8SDF
 
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8SDG
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5ZXK
 | | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1 | | Authors: | Yang, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
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8H08
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8H07
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3DNB
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8RJX
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3DA9
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8SDH
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8RQN
 | | Human thyroid hormone receptor beta ligand binding domain in complex with beta-selective agonist ALG-055009 | | Descriptor: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione, Thyroid hormone receptor beta | | Authors: | Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C. | | Deposit date: | 2024-01-18 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.
J.Med.Chem., 67, 2024
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8RQO
 | | Human thyroid hormone receptor alpha ligand binding domain in complex with beta-selective agonist ALG-055009 | | Descriptor: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione, Isoform Alpha-1 of Thyroid hormone receptor alpha, SULFATE ION | | Authors: | Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C. | | Deposit date: | 2024-01-18 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.
J.Med.Chem., 67, 2024
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7TEH
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2022-01-05 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
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7TDU
 | | Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2022-01-03 | | Release date: | 2022-03-02 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
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7MBO
 | | FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian | | Authors: | Sheriff, S. | | Deposit date: | 2021-04-01 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.924 Å) | | Cite: | Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
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5Z14
 | | Crystal structure of human TLR8 in complex with CU-CPT9a | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(7-methoxyquinolin-4-yl)-2-methyl-phenol, ... | | Authors: | Tanji, H, Ohto, U, Shimizu, T. | | Deposit date: | 2017-12-25 | | Release date: | 2018-07-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State
To Be Published
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6A9F
 | | Crystal structure of a cyclase from Fischerella sp. TAU in complex with 4-(1H-Indol-3-yl)butan-2-one | | Descriptor: | 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, GLYCEROL, ... | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-07-13 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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6A99
 | | Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole | | Descriptor: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-07-12 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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6ADU
 | | Crystal structure of an enzyme in complex with ligand C | | Descriptor: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Tan, X.K, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-08-02 | | Release date: | 2019-08-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement.
Angew.Chem.Int.Ed.Engl., 57, 2018
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4KHP
 | | Structure of the Thermus thermophilus 30S ribosomal subunit in complex with de-6-MSA-pactamycin | | Descriptor: | 16S Ribosomal RNA, 30S Ribosomal protein S10, 30S Ribosomal protein S11, ... | | Authors: | Tourigny, D.S, Fernandez, I.S, Kelley, A.C, Ramakrishnan, V. | | Deposit date: | 2013-05-01 | | Release date: | 2013-06-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal Structure of a Bioactive Pactamycin Analog Bound to the 30S Ribosomal Subunit.
J.Mol.Biol., 425, 2013
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8IHM
 | | Eaf3 CHD domain bound to the nucleosome | | Descriptor: | Chromatin modification-related protein EAF3, DNA (164-MER), DNA (165-MER), ... | | Authors: | Zhang, Y, Gang, C. | | Deposit date: | 2023-02-23 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme.
Cell Res., 33, 2023
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8IHN
 | | Cryo-EM structure of the Rpd3S core complex | | Descriptor: | CALCIUM ION, Chromatin modification-related protein EAF3, Histone H3, ... | | Authors: | Zhang, Y, Gang, C. | | Deposit date: | 2023-02-23 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme.
Cell Res., 33, 2023
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8IHT
 | | Rpd3S bound to the nucleosome | | Descriptor: | CALCIUM ION, Chromatin modification-related protein EAF3, DNA (164-MER), ... | | Authors: | Zhang, Y, Gang, C. | | Deposit date: | 2023-02-23 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme.
Cell Res., 33, 2023
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8JMV
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8JMW
 | | Fibril form of serine peptidase Vpr | | Descriptor: | S8 family serine peptidase | | Authors: | Cao, Q, Cheng, Y. | | Deposit date: | 2023-06-05 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Serine peptidase Vpr forms enzymatically active fibrils outside Bacillus bacteria revealed by cryo-EM.
Nat Commun, 14, 2023
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5XDM
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