4ZRJ
 
 | | Structure of Merlin-FERM and CTD | | Descriptor: | GLYCEROL, Merlin | | Authors: | Lin, Z, Li, F, Long, J, Shen, Y. | | Deposit date: | 2015-05-12 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Angiomotin binding-induced activation of Merlin/NF2 in the Hippo pathway
Cell Res., 25, 2015
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3JUA
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5DQE
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5DQ8
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5GN0
 | | Structure of TAZ-TEAD complex | | Descriptor: | CITRIC ACID, PALMITIC ACID, Transcriptional enhancer factor TEF-3, ... | | Authors: | Kaan, H.Y.K, Song, H. | | Deposit date: | 2016-07-18 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of TAZ-TEAD complex reveals a distinct interaction mode from that of YAP-TEAD complex
Sci Rep, 7, 2017
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2OGD
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | | Deposit date: | 2007-01-05 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Bisphosphonates: Teaching Old Drugs with New Tricks
TO BE PUBLISHED
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2OPN
 | | Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527 | | Descriptor: | Farnesyl pyrophosphate synthetase (FPP synthetase) (FPS) (Farnesyl diphosphate synthetase) [Includes: Dimethylallyltranstransferase (EC 2.5.1.1); Geranyltranstransferase (EC 2.5.1.10)], MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Cao, R, Gao, Y.G, Robinson, H, Goddard, A, Oldfield, E. | | Deposit date: | 2007-01-29 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Bisphosphonates: Teaching Old Drugs with New Tricks
To be Published
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8H7N
 | | Structure of nanobody 11A in complex with triazophos | | Descriptor: | 1,2-ETHANEDIOL, Nanobody 11A, SODIUM ION, ... | | Authors: | Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M. | | Deposit date: | 2022-10-20 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure of nanobody 11A in complex with triazophos
To Be Published
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8H7M
 | | Structure of nanobody 11A in complex with parathion | | Descriptor: | Nanobody 11A, parathion | | Authors: | Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M. | | Deposit date: | 2022-10-20 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure of nanobody 11A in complex with parathion
To Be Published
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8H7I
 | | Structure of nanobody 11A in complex with quinalphos | | Descriptor: | Nanobody 11A, quinalphos | | Authors: | Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M. | | Deposit date: | 2022-10-20 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of nanobody 11A in complex with quinalphos
To Be Published
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8H7R
 | | Structure of nanobody 11A in complex with coumaphos | | Descriptor: | Nanobody 11A, coumaphos | | Authors: | Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M. | | Deposit date: | 2022-10-20 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of nanobody 11A in complex with coumaphos
To Be Published
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6HAW
 | | Crystal structure of bovine cytochrome bc1 in complex with 2-pyrazolyl quinolone inhibitor WDH2G7 | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ... | | Authors: | Amporndanai, K, Hong, W.D, O'Neill, P.M, Hasnain, S.S, Antonyuk, S.V. | | Deposit date: | 2018-08-08 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Potent Antimalarial 2-Pyrazolyl Quinolonebc1(Qi) Inhibitors with Improved Drug-like Properties.
ACS Med Chem Lett, 9, 2018
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5Y16
 | | Crystal structure of human DUSP28(Y102H) | | Descriptor: | CHLORIDE ION, Dual specificity phosphatase 28, PHOSPHATE ION | | Authors: | Ku, B, Kim, M, Kim, S.J, Ryu, S.E. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | Structural and biochemical analysis of atypically low dephosphorylating activity of human dual-specificity phosphatase 28
PLoS ONE, 12, 2017
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5Z2Q
 | | Vgll1-TEAD4 core complex | | Descriptor: | PHOSPHATE ION, Transcription cofactor vestigial-like protein 1, Transcriptional enhancer factor TEF-3 | | Authors: | Pobbati, A.V, Song, H. | | Deposit date: | 2018-01-03 | | Release date: | 2018-01-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structural and functional similarity between the Vgll1-TEAD and the YAP-TEAD complexes.
Structure, 20, 2012
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5XJD
 | | TEAD in complex with fragment | | Descriptor: | (2S)-2-phenyl-2-pyrrol-1-yl-ethanoic acid, Transcriptional enhancer factor TEF-3 | | Authors: | Kaan, H.Y.K, Sim, A.Y.L, Tan, S.K.J, Verma, C, Song, H. | | Deposit date: | 2017-05-01 | | Release date: | 2018-01-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Targeting YAP/TAZ-TEAD protein-protein interactions using fragment-based and computational modeling approaches.
PLoS ONE, 12, 2017
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7V7M
 | | crystal structure of SARS-CoV-2 3CL protease | | Descriptor: | 3C-like proteinase | | Authors: | Yi, Y, Zhang, M, Ye, M. | | Deposit date: | 2021-08-21 | | Release date: | 2022-06-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19.
Acta Pharm Sin B, 12, 2022
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7YAC
 | | Paltusotine-bound SSTR2-Gi complex | | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Zhao, J, Shao, Z. | | Deposit date: | 2022-06-27 | | Release date: | 2023-04-19 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine.
Nat Commun, 14, 2023
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7YAE
 | | Octreotide-bound SSTR2-Gi complex | | Descriptor: | CHOLESTEROL, DPN-CYS-PHE-DTR-LYS-THR-CYS-THO, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, J, Shao, Z. | | Deposit date: | 2022-06-28 | | Release date: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine.
Nat Commun, 14, 2023
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7XQ3
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7XPW
 | | Structure of OhTRP14 | | Descriptor: | Thioredoxin domain-containing protein 17 | | Authors: | Wang, S.Q, Huang, S.Q. | | Deposit date: | 2022-05-05 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural insights into the redox regulation of Oncomelania hupensis TRP14 and its potential role in the snail host response to parasite invasion.
Fish Shellfish Immunol., 128, 2022
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6LQD
 | | Structure of Enterovirus 71 in complex with NLD-22 | | Descriptor: | 1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one, Capsid protein VP1, Capsid protein VP2, ... | | Authors: | Zhang, M, Sun, Y, Wang, X, Guo, Y, Rao, Z. | | Deposit date: | 2020-01-13 | | Release date: | 2020-03-11 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.264 Å) | | Cite: | Design, Synthesis, and Evaluation of Novel Enterovirus 71 Inhibitors as Therapeutic Drug Leads for the Treatment of Human Hand, Foot, and Mouth Disease.
J.Med.Chem., 63, 2020
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5WYR
 | | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa | | Descriptor: | SINEFUNGIN, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Jaroensuk, J, Liew, C.W, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Zhong, W.H, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M. | | Deposit date: | 2017-01-15 | | Release date: | 2017-12-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.
Rna, 2019
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6XSW
 | | Structure of the Notch3 NRR in complex with an antibody Fab Fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-N3 Fab Heavy Chain, ... | | Authors: | Bard, J. | | Deposit date: | 2020-07-16 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | NOTCH3-targeted antibody drug conjugates regress tumors by inducing apoptosis in receptor cells and through transendocytosis into ligand cells.
Cell Rep Med, 2, 2021
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4XKX
 | | Crystal structure of BACE1 in complex with 2-aminooxazoline 3-azaxanthene inhibitor 28 | | Descriptor: | (5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | | Authors: | Whittington, D.A, Long, A.M. | | Deposit date: | 2015-01-12 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious beta-secretase inhibitors for the potential treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 25, 2015
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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: | 2023-09-20 | | 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
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