5V3Z
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5V41
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5V42
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5V3Y
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5V3W
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5V3X
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5V40
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7M7V
| Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6 | Descriptor: | 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide, Polyketide synthase Pks13 | Authors: | Aggarwal, A, Sacchettini, J.C. | Deposit date: | 2021-03-29 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target. J.Med.Chem., 65, 2022
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2VU5
| Crystal structure of Pndk from Bacillus anthracis | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE | Authors: | Misra, G, Aggarwal, A, Dube, D, Zaman, M.S, Singh, Y, Ramachandran, R. | Deposit date: | 2008-05-21 | Release date: | 2009-03-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Bacillus Anthracis Nucleoside Diphosphate Kinase and its Characterization Reveals an Enzyme Adapted to Perform Under Stress Conditions. Proteins, 76, 2009
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6W32
| Crystal structure of Sfh5 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Phosphatidylinositol transfer protein SFH5 | Authors: | Gulten, G, Khan, D, Aggarwal, A, Krieger, I, Sacchettini, J.C, Bankaitis, V.A. | Deposit date: | 2020-03-08 | Release date: | 2020-11-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Sec14-like phosphatidylinositol transfer protein paralog defines a novel class of heme-binding proteins. Elife, 9, 2020
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7M5C
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7M5B
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7M5A
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6UWA
| Mouse PKC C1B and C2 domains | Descriptor: | CITRIC ACID, LEAD (II) ION, Protein kinase C, ... | Authors: | Aggarwal, A, Mire, J, Sacchettini, J.C, Igumenova, T. | Deposit date: | 2019-11-04 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Mouse PKC C1B and C2 domains To Be Published
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8BON
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2LWE
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2LWD
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1IF1
| INTERFERON REGULATORY FACTOR 1 (IRF-1) COMPLEX WITH DNA | Descriptor: | DNA (26-MER), PROTEIN (INTERFERON REGULATORY FACTOR 1) | Authors: | Escalante, C.R, Yie, J, Thanos, D, Aggarwal, A. | Deposit date: | 1997-09-12 | Release date: | 1998-02-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of IRF-1 with bound DNA reveals determinants of interferon regulation. Nature, 391, 1998
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7E9Y
| Crystal structure of eLACCO1 | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, CALCIUM ION, Lactate-binding periplasmic protein TTHA0766,Lactate-binding periplasmic protein TTHA0766 | Authors: | Wen, Y, Campbell, R.E, Lemieux, M.J, Nasu, Y. | Deposit date: | 2021-03-05 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A genetically encoded fluorescent biosensor for extracellular L-lactate. Nat Commun, 12, 2021
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8TOR
| ACE2-peptide 2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Christie, M, Payne, R.J. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TOS
| ACE2-peptide 6 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Christie, M, Payne, R. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TOQ
| ACE2-peptide 1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Christie, M, Payne, R.J. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TOU
| ACE2-peptide 2 complex crystal form 3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Franck, C, Payne, R.J, Christie, M. | Deposit date: | 2023-08-04 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TOT
| ACE2-peptide2 complex crystal form 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Christie, M, Payne, R.J. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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7VCM
| crystal structure of GINKO1 | Descriptor: | Green fluorescent protein,Potassium binding protein Kbp,Green fluorescent protein, POTASSIUM ION | Authors: | Wen, Y, Campbell, R.E, Lemieux, M.J. | Deposit date: | 2021-09-03 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A sensitive and specific genetically-encoded potassium ion biosensor for in vivo applications across the tree of life. Plos Biol., 20, 2022
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