6VW0
| Mycobacterium tuberculosis RNAP S456L mutant open promoter complex | Descriptor: | DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A. | Deposit date: | 2020-02-18 | Release date: | 2020-10-21 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VVX
| Mycobacterium tuberculosis WT RNAP transcription initiation intermediate structure with Sorangicin | Descriptor: | DNA (63-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lilic, M, Boyaci, H, Chen, J, Campbell, E.A, Darst, S.A. | Deposit date: | 2020-02-18 | Release date: | 2020-10-21 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase. Proc.Natl.Acad.Sci.USA, 117, 2020
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6CDX
| High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin | Descriptor: | cystine knot (fluoropropylated) | Authors: | Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V. | Deposit date: | 2018-02-09 | Release date: | 2019-08-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis. Nat Commun, 10, 2019
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6VVZ
| Mycobacterium tuberculosis RNAP S456L mutant transcription initiation intermediate structure with Sorangicin | Descriptor: | DNA (62-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A. | Deposit date: | 2020-02-18 | Release date: | 2020-10-21 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase. Proc.Natl.Acad.Sci.USA, 117, 2020
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5NNW
| NLPPya in complex with glucosamine | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose, 25 kDa protein elicitor, MAGNESIUM ION | Authors: | Podobnik, M, Anderluh, G, Lenarcic, T. | Deposit date: | 2017-04-10 | Release date: | 2017-12-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Eudicot plant-specific sphingolipids determine host selectivity of microbial NLP cytolysins. Science, 358, 2017
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5NO9
| NLPPya in complex with mannosamine | Descriptor: | 2-amino-2-deoxy-alpha-D-mannopyranose, 25 kDa protein elicitor, MAGNESIUM ION | Authors: | Podobnik, M, Anderluh, G, Lenarcic, T. | Deposit date: | 2017-04-11 | Release date: | 2017-12-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Eudicot plant-specific sphingolipids determine host selectivity of microbial NLP cytolysins. Science, 358, 2017
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6FX7
| Crystal structure of in vitro evolved Af1521 | Descriptor: | [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE, [Protein ADP-ribosylglutamate] hydrolase AF_1521 | Authors: | Karlberg, T, Thorsell, A.G, Nowak, K, Hottiger, M.O, Schuler, H. | Deposit date: | 2018-03-08 | Release date: | 2019-09-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Engineering Af1521 improves ADP-ribose binding and identification of ADP-ribosylated proteins. Nat Commun, 11, 2020
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4AX9
| Human thrombin complexed with Napsagatran, RO0466240 | Descriptor: | 2-[[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ... | Authors: | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K, Spinelli, S, Cambillau, C. | Deposit date: | 2012-06-11 | Release date: | 2012-06-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors. J.Med.Chem., 37, 1994
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4AYV
| Human thrombin - inhibitor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', SODIUM ION, ... | Authors: | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | Deposit date: | 2012-06-22 | Release date: | 2012-08-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors. J.Med.Chem., 37, 1994
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4AZ2
| Human thrombin - inhibitor complex | Descriptor: | (R)-N-((S)-1-CARBAMIMIDOYL-PIPERIDIN-3-YLMETHYL)-2-(NAPHTHALENE-2-SULFONYLAMINO)-3-PHENYL-PROPIONAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', ... | Authors: | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | Deposit date: | 2012-06-22 | Release date: | 2012-08-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors. J.Med.Chem., 37, 1994
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4AYY
| Human thrombin - inhibitor complex | Descriptor: | (R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', ... | Authors: | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | Deposit date: | 2012-06-22 | Release date: | 2012-08-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors. J.Med.Chem., 37, 1994
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5O22
| E. coli FolD in complex with carolacton | Descriptor: | Bifunctional protein FolD, Carolacton | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2017-05-19 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD. Nat Commun, 8, 2017
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3EWU
| D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-acetyl-UMP, covalent adduct | Descriptor: | 6-ethyluridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ... | Authors: | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | Deposit date: | 2008-10-16 | Release date: | 2009-04-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase Chemistry, 15, 2009
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2WET
| Crystal structure of tryptophan 5-halogenase (PyrH) complex with FAD (tryptophan) | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | De Laurentis, W, Zhu, X, Naismith, J.H. | Deposit date: | 2009-04-01 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insights in the Regioselectivity in the Enzymatic Chlorination of Tryptophan. J.Mol.Biol., 391, 2009
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5O28
| E. coli FolD apo | Descriptor: | Bifunctional protein FolD | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2017-05-19 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD. Nat Commun, 8, 2017
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2WES
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7NAM
| LRP6_E1 in complex with Lr-EET-3.5 | Descriptor: | Low-density lipoprotein receptor-related protein 6, SODIUM ION, Trypsin inhibitor 2, ... | Authors: | Hansen, S, Hannoush, R.N. | Deposit date: | 2021-06-21 | Release date: | 2022-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Directed evolution identifies high-affinity cystine-knot peptide agonists and antagonists of Wnt/ beta-catenin signaling. Proc.Natl.Acad.Sci.USA, 119, 2022
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3EWX
| K314A mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, degraded to BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine-5'-phosphate decarboxylase | Authors: | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | Deposit date: | 2008-10-16 | Release date: | 2009-04-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase Chemistry, 15, 2009
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6VVT
| Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase and antibiotic Sorangicin | Descriptor: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ... | Authors: | Lilic, M, Darst, S.A, Campbell, E.A. | Deposit date: | 2020-02-18 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase. Proc.Natl.Acad.Sci.USA, 117, 2020
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7NUR
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2WEU
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2WCX
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7O0N
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6VVV
| Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase | Descriptor: | DNA (26-MER), DNA (31-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lilic, M, Darst, S.A, Campbell, E.A. | Deposit date: | 2020-02-18 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase. Proc.Natl.Acad.Sci.USA, 117, 2020
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6BA2
| Crystal structure of MYST acetyltransferase domain in complex with inhibitor | Descriptor: | 4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, CHLORIDE ION, GLYCEROL, ... | Authors: | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | Deposit date: | 2017-10-11 | Release date: | 2018-08-01 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.85003817 Å) | Cite: | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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