8IVH
 
 | | crystal structure of SulE mutant | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2023-03-27 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | crystal structure of SulE mutant
To Be Published
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7Y0L
 | | SulE-S209A | | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, METHYL 2-[({[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE | | Authors: | Liu, B, Ran, T, He, J, Wang, W. | | Deposit date: | 2022-06-05 | | Release date: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
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7YD2
 | | SulE_P44R_S209A | | Descriptor: | 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, Alpha/beta fold hydrolase, ... | | Authors: | Liu, B, Ran, T, Wang, W, He, J. | | Deposit date: | 2022-07-03 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
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5Y51
 | | Crystal structure of PytH_H230A | | Descriptor: | Pyrethroid hydrolase, SULFATE ION | | Authors: | Xu, D.Q, Ran, T.T, He, J, Wang, W.W. | | Deposit date: | 2017-08-06 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and Catalytic Mechanism of a Novel Pyrethroid Hydrolase from Sphingobium faniae JZ-2
To Be Published
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5Y57
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5Y5V
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7XA9
 | | Structure of Arabidopsis thaliana CLCa | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chloride channel protein CLC-a, MAGNESIUM ION, ... | | Authors: | Ji, S, Jin, H, Kaiming, Z, Mingxing, W, Shanshan, L, Long, C. | | Deposit date: | 2022-03-17 | | Release date: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Cryo-EM structure of the plant nitrate transporter AtCLCa reveals characteristics of the anion-binding site and the ATP-binding pocket.
J.Biol.Chem., 299, 2023
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4WUM
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8X43
 | | human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2 | | Descriptor: | Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Ma, D, Guo, J. | | Deposit date: | 2023-11-15 | | Release date: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 2024
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8WR2
 | | Crystal Structure of Human Pyridoxal Kinase with bound Luteolin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Fan, J, Zhu, Y. | | Deposit date: | 2023-10-12 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery and characterization of natural product luteolin as an effective inhibitor of human pyridoxal kinase.
Bioorg.Chem., 143, 2024
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2FJP
 | | Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM, ... | | Authors: | Scapin, G, Patel, S.B, Becker, J.W. | | Deposit date: | 2006-01-03 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | (2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]- pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
J.Med.Chem., 49, 2006
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4PNZ
 | | Human dipeptidyl peptidase IV/CD26 in complex with the long-acting inhibitor Omarigliptin (MK-3102) | | Descriptor: | (2R,3S,5R)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Scapin, G, Yan, Y. | | Deposit date: | 2014-02-22 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Omarigliptin (MK-3102): A Novel Long-Acting DPP-4 Inhibitor for Once-Weekly Treatment of Type 2 Diabetes.
J.Med.Chem., 57, 2014
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5GZR
 | | Zika virus E protein complexed with a neutralizing antibody Z23-Fab | | Descriptor: | Z23 Fab heavy chain, Z23 Fab light chain, structural protein E, ... | | Authors: | Gao, G.G, Shi, Y, Peng, R, Liu, S. | | Deposit date: | 2016-10-01 | | Release date: | 2016-11-30 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (9.4 Å) | | Cite: | Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
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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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2A5Y
 | | Structure of a CED-4/CED-9 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Apoptosis regulator ced-9, MAGNESIUM ION, ... | | Authors: | Yan, N, Liu, Q, Hao, Q, Gu, L, Shi, Y. | | Deposit date: | 2005-07-01 | | Release date: | 2005-10-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the CED-4-CED-9 complex provides insights into programmed cell death in Caenorhabditis elegans.
Nature, 437, 2005
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1AKI
 | | THE STRUCTURE OF THE ORTHORHOMBIC FORM OF HEN EGG-WHITE LYSOZYME AT 1.5 ANGSTROMS RESOLUTION | | Descriptor: | LYSOZYME | | Authors: | Carter, D, He, J, Ruble, J.R, Wright, B. | | Deposit date: | 1997-05-19 | | Release date: | 1997-11-19 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Structures of the Monoclinic and Orthorhombic Forms of Hen Egg-White Lysozyme at 6 Angstroms Resolution
Acta Crystallogr.,Sect.B, 38, 1982
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5Y14
 | | Crystal structure of LP-40/N44 | | Descriptor: | LP-40, N44 | | Authors: | Zhang, X, Wang, X, He, Y. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.762 Å) | | Cite: | Enfuvirtide (T20)-Based Lipopeptide Is a Potent HIV-1 Cell Fusion Inhibitor: Implications for Viral Entry and Inhibition
J. Virol., 91, 2017
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5YC0
 | | Crystal structure of LP-46/N44 | | Descriptor: | Envelope glycoprotein, LP-46 | | Authors: | Zhang, X, Wang, X, He, Y. | | Deposit date: | 2017-09-05 | | Release date: | 2018-02-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Exceptional potency and structural basis of a T1249-derived lipopeptide fusion inhibitor against HIV-1, HIV-2, and simian immunodeficiency virus
J. Biol. Chem., 293, 2018
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7W0F
 | | dmDicer2-LoqsPD-dsRNA Post-dicing status | | Descriptor: | Dicer-2, isoform A, Loquacious, ... | | Authors: | Su, S, Wang, J, Wang, H.W, Ma, J. | | Deposit date: | 2021-11-18 | | Release date: | 2022-04-27 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (4.55 Å) | | Cite: | Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022
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7W0E
 | | dmDicer2-LoqsPD-dsRNA Active-dicing status | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dicer-2, isoform A, ... | | Authors: | Su, S, Wang, J, Wang, H.W, Ma, J. | | Deposit date: | 2021-11-18 | | Release date: | 2022-04-27 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (4.03 Å) | | Cite: | Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022
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7W0C
 | | Dicer2-Loqs-PD-dsRNA complex at early-translocation state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dicer-2, isoform A, ... | | Authors: | Su, S, Wang, J, Wang, H.W, Ma, J. | | Deposit date: | 2021-11-18 | | Release date: | 2022-04-27 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (3.93 Å) | | Cite: | Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022
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7W0B
 | | Dicer2-LoqsPD complex at apo status | | Descriptor: | Dicer-2, isoform A, Loquacious, ... | | Authors: | Su, S, Wang, J, Wang, H.W, Ma, J. | | Deposit date: | 2021-11-18 | | Release date: | 2022-04-27 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022
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7W0D
 | | Dicer2-LoqsPD-dsRNA complex at mid-translocation state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dicer-2, isoform A, ... | | Authors: | Su, S, Wang, J, Wang, H.W, Ma, J. | | Deposit date: | 2021-11-18 | | Release date: | 2022-04-27 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (4.18 Å) | | Cite: | Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022
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7W0A
 | | dmDicer2-LoqsPD-dsRNA Dimer status | | Descriptor: | Dicer-2, isoform A, Loquacious, ... | | Authors: | Su, S, Wang, J, Wang, H.W, Ma, J. | | Deposit date: | 2021-11-18 | | Release date: | 2022-04-27 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022
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5GWD
 | | Structure of Myroilysin | | Descriptor: | Myroilysin, ZINC ION | | Authors: | Xu, D, Ran, T, Wang, W. | | Deposit date: | 2016-09-10 | | Release date: | 2017-02-15 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Myroilysin Is a New Bacterial Member of the M12A Family of Metzincin Metallopeptidases and Is Activated by a Cysteine Switch Mechanism.
J. Biol. Chem., 292, 2017
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