7DXI
 
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7D77
 | | Cryo-EM structure of the cortisol-bound adhesion receptor GPR97-Go complex | | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, Adhesion G protein-coupled receptor G3; GPR97, CHOLESTEROL, ... | | Authors: | Ping, Y, Mao, C, Xiao, P, Zhao, R, Jiang, Y, Yang, Z, An, W, Shen, D, Yang, F, Zhang, H, Qu, C, Shen, Q, Tian, C, Li, Z, Li, S, Wang, G, Tao, X, Wen, X, Zhong, Y, Yang, J, Yi, F, Yu, X, Xu, E, Zhang, Y, Sun, J. | | Deposit date: | 2020-10-03 | | Release date: | 2021-02-03 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structures of the glucocorticoid-bound adhesion receptor GPR97-G o complex.
Nature, 589, 2021
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7F3O
 | | Crystal structure of the GluA2o LBD in complex with glutamate and TAK-653 | | Descriptor: | 7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide, ACETATE ION, GLUTAMIC ACID, ... | | Authors: | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | Deposit date: | 2021-06-16 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Strictly regulated agonist-dependent activation of AMPA-R is the key characteristic of TAK-653 for robust synaptic responses and cognitive improvement.
Sci Rep, 11, 2021
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7D76
 | | Cryo-EM structure of the beclomethasone-bound adhesion receptor GPR97-Go complex | | Descriptor: | (8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, Adhesion G protein-coupled receptor G3; GPR97, CHOLESTEROL, ... | | Authors: | Ping, Y, Mao, C, Xiao, P, Zhao, R, Jiang, Y, Yang, Z, An, W, Shen, D, Yang, F, Zhang, H, Qu, C, Shen, Q, Tian, C, Li, Z, Li, S, Wang, G, Tao, X, Wen, X, Zhong, Y, Yang, J, Yi, F, Yu, X, Xu, E, Zhang, Y, Sun, J. | | Deposit date: | 2020-10-03 | | Release date: | 2021-02-03 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of the glucocorticoid-bound adhesion receptor GPR97-G o complex.
Nature, 589, 2021
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7CAJ
 | | Crystal structure of SETDB1 Tudor domain in complexed with Compound 2. | | Descriptor: | 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1 | | Authors: | Guo, Y.P, Liang, X, Xin, M, Luyi, H, Chengyong, W, Yang, S.Y. | | Deposit date: | 2020-06-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7DRP
 | | Structure of ATP-grasp ligase PsnB complexed with phosphomimetic variant of minimal precursor, Mg, and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, MAGNESIUM ION, ... | | Authors: | Song, I, Yu, J, Song, W, Kim, S. | | Deposit date: | 2020-12-29 | | Release date: | 2021-09-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB.
Nat.Chem.Biol., 17, 2021
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7DRO
 | | Structure of ATP-grasp ligase PsnB complexed with minimal precursor | | Descriptor: | ATP-grasp domain-containing protein, PsnA214-38, Precursor peptide | | Authors: | Song, I, Yu, J, Song, W, Kim, S. | | Deposit date: | 2020-12-29 | | Release date: | 2021-09-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB.
Nat.Chem.Biol., 17, 2021
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7DRN
 | | Structure of ATP-grasp ligase PsnB complexed with precursor peptide PsnA2 and AMPPNP | | Descriptor: | ATP-grasp domain-containing protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PsnA214-38, ... | | Authors: | Song, I, Yu, J, Song, W, Kim, S. | | Deposit date: | 2020-12-29 | | Release date: | 2021-09-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.56 Å) | | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB.
Nat.Chem.Biol., 17, 2021
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7DRM
 | | Structure of ATP-grasp ligase PsnB complexed with minimal precursor, Mg, and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, MAGNESIUM ION, ... | | Authors: | Song, I, Yu, J, Song, W, Kim, S. | | Deposit date: | 2020-12-29 | | Release date: | 2021-09-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB.
