8YLB
 
 | | Cocrystal structures of agonists compound 1 with HsClpP | | Descriptor: | 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Zhao, N, Zhu, Y, Bao, R. | | Deposit date: | 2024-03-06 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Rational Design of a Novel Class of Human ClpP Agonists through a Ring-Opening Strategy with Enhanced Antileukemia Activity.
J.Med.Chem., 67, 2024
|
|
8ZF1
 | | Crystal structure of a Chemo Triplet Photoenzyme (CTPe) | | Descriptor: | N-(9-oxidanylidenethioxanthen-2-yl)ethanamide, Transcriptional regulator, PadR-like family | | Authors: | Chen, X, Qian, J.Y, Guo, J, Wu, Y.Z, Zhong, F.R. | | Deposit date: | 2024-05-07 | | Release date: | 2024-07-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Chemogenetic Evolution of Diversified Photoenzymes for Enantioselective [2 + 2] Cycloadditions in Whole Cells.
J.Am.Chem.Soc., 146, 2024
|
|
6ISO
 | | Human SIRT3 Recognizing H3K4cr | | Descriptor: | (2E)-BUT-2-ENAL, ARG-THR-LYS-GLN-THR-ALA-ARG, GLYCEROL, ... | | Authors: | Wang, Y, Hao, Q. | | Deposit date: | 2018-11-17 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Identification of 'erasers' for lysine crotonylated histone marks using a chemical proteomics approach.
Elife, 3, 2014
|
|
3SRU
 | | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | | Descriptor: | Dihydrofolate reductase, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Hilgers, M. | | Deposit date: | 2011-07-07 | | Release date: | 2011-08-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
3U9Q
 | |
8WI0
 | | wt-hMRP5 inward-open | | Descriptor: | ATP-binding cassette sub-family C member 5 | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
|
|
8WI5
 | | M5PI-bound hMRP5 | | Descriptor: | ATP-binding cassette sub-family C member 5 | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
|
|
8WI3
 | | ND-hMRP5-inward open | | Descriptor: | ATP-binding cassette sub-family C member 5 | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
|
|
8WI2
 | | RD-hMRP5-inward open | | Descriptor: | ATP-binding cassette sub-family C member 5, CYS-GLN-ASP-ALA-LEU-GLU-THR-ALA-ALA-ARG-ALA-GLU-GLY-LEU-SER-LEU-ASP-ALA-SER | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.06 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
|
|
8WI4
 | | m6-hMRP5 inward open | | Descriptor: | ATP-binding cassette sub-family C member 5 | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
|
|
7DRT
 | | Human Wntless in complex with Wnt3a | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhong, Q, Zhao, Y, Ye, F, Xiao, Z, Huang, G, Zhang, Y, Lu, P, Xu, W, Zhou, Q, Ma, D. | | Deposit date: | 2020-12-29 | | Release date: | 2021-07-14 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Cryo-EM structure of human Wntless in complex with Wnt3a.
Nat Commun, 12, 2021
|
|
7D54
 | | Crstal structure MsGATase with Gln | | Descriptor: | GLUTAMINE, Glutamine amidotransferase class-I | | Authors: | Chen, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
7D4R
 | | SpuA native structure | | Descriptor: | MAGNESIUM ION, Probable glutamine amidotransferase | | Authors: | Chen, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
7D50
 | | SpuA mutant - H221N with glutamyl-thioester | | Descriptor: | MAGNESIUM ION, Probable glutamine amidotransferase | | Authors: | Chen, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
7D53
 | | SpuA mutant - H221N with Glu | | Descriptor: | GLUTAMIC ACID, MAGNESIUM ION, Probable glutamine amidotransferase | | Authors: | Chen, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
7Y3G
 | | Cryo-EM structure of a class A orphan GPCR | | Descriptor: | G-protein coupled receptor 12, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liu, Z.J, Hua, T, Li, H, Zhang, J.Y, Luo, F. | | Deposit date: | 2022-06-10 | | Release date: | 2023-06-07 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Structural insight into the constitutive activity of human orphan receptor GPR12.
Sci Bull (Beijing), 68, 2023
|
|
8JWN
 | | Crystal structure of AKRtyl-NADPH complex | | Descriptor: | Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Lin, S, Dai, S, Xiao, Z. | | Deposit date: | 2023-06-29 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
|
|
8JWO
 | |
8JWL
 | |
8JWK
 | | The second purified state crystal structure of AKRtyl | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Lin, S, Dai, S, Xiao, Z. | | Deposit date: | 2023-06-29 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
|
|
8JWM
 | | Crystal structure of AKRtyl-NADP-tylosin complex | | Descriptor: | Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TYLOSIN | | Authors: | Lin, S, Dai, S, Xiao, Z. | | Deposit date: | 2023-06-29 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
|
|
8F4O
 | | Apo structure of the TPP riboswitch aptamer domain | | Descriptor: | IRIDIUM HEXAMMINE ION, TETRAETHYLENE GLYCOL, TPP riboswitch aptamer domain, ... | | Authors: | Lee, H.-K, Wang, Y.-X, Stagno, J.R. | | Deposit date: | 2022-11-11 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of Escherichia coli thiamine pyrophosphate-sensing riboswitch in the apo state.
Structure, 31, 2023
|
|
7X38
 | | Cryo-EM structure of Coxsackievirus B1 empty particle in complex with nAb 8A10 (CVB1-E:8A10) | | Descriptor: | 8A10 heavy chain, 8A10 light chain, VP2, ... | | Authors: | Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N. | | Deposit date: | 2022-02-28 | | Release date: | 2022-09-28 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
|
|
7X3F
 | | Cryo-EM structure of Coxsackievirus B1 A-particle in complex with nAb 9A3 (CVB1-A:9A3) | | Descriptor: | 9A3 heavy chain, 9A3 light chain, VP2, ... | | Authors: | Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N. | | Deposit date: | 2022-02-28 | | Release date: | 2022-09-28 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
|
|
7X42
 | | Cryo-EM structure of Coxsackievirus B1 pre-A-particle in complex with nAb 8A10 (classified from CVB1 mature virion in complex with 8A10 and 2E6) | | Descriptor: | 8A10 heavy chain, 8A10 light chain, Capsid protein VP0, ... | | Authors: | Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N. | | Deposit date: | 2022-03-01 | | Release date: | 2022-09-28 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.88 Å) | | Cite: | Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
|
|
