6Y7M
 
 | | Crystal structure of the complex resulting from the reaction between the SARS-CoV main protease and tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | Zhang, L, Lin, D, Hilgenfeld, R. | | Deposit date: | 2020-03-01 | | Release date: | 2020-03-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
|
|
6YNN
 | | Crystal structure of YTHDC1 with compound DHU_DC1_135 | | Descriptor: | 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
|
|
6YNO
 | | Crystal structure of YTHDC1 with compound DHU_DC1_139 | | Descriptor: | 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
|
|
9IJE
 | | Epinephrine-activated human beta3 adrenergic receptor | | Descriptor: | Beta-3 adrenergic receptor, Camelid antibody VHH fragment, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zheng, S, Zhang, S, Dai, S, Chen, K, Gao, K, Lin, B, Liu, X. | | Deposit date: | 2024-06-22 | | Release date: | 2024-08-21 | | Last modified: | 2024-12-25 | | Method: | ELECTRON MICROSCOPY (2.34 Å) | | Cite: | Molecular Mechanism of the beta 3 AR Agonist Activity of a beta-Blocker.
Chempluschem, 89, 2024
|
|
9IJD
 | | Carazolol-activated human beta3 adrenergic receptor | | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, Beta-3 adrenergic receptor, Camelid antibody VHH fragment, ... | | Authors: | Zheng, S, Zhang, S, Dai, S, Chen, K, Gao, K, Lin, B, Liu, X. | | Deposit date: | 2024-06-22 | | Release date: | 2024-08-21 | | Last modified: | 2024-12-25 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Molecular Mechanism of the beta 3 AR Agonist Activity of a beta-Blocker.
Chempluschem, 89, 2024
|
|
5YSX
 | | Structure of P domain of GII.2 Noroviruses | | Descriptor: | VP1 | | Authors: | Duan, Z, Ao, Y. | | Deposit date: | 2017-11-16 | | Release date: | 2018-08-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.202 Å) | | Cite: | Genetic Analysis of Reemerging GII.P16-GII.2 Noroviruses in 2016-2017 in China.
J. Infect. Dis., 218, 2018
|
|
9KD5
 | |
9KD4
 | |
9JWV
 | |
9J20
 | | Structure of WDR5 in complex with KIF2A | | Descriptor: | 1,2-ETHANEDIOL, Kinesin-like protein KIF2A, WD repeat-containing protein 5 | | Authors: | Xu, L, Yang, Y. | | Deposit date: | 2024-08-06 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structures of Kif2A complexed with WDR5 reveal the structural plasticity of WIN-S7 sites.
Acta Biochim.Biophys.Sin., 2025
|
|
8H6T
 | | Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor | | Descriptor: | (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Ren, X. | | Deposit date: | 2022-10-18 | | Release date: | 2023-02-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
|
|
8H6P
 | | Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | | Descriptor: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Ren, X. | | Deposit date: | 2022-10-18 | | Release date: | 2023-02-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
|
|
3LCT
 | |
7Y99
 | | Crystal Structure Analysis of cp2 bound BCLxl | | Descriptor: | Bcl-2-like protein 1, CP2 peptide, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-24 | | Release date: | 2023-09-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
|
|
7YAA
 | | Crystal structure analysis of cp3 bound BCLxl | | Descriptor: | Bcl-2-like protein 1, GLYCEROL, N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide, ... | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-27 | | Release date: | 2023-11-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
|
|
7Y90
 | | Crystal Structure Analysis of cp1 bound BCL2 | | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide | | Authors: | Li, F.W. | | Deposit date: | 2022-06-24 | | Release date: | 2023-11-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
|
|
7YA5
 | | Crystal structure analysis of cp1 bound BCL2/G101V | | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-27 | | Release date: | 2023-11-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
|
|
7YB7
 | | anti-apoptotic protein BCL-2-M12 | | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide, cp2 peptide | | Authors: | Li, F.W, Liu, C, Wu, D.L. | | Deposit date: | 2022-06-29 | | Release date: | 2023-11-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
|
|
3LAF
 | | Structure of DCC, a netrin-1 receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Deleted in Colorectal Cancer, SULFATE ION, ... | | Authors: | Chen, Q, Liu, J.-H, Wang, J.-H. | | Deposit date: | 2010-01-06 | | Release date: | 2011-03-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | N-terminal horseshoe conformation of DCC is functionally required for axon guidance and might be shared by other neural receptors.
J.Cell.Sci., 126, 2013
|
|
3LCS
 | |
8H1L
 | | Crystal structure of glucose-2-epimerase in complex with D-Glucitol from Runella slithyformis Runsl_4512 | | Descriptor: | N-acylglucosamine 2-epimerase, sorbitol | | Authors: | Wang, H, Sun, X.M, Saburi, W, Yu, J, Yao, M. | | Deposit date: | 2022-10-03 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural insights into the substrate specificity and activity of a novel mannose 2-epimerase from Runella slithyformis.
Acta Crystallogr D Struct Biol, 79, 2023
|
|
8H1K
 | | Crystal structure of glucose-2-epimerase from Runella slithyformis Runsl_4512 | | Descriptor: | FORMIC ACID, GLYCEROL, N-acylglucosamine 2-epimerase | | Authors: | Wang, H, Sun, X.M, Saburi, W, Yu, J, Yao, M. | | Deposit date: | 2022-10-03 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural insights into the substrate specificity and activity of a novel mannose 2-epimerase from Runella slithyformis.
Acta Crystallogr D Struct Biol, 79, 2023
|
|
7Y8D
 | | Crystal structure of cp1 bound BCLxl | | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Bcl-2-like protein 1, cp1 peptide | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-23 | | Release date: | 2023-11-15 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
|
|
8H1M
 | | Crystal structure of glucose-2-epimerase mutant_D254A from Runella slithyformis Runsl_4512 | | Descriptor: | FORMIC ACID, N-acylglucosamine 2-epimerase | | Authors: | Wang, H, Sun, X.M, Saburi, W, Yu, J, Yao, M. | | Deposit date: | 2022-10-03 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural insights into the substrate specificity and activity of a novel mannose 2-epimerase from Runella slithyformis.
Acta Crystallogr D Struct Biol, 79, 2023
|
|
8H1N
 | | Crystal structure of glucose-2-epimerase mutant_D254A in complex with D-Glucitol from Runella slithyformis Runsl_4512 | | Descriptor: | FORMIC ACID, N-acylglucosamine 2-epimerase, sorbitol | | Authors: | Wang, H, Sun, X.M, Saburi, W, Yu, J, Yao, M. | | Deposit date: | 2022-10-03 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Structural insights into the substrate specificity and activity of a novel mannose 2-epimerase from Runella slithyformis.
Acta Crystallogr D Struct Biol, 79, 2023
|
|