Nat.Chem.Biol., 17, 2021
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7D4I
 | | Cryo-EM structure of 90S small ribosomal precursors complex with the DEAH-box RNA helicase Dhr1 (State F) | | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ... | | Authors: | Du, Y, Zhang, J, An, W, Ye, K. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structure of 90S small ribosomal precursors complex with Dhr1
To Be Published
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7D63
 | | Cryo-EM structure of 90S preribosome with inactive Utp24 (state C) | | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ... | | Authors: | Du, Y, Zhang, J, An, W, Ye, K. | | Deposit date: | 2020-09-29 | | Release date: | 2021-10-06 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (12.3 Å) | | Cite: | Cryo-EM structure of 90S preribosome with inactive Utp24 (state C)
To Be Published
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7D5S
 | | Cryo-EM structure of 90S preribosome with inactive Utp24 (state A2) | | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S12, ... | | Authors: | Du, Y, Zhang, J, An, W, Ye, K. | | Deposit date: | 2020-09-28 | | Release date: | 2021-10-06 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Cryo-EM structure of 90S preribosome with inactive Utp24 (state A2)
To Be Published
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7F5D
 | | Crystal structure of BPTF-BRD with ligand DC-BPi-03 bound | | Descriptor: | 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | | Deposit date: | 2021-06-21 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.57150865 Å) | | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
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7F5C
 | | Crystal structure of BPTF-BRD with ligand DC-BPi-07 bound | | Descriptor: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | | Deposit date: | 2021-06-21 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65004492 Å) | | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
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7F5E
 | | Crystal structure of BPTF-BRD with ligand DC-BPi-11 bound | | Descriptor: | N,N-dimethyl-3-[5-(2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine, Nucleosome-remodeling factor subunit BPTF | | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | | Deposit date: | 2021-06-21 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.20017123 Å) | | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
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7FXV
 | | Crystal Structure of human FABP4 in complex with 6-[(4-methoxyphenyl)methyl]-2H-1,2,4-triazine-3,5-dithione | | Descriptor: | 1,2-ETHANEDIOL, 6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione, DIMETHYL SULFOXIDE, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Koch, W, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.88 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7G16
 | | Crystal Structure of human FABP4 in complex with 6-bromo-3-hexyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid | | Descriptor: | (3S,4R)-6-bromo-3-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid, BROMIDE ION, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Hofheinz, W, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FZ5
 | | Crystal Structure of human FABP4 in complex with rac-(2R)-1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid | | Descriptor: | 1-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-D-proline, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Neidhart, W, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7G02
 | | Crystal Structure of human FABP4 in complex with 7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid | | Descriptor: | (1M)-7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid, 1,2-ETHANEDIOL, FORMIC ACID, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Guthrie-Robert, W, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FXA
 | | Crystal Structure of human FABP4 in complex with 6-bromo-4-hexyl-2-oxo-1,3-dihydroquinoline-4-carboxylic acid | | Descriptor: | (4S)-6-bromo-4-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Hofheinz, W, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7G1N
 | | Crystal Structure of human FABP4 in complex with rac-(1R,2R)-2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid | | Descriptor: | (1R,2R)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Neidhart, W, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7G00
 | | Crystal Structure of human FABP1 in complex with 2-[[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid | | Descriptor: | 2-{[(3P)-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, Fatty acid-binding protein, liver, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Neidhart, W, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of a human FABP1 complex
To be published
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7FYG
 | | Crystal Structure of human FABP4 in complex with 6-benzyl-2H-1,2,4-triazine-3,5-dithione | | Descriptor: | 1,2-ETHANEDIOL, 6-benzyl-1,2,4-triazine-3,5(2H,4H)-dithione, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Koch, W, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7G1M
 | | Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with rac-(1R,2R)-2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid | | Descriptor: | (1R,2S)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte | | Authors: | Ehler, A, Benz, J, Obst, U, Neidhart, W, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
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7JQ2
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI5 | | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | | Authors: | Yang, K, Liu, W. | | Deposit date: | 2020-08-10 | | Release date: | 2020-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
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