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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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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7M5A
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7M5B
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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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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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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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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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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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4LIL
 | | Crystal structure of the catalytic subunit of human primase bound to UTP and Mn | | Descriptor: | DNA primase small subunit, MANGANESE (II) ION, URIDINE 5'-TRIPHOSPHATE, ... | | Authors: | Vaithiyalingam, S, Eichman, B.F, Chazin, W.J. | | Deposit date: | 2013-07-02 | | Release date: | 2013-12-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Insights into Eukaryotic Primer Synthesis from Structures of the p48 Subunit of Human DNA Primase.
J.Mol.Biol., 426, 2014
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