8DEG
 
 | | Crystal structure of DLK in complex with inhibitor DN0011197 | | Descriptor: | Mitogen-activated protein kinase kinase kinase 12, methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate | | Authors: | Srivastava, A, Lexa, K, de Vicente, J. | | Deposit date: | 2022-06-20 | | Release date: | 2022-12-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Discovery of Potent and Selective Dual Leucine Zipper Kinase/Leucine Zipper-Bearing Kinase Inhibitors with Neuroprotective Properties in In Vitro and In Vivo Models of Amyotrophic Lateral Sclerosis.
J.Med.Chem., 65, 2022
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8DKB
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8CXR
 | | Crystal structure of MraY bound to a sphaerimicin analogue | | Descriptor: | (1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | Authors: | Mashalidis, E.H, Lee, S.Y. | | Deposit date: | 2022-05-22 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Synthesis of macrocyclic nucleoside antibacterials and their interactions with MraY.
Nat Commun, 13, 2022
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8E22
 | | VPS37A_21-148 | | Descriptor: | Vacuolar protein sorting-associated protein 37A | | Authors: | Tian, F, Ye, Y.S. | | Deposit date: | 2022-08-12 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Identification of membrane curvature sensing motifs essential for VPS37A phagophore recruitment and autophagosome closure.
Commun Biol, 7, 2024
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8EGD
 | | Branched chain ketoacid dehydrogenase kinase in complex with inhibitor | | Descriptor: | 5-(4-methoxyphenyl)-1H-tetrazole, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2022-09-12 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
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8EGQ
 | | Branched chain ketoacid dehydrogenase kinase complexes | | Descriptor: | (2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | | Authors: | Liu, S. | | Deposit date: | 2022-09-13 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.955 Å) | | Cite: | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
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8EGF
 | | Branched chain ketoacid dehydrogenase kinase in complex with inhibitor | | Descriptor: | (5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole, ADENOSINE-5'-DIPHOSPHATE, POTASSIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2022-09-12 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
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8EGU
 | | Branched chain ketoacid dehydrogenase kinase complexes | | Descriptor: | (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | | Authors: | Liu, S. | | Deposit date: | 2022-09-13 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.923 Å) | | Cite: | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
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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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8ETR
 | | CryoEM Structure of NLRP3 NACHT domain in complex with G2394 | | Descriptor: | (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Murray, J.M, Johnson, M.C. | | Deposit date: | 2022-10-17 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Overcoming Preclinical Safety Obstacles to Discover ( S )- N -((1,2,3,5,6,7-Hexahydro- s -indacen-4-yl)carbamoyl)-6-(methylamino)-6,7-dihydro-5 H -pyrazolo[5,1- b ][1,3]oxazine-3-sulfonamide (GDC-2394): A Potent and Selective NLRP3 Inhibitor.
J.Med.Chem., 65, 2022
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2Z0Z
 | | Crystal structure of putative acetyltransferase | | Descriptor: | Putative uncharacterized protein TTHA1799, SULFATE ION | | Authors: | Murayama, K, Kato-Murayama, M, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-05-07 | | Release date: | 2007-11-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Genetic Encoding of 3-Iodo-l-Tyrosine in Escherichia coli for Single-Wavelength Anomalous Dispersion Phasing in Protein Crystallography
Structure, 17, 2009
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2Z10
 | | Crystal structure of putative acetyltransferase | | Descriptor: | Ribosomal-protein-alanine acetyltransferase | | Authors: | Murayama, K, Kato-Murayama, M, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-05-07 | | Release date: | 2007-11-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Genetic Encoding of 3-Iodo-l-Tyrosine in Escherichia coli for Single-Wavelength Anomalous Dispersion Phasing in Protein Crystallography
Structure, 17, 2009
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2ZIY
 | | Crystal structure of squid rhodopsin | | Descriptor: | PALMITIC ACID, RETINAL, Rhodopsin | | Authors: | Miyano, M, Shimamura, T. | | Deposit date: | 2008-02-27 | | Release date: | 2008-05-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Crystal structure of squid rhodopsin with intracellularly extended cytoplasmic region
J.Biol.Chem., 283, 2008
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2ZXV
 | | Crystal structure of putative acetyltransferase from T. thermophilus HB8 | | Descriptor: | Putative uncharacterized protein TTHA1799 | | Authors: | Murayama, K, Kato-Murayama, M, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2009-01-08 | | Release date: | 2009-02-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Genetic Encoding of 3-Iodo-l-Tyrosine in Escherichia coli for Single-Wavelength Anomalous Dispersion Phasing in Protein Crystallography
Structure, 17, 2009
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3A07
 | | Crystal Structure of Actinohivin; Potent anti-HIV Protein | | Descriptor: | Actinohivin, SODIUM ION | | Authors: | Tsunoda, M, Suzuki, K, Sagara, T, Takenaka, A. | | Deposit date: | 2009-03-04 | | Release date: | 2009-08-25 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Mechanism by which the lectin actinohivin blocks HIV infection of target cells
Proc.Natl.Acad.Sci.USA, 106, 2009
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3A8W
 | | Crystal Structure of PKCiota kinase domain | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Protein kinase C iota type, SULFATE ION | | Authors: | Takimura, T, Kamata, K. | | Deposit date: | 2009-10-11 | | Release date: | 2010-05-05 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of the PKC-iota kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533-551 in the C-terminal tail and their roles in ATP binding
Acta Crystallogr.,Sect.D, 66, 2010
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3AFH
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3A56
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3A8X
 | | Crystal Structure of PKCiota kinase domain | | Descriptor: | Protein kinase C iota type, SULFATE ION | | Authors: | Takimura, T, Kamata, K. | | Deposit date: | 2009-10-11 | | Release date: | 2010-05-05 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of the PKC-iota kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533-551 in the C-terminal tail and their roles in ATP binding
Acta Crystallogr.,Sect.D, 66, 2010
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2ZHP
 | | Crystal structure of bleomycin-binding protein from Streptoalloteichus hindustanus complexed with bleomycin derivative | | Descriptor: | Bleomycin resistance protein, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Okumura, H, Miyazaki, I, Simizu, S, Osada, H. | | Deposit date: | 2008-02-06 | | Release date: | 2009-02-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Affinity Relationship Study of Bleomycins and Shble protein Using a Chemical Array
To be Published
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3AQJ
 | | Crystal Structure of a C-terminal domain of the bacteriophage P2 tail spike protein, gpV | | Descriptor: | Baseplate assembly protein V, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Takeda, S, Yamashita, E, Nakagawa, A. | | Deposit date: | 2010-11-06 | | Release date: | 2011-08-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | The host-binding domain of the P2 phage tail spike reveals a trimeric iron-binding structure
Acta Crystallogr.,Sect.F, 67, 2011
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3AUN
 | | Crystal structure of the rat vitamin D receptor ligand binding domain complexed with YR335 and a synthetic peptide containing the NR2 box of DRIP 205 | | Descriptor: | (2R)-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}butane-1,4-diol, DRIP 205 NR2 box peptide, Vitamin D3 receptor | | Authors: | Kakuda, S, Takimoto-Kamimura, M. | | Deposit date: | 2011-02-10 | | Release date: | 2012-02-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Design, synthesis and X-ray crystallographic study of new nonsecosteroidal vitamin D receptor ligands
Bioorg.Med.Chem.Lett., 21, 2011
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3AU4
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