposit date: | 2022-03-10 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Antioxidant Quercetin 3-O-Glycosylated Plant Flavonols Contribute to Transthyretin Stabilization Crystals, 12, 2022
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3KUT
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8P2L
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8P2M
| C. elegans TIR-1 protein. | Descriptor: | NAD(+) hydrolase tir-1 | Authors: | Isupov, M.N, Opatowsky, Y. | Deposit date: | 2023-05-16 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.82 Å) | Cite: | Structure-function analysis of ceTIR-1/hSARM1 explains the lack of Wallerian axonal degeneration in C. elegans. Cell Rep, 42, 2023
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6TI8
| IRAK4 IN COMPLEX WITH inhibitor | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide | Authors: | Xue, Y, Aagaard, A, Degorce, S.L. | Deposit date: | 2019-11-22 | Release date: | 2020-10-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors. Bioorg.Med.Chem., 28, 2020
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6THZ
| IRAK4 IN COMPLEX WITH inhibitor | Descriptor: | 7-fluoranyl-~{N}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine, Interleukin-1 receptor-associated kinase 4 | Authors: | Xue, Y, Aagaard, A, Degorce, S.L. | Deposit date: | 2019-11-21 | Release date: | 2020-10-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors. Bioorg.Med.Chem., 28, 2020
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6UFI
| W96Y Oxalate Decarboxylase (Bacillus subtilis) | Descriptor: | CHLORIDE ION, Cupin domain-containing protein, GLYCEROL, ... | Authors: | Pastore, A.J, Burg, M.J, Twahir, U.T, Bruner, S.D, Angerhofer, A. | Deposit date: | 2019-09-24 | Release date: | 2020-09-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Oxalate decarboxylase uses electron hole hopping for catalysis. J.Biol.Chem., 297, 2021
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