8JJ1
 
 | | Cryo-EM structure of GluN1-2A NMDAR in complex with human Fab2G7 in two fab conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 2G7 Heavy Chain, ... | | Authors: | Wang, H, Zhu, S. | | Deposit date: | 2023-05-29 | | Release date: | 2024-06-05 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Structural basis for antibody-mediated NMDA receptor clustering and endocytosis in autoimmune encephalitis.
Nat.Struct.Mol.Biol., 2024
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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: | 2024-10-16 | | 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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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: | 2024-10-16 | | 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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8YE9
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8IOW
 | | Cryo-EM structure of the sarilumab Fab/IL-6R complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Sarilumab Fab, Interleukin-6 receptor subunit alpha, ... | | Authors: | She, J, Chen, L, Wang, M.X. | | Deposit date: | 2023-03-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into IL-6 signaling inhibition by therapeutic antibodies.
Cell Rep, 43, 2024
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4WUM
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6IIC
 | | CryoEM structure of Mud Crab Dicistrovirus | | Descriptor: | VP1 of Mud crab dicistrovirus, VP2 of Mud crab dicistrovirus, VP3 of Mud crab dicistrovirus, ... | | Authors: | Zhang, Q, Gao, Y. | | Deposit date: | 2018-10-04 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-electron Microscopy Structures of Novel Viruses from Mud CrabScylla paramamosainwith Multiple Infections.
J. Virol., 93, 2019
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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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6IZL
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6J1O
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6J60
 | | hnRNP A1 reversible amyloid core GFGGNDNFG (residues 209-217) | | Descriptor: | 9-mer peptide (GFGGNDNFG) from Heterogeneous nuclear ribonucleoprotein A1 | | Authors: | Luo, F, Zhou, H, Gui, X, Li, D, Li, X, Liu, C. | | Deposit date: | 2019-01-12 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON CRYSTALLOGRAPHY (0.96 Å) | | Cite: | Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
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6J46
 | | LepI-SAH complex structure | | Descriptor: | O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Qiu, S, Wei, C. | | Deposit date: | 2019-01-08 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.621 Å) | | Cite: | Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
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6M31
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6J24
 | | Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate | | Descriptor: | (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione, O-methyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Qiu, S, Wei, C. | | Deposit date: | 2018-12-30 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.244 Å) | | Cite: | Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
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6LNZ
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6M63
 | | Crystal structure of a cAMP sensor G-Flamp1. | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Chimera of Cyclic nucleotide-gated potassium channel mll3241 and Yellow fluorescent protein | | Authors: | Zhou, Z, Chen, S, Wang, L, Chu, J. | | Deposit date: | 2020-03-12 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A high-performance genetically encoded fluorescent indicator for in vivo cAMP imaging.
Nat Commun, 13, 2022
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8Y1R
 | | in situ room temperature Laue crystallography | | Descriptor: | Lysozyme C | | Authors: | Wang, Z.J, Wang, S.S, Pan, Q.Y, Yu, L, Su, Z.H, Yang, T.Y, Wang, Y.Z, Zhang, W.Z, Hao, Q, Gao, X.Y. | | Deposit date: | 2024-01-25 | | Release date: | 2024-02-07 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Single pulse data collection with an X-ray chopper at in situ room temperature Laue crystallography beamline BL03HB
Nucl Instrum Methods Phys Res A, 1069, 2024
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2LSP
 | | solution structures of BRD4 second bromodomain with NF-kB-K310ac peptide | | Descriptor: | Bromodomain-containing protein 4, NF-kB-K310ac peptide | | Authors: | Zhang, G, Liu, R, Zhong, Y, Plotnikov, A.N, Zhang, W, Rusinova, E, Gerona-Nevarro, G, Moshkina, N, Joshua, J, Chuang, P.Y, Ohlmeyer, M, He, J, Zhou, M.-M. | | Deposit date: | 2012-05-03 | | Release date: | 2012-07-18 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Down-regulation of NF-kappa B transcriptional activity in HIV-associated kidney disease by BRD4 inhibition.
J.Biol.Chem., 287, 2012
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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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6IDE
 | | Crystal structure of the Vibrio cholera VqmA-Ligand-DNA complex provides molecular mechanisms for drug design | | Descriptor: | 3,5-dimethylpyrazin-2-ol, DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*AP*AP*TP*CP*CP*CP*CP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*TP*TP*TP*CP*CP*CP*CP*CP*CP*T)-3'), ... | | Authors: | Wu, H, Li, M.J, Guo, H.J, Zhou, H, Li, B, Xu, Q, Xu, C.Y, Yu, F, He, J.H. | | Deposit date: | 2018-09-09 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structure of theVibrio choleraeVqmA-ligand-DNA complex provides insight into ligand-binding mechanisms relevant for drug design.
J. Biol. Chem., 294, 2019
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5CZW
 | | Crystal structure of myroilysin | | Descriptor: | Myroilysin, ZINC ION | | Authors: | Zhou, J, Ran, T, Xu, D, Wang, W. | | Deposit date: | 2015-08-01 | | Release date: | 2016-08-03 | | Last modified: | 2017-04-26 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Myroilysin is a New Bacterial Member of the M12A Family of Metzincin Metallopeptidases and Activated by a Cysteine-switch Mechanism
J. Biol. Chem., 292, 2017
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6KZ5
 | | Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain | | Descriptor: | Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | | Authors: | Hong, W, Chen, H, Wu, Q, Lin, T. | | Deposit date: | 2019-09-23 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (4.45 Å) | | Cite: | Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5MEC
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