7CNG
 
 | | Structure of CDK5R1 bound FEM1B | | Descriptor: | Protein fem-1 homolog B,Peptide from Cyclin-dependent kinase 5 activator 1, SULFATE ION | | Authors: | Chen, X, Liao, S, Xu, C. | | Deposit date: | 2020-07-31 | | Release date: | 2020-10-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase.
Nat.Chem.Biol., 17, 2021
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6J7B
 | | Crystal structure of VASH1-SVBP in complex with epoY | | Descriptor: | N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-tyrosine, Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1 | | Authors: | Wang, N, Bao, H, Huang, H, Wu, B. | | Deposit date: | 2019-01-17 | | Release date: | 2019-06-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.618 Å) | | Cite: | Molecular basis of vasohibins-mediated detyrosination and its impact on spindle function and mitosis.
Cell Res., 29, 2019
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4LG8
 | | Crystal structure of PRPF19 WD40 repeats | | Descriptor: | Pre-mRNA-processing factor 19, SODIUM ION, UNKNOWN ATOM OR ION | | Authors: | Xu, C, Tempel, W, He, H, Dobrovetsky, E, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-06-27 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of the WD40 domain of human PRPF19.
Biochem. Biophys. Res. Commun., 493, 2017
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4P8O
 | | S. aureus gyrase bound to an aminobenzimidazole urea inhibitor | | Descriptor: | 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea, DNA gyrase subunit B | | Authors: | Jacobs, M.D. | | Deposit date: | 2014-03-31 | | Release date: | 2014-10-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability.
J.Med.Chem., 57, 2014
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6LBJ
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6LBK
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5GOE
 | | Truncated mitofusin-1, GDP-bound | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Mitofusin-1 | | Authors: | Cao, Y.L, Gao, S. | | Deposit date: | 2016-07-26 | | Release date: | 2017-01-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Nature, 542, 2017
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8V13
 | | Crystal structure of Black mamba toxin in complex with Centi-SNX-B03 antibody | | Descriptor: | Centi-SNX-B03 Fab heavy chain, Centi-SNX-B03 Fab light chain, SODIUM ION, ... | | Authors: | Pletnev, S, Glanville, J, Kwong, P.D. | | Deposit date: | 2023-11-19 | | Release date: | 2025-01-29 | | Last modified: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Snake venom protection by a cocktail of varespladib and broadly neutralizing human antibodies.
Cell, 188, 2025
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4YTF
 | | Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases | | Descriptor: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide, Tyrosine-protein kinase JAK2 | | Authors: | Farmer, L, Ledeboer, M.W, Zuccola, H.J. | | Deposit date: | 2015-03-17 | | Release date: | 2015-08-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
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4YTI
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4YTC
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4YTH
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8T6B
 | | Human VMAT2 in complex with serotonin | | Descriptor: | SEROTONIN, Synaptic vesicular amine transporter | | Authors: | Pidathala, S, Dai, Y, Lee, C.H. | | Deposit date: | 2023-06-15 | | Release date: | 2023-11-01 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
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8T69
 | | Human VMAT2 in complex with tetrabenazine | | Descriptor: | Synaptic vesicular amine transporter, tetrabenazine | | Authors: | Pidathala, S, Dai, Y, Lee, C.H. | | Deposit date: | 2023-06-15 | | Release date: | 2023-11-01 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
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8T6A
 | | Human VMAT2 in complex with reserpine | | Descriptor: | Synaptic vesicular amine transporter, reserpine | | Authors: | Pidathala, S, Dai, Y, Lee, C.H. | | Deposit date: | 2023-06-15 | | Release date: | 2023-11-01 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
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8HGO
 | | The EGF-bound EGFR/HER2 ectodomain complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor, ... | | Authors: | Zhang, Z, Bai, X. | | Deposit date: | 2022-11-15 | | Release date: | 2023-02-08 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Structure and dynamics of the EGFR/HER2 heterodimer.
Cell Discov, 9, 2023
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8HGP
 | | The EREG-bound EGFR/HER2 ectodomain complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ... | | Authors: | Zhang, Z, Bai, X. | | Deposit date: | 2022-11-15 | | Release date: | 2023-02-08 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (4.53 Å) | | Cite: | Structure and dynamics of the EGFR/HER2 heterodimer.
Cell Discov, 9, 2023
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8HGS
 | | The EGF-bound EGFR ectodomain homodimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, Pro-epidermal growth factor, ... | | Authors: | Zhang, Z, Bai, X. | | Deposit date: | 2022-11-15 | | Release date: | 2023-02-15 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.81 Å) | | Cite: | Structure and dynamics of the EGFR/HER2 heterodimer.
Cell Discov, 9, 2023
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5GO4
 | | Truncated mitofusin-1, nucleotide-free | | Descriptor: | Mitofusin-1 | | Authors: | Cao, Y.L, Gao, S. | | Deposit date: | 2016-07-26 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Nature, 542, 2017
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5GOF
 | | Truncated mitofusin-1, GTP-bound | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitofusin-1, ... | | Authors: | Cao, Y.L, Gao, S. | | Deposit date: | 2016-07-26 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.604 Å) | | Cite: | MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Nature, 542, 2017
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5GOM
 | | Truncated mitofusin-1, transition-like state | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GUANOSINE-5'-DIPHOSPHATE, Mitofusin-1 | | Authors: | Cao, Y.L, Gao, S. | | Deposit date: | 2016-07-27 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Nature, 542, 2017
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3LN1
 | | Structure of celecoxib bound at the COX-2 active site | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ... | | Authors: | Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L. | | Deposit date: | 2010-02-01 | | Release date: | 2010-10-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
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3LN0
 | | Structure of compound 5c-S bound at the active site of COX-2 | | Descriptor: | (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L. | | Deposit date: | 2010-02-01 | | Release date: | 2010-10-27 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
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3MQE
 | | Structure of SC-75416 bound at the COX-2 active site | | Descriptor: | (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, J.L, Limburg, D, Graneto, M.J, Springer, J, Rogier, J, Kiefer, J.R. | | Deposit date: | 2010-04-28 | | Release date: | 2010-10-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
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3NTG
 | | Crystal structure of COX-2 with selective compound 23d-(R) | | Descriptor: | (2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, J.L, Limburg, D, Graneto, M.J, Carter, J.C, Talley, J.J, Kiefer, J.R. | | Deposit date: | 2010-07-04 | | Release date: | 2010-10-27 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
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