7EBG
 
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 7 | | Descriptor: | 3,3-dimethyl-7-(methylamino)-1H-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | Deposit date: | 2021-03-09 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EBB
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 2 | | Descriptor: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | Deposit date: | 2021-03-09 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EA0
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 1 | | Descriptor: | 1,3-dihydro-2H-indol-2-one, ACETATE ION, CHLORIDE ION, ... | | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | Deposit date: | 2021-03-05 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EBH
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 13 | | Descriptor: | 5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine, ACETATE ION, CHLORIDE ION, ... | | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | Deposit date: | 2021-03-09 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EAS
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 2 | | Descriptor: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ACETATE ION, CHLORIDE ION, ... | | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | Deposit date: | 2021-03-08 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7N7X
 | | Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution | | Descriptor: | Orladeyo, PHOSPHATE ION, Plasma kallikrein light chain | | Authors: | Krishnan, R, Yarlagadda, B.S, Kotian, P, Polach, K.J, Zhang, W. | | Deposit date: | 2021-06-11 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE).
J.Med.Chem., 64, 2021
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6MWB
 | | NavAb Voltage-gated Sodium Channel, residues 1-239 with mutation T206A | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein, ... | | Authors: | Lenaeus, M.J, Catterall, W.A. | | Deposit date: | 2018-10-29 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular dissection of multiphase inactivation of the bacterial sodium channel NaVAb.
J. Gen. Physiol., 151, 2019
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6MWD
 | | NavAb Voltage-gated Sodium Channel, residues 1-239 with mutation T206S | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ACETATE ION, ... | | Authors: | Lenaeus, M.J, Catterall, W.A. | | Deposit date: | 2018-10-29 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.327 Å) | | Cite: | Molecular dissection of multiphase inactivation of the bacterial sodium channel NaVAb.
J. Gen. Physiol., 151, 2019
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6MWA
 | | NavAb Voltage-gated Sodium Channel, residues 1-239 | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein, ... | | Authors: | Lenaeus, M.J, Catterall, W.A. | | Deposit date: | 2018-10-29 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular dissection of multiphase inactivation of the bacterial sodium channel NaVAb.
J. Gen. Physiol., 151, 2019
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6MWG
 | | NavAb Voltage-gated Sodium Channel, residues 1-239, with mutation T206V | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ACETATE ION, ... | | Authors: | Lenaeus, M.J, Catterall, W.A. | | Deposit date: | 2018-10-29 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Molecular dissection of multiphase inactivation of the bacterial sodium channel NaVAb.
J. Gen. Physiol., 151, 2019
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3A3C
 | | Crystal structure of TIM40/MIA40 fusing MBP, C296S and C298S mutant | | Descriptor: | Maltose-binding periplasmic protein, LINKER, Mitochondrial intermembrane space import and assembly protein 40, ... | | Authors: | Kawano, S, Naoe, M, Momose, T, Watanabe, N, Endo, T. | | Deposit date: | 2009-06-11 | | Release date: | 2009-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of yeast Tim40/Mia40 as an oxidative translocator in the mitochondrial intermembrane space.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2ZXT
 | | Crystal structure of Tim40/MIA40, a disulfide relay system in mitochondria, solved as MBP fusion protein | | Descriptor: | Maltose-binding periplasmic protein, LINKER, Mitochondrial intermembrane space import and assembly protein 40, ... | | Authors: | Kawano, S, Momose, T, Watanabe, N, Endo, T. | | Deposit date: | 2009-01-07 | | Release date: | 2009-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of yeast Tim40/Mia40 as an oxidative translocator in the mitochondrial intermembrane space.
Proc.Natl.Acad.Sci.USA, 106, 2009
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4R1B
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4R1C
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4R19
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4R1A
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6JSJ
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5VB8
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5VB2
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4K3N
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4K5O
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7K0Z
 | | Marsupial T cell receptor Spl_157 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, T cell receptor gamma chain, T cell receptor mu chain | | Authors: | Wegrecki, M, Kannan Sivaraman, K, Le Nours, J, Rossjohn, J. | | Deposit date: | 2020-09-06 | | Release date: | 2021-03-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The molecular assembly of the marsupial gamma mu T cell receptor defines a third T cell lineage.
Science, 371, 2021
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7K0X
 | | Marsupial T cell receptor Spl_145 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, T cell receptor gamma chain, T cell receptor mu chain, ... | | Authors: | Wegrecki, M, Kannan Sivaraman, K, Le Nours, J, Rossjohn, J. | | Deposit date: | 2020-09-06 | | Release date: | 2021-03-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The molecular assembly of the marsupial gamma mu T cell receptor defines a third T cell lineage.
Science, 371, 2021
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7L15
 | | Marsupial T cell receptor Spl_118 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, T cell receptor gamma chain, ... | | Authors: | Wegrecki, M, Kannan Sivaraman, K, Praveena, T, Le Nours, J, Rossjohn, J. | | Deposit date: | 2020-12-14 | | Release date: | 2021-03-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The molecular assembly of the marsupial gamma mu T cell receptor defines a third T cell lineage.
Science, 371, 2021
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4K5N
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