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4ZRJ
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BU of 4zrj by Molmil
Structure of Merlin-FERM and CTD
分子名称: GLYCEROL, Merlin
著者Lin, Z, Li, F, Long, J, Shen, Y.
登録日2015-05-12
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Angiomotin binding-induced activation of Merlin/NF2 in the Hippo pathway
Cell Res., 25, 2015
3JUA
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BU of 3jua by Molmil
Structural basis of YAP recognition by TEAD4 in the Hippo pathway
分子名称: 65 kDa Yes-associated protein, Transcriptional enhancer factor TEF-3
著者Chen, L, Song, H.
登録日2009-09-15
公開日2010-02-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of YAP recognition by TEAD4 in the hippo pathway.
Genes Dev., 24, 2010
5DQE
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BU of 5dqe by Molmil
Crystal structure of human transcription factor TEAD2 in complex with bromo-fenamic acid
分子名称: 2-[(3-bromophenyl)amino]benzoic acid, Transcriptional enhancer factor TEF-4
著者Han, X, Luo, X.
登録日2015-09-14
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.183 Å)
主引用文献Targeting the Central Pocket in Human Transcription Factor TEAD as a Potential Cancer Therapeutic Strategy.
Structure, 23, 2015
5DQ8
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BU of 5dq8 by Molmil
Crystal structure of human transcription factor TEAD2 in complex with flufenamic acid
分子名称: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Transcriptional enhancer factor TEF-4
著者Han, X, Luo, X.
登録日2015-09-14
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.305 Å)
主引用文献Targeting the Central Pocket in Human Transcription Factor TEAD as a Potential Cancer Therapeutic Strategy.
Structure, 23, 2015
5GN0
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BU of 5gn0 by Molmil
Structure of TAZ-TEAD complex
分子名称: CITRIC ACID, PALMITIC ACID, Transcriptional enhancer factor TEF-3, ...
著者Kaan, H.Y.K, Song, H.
登録日2016-07-18
公開日2017-05-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of TAZ-TEAD complex reveals a distinct interaction mode from that of YAP-TEAD complex
Sci Rep, 7, 2017
2OGD
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BU of 2ogd by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ...
著者Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E.
登録日2007-01-05
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bisphosphonates: Teaching Old Drugs with New Tricks
TO BE PUBLISHED
2OPN
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BU of 2opn by Molmil
Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527
分子名称: 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, ...
著者Cao, R, Gao, Y.G, Robinson, H, Goddard, A, Oldfield, E.
登録日2007-01-29
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Bisphosphonates: Teaching Old Drugs with New Tricks
To be Published
8H7N
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BU of 8h7n by Molmil
Structure of nanobody 11A in complex with triazophos
分子名称: 1,2-ETHANEDIOL, Nanobody 11A, SODIUM ION, ...
著者Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
登録日2022-10-20
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of nanobody 11A in complex with triazophos
To Be Published
8H7M
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BU of 8h7m by Molmil
Structure of nanobody 11A in complex with parathion
分子名称: Nanobody 11A, parathion
著者Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
登録日2022-10-20
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure of nanobody 11A in complex with parathion
To Be Published
8H7I
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BU of 8h7i by Molmil
Structure of nanobody 11A in complex with quinalphos
分子名称: Nanobody 11A, quinalphos
著者Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
登録日2022-10-20
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of nanobody 11A in complex with quinalphos
To Be Published
8H7R
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BU of 8h7r by Molmil
Structure of nanobody 11A in complex with coumaphos
分子名称: Nanobody 11A, coumaphos
著者Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
登録日2022-10-20
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of nanobody 11A in complex with coumaphos
To Be Published
6HAW
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BU of 6haw by Molmil
Crystal structure of bovine cytochrome bc1 in complex with 2-pyrazolyl quinolone inhibitor WDH2G7
分子名称: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ...
著者Amporndanai, K, Hong, W.D, O'Neill, P.M, Hasnain, S.S, Antonyuk, S.V.
登録日2018-08-08
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Potent Antimalarial 2-Pyrazolyl Quinolonebc1(Qi) Inhibitors with Improved Drug-like Properties.
ACS Med Chem Lett, 9, 2018
5Y16
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BU of 5y16 by Molmil
Crystal structure of human DUSP28(Y102H)
分子名称: CHLORIDE ION, Dual specificity phosphatase 28, PHOSPHATE ION
著者Ku, B, Kim, M, Kim, S.J, Ryu, S.E.
登録日2017-07-19
公開日2017-11-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Structural and biochemical analysis of atypically low dephosphorylating activity of human dual-specificity phosphatase 28
PLoS ONE, 12, 2017
5Z2Q
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BU of 5z2q by Molmil
Vgll1-TEAD4 core complex
分子名称: PHOSPHATE ION, Transcription cofactor vestigial-like protein 1, Transcriptional enhancer factor TEF-3
著者Pobbati, A.V, Song, H.
登録日2018-01-03
公開日2018-01-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structural and functional similarity between the Vgll1-TEAD and the YAP-TEAD complexes.
Structure, 20, 2012
5XJD
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BU of 5xjd by Molmil
TEAD in complex with fragment
分子名称: (2S)-2-phenyl-2-pyrrol-1-yl-ethanoic acid, Transcriptional enhancer factor TEF-3
著者Kaan, H.Y.K, Sim, A.Y.L, Tan, S.K.J, Verma, C, Song, H.
登録日2017-05-01
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Targeting YAP/TAZ-TEAD protein-protein interactions using fragment-based and computational modeling approaches.
PLoS ONE, 12, 2017
7V7M
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BU of 7v7m by Molmil
crystal structure of SARS-CoV-2 3CL protease
分子名称: 3C-like proteinase
著者Yi, Y, Zhang, M, Ye, M.
登録日2021-08-21
公開日2022-06-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献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
7YAC
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BU of 7yac by Molmil
Paltusotine-bound SSTR2-Gi complex
分子名称: 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, ...
著者Zhao, J, Shao, Z.
登録日2022-06-27
公開日2023-04-19
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine.
Nat Commun, 14, 2023
7YAE
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BU of 7yae by Molmil
Octreotide-bound SSTR2-Gi complex
分子名称: CHOLESTEROL, DPN-CYS-PHE-DTR-LYS-THR-CYS-THO, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, J, Shao, Z.
登録日2022-06-28
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine.
Nat Commun, 14, 2023
7XQ3
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BU of 7xq3 by Molmil
Crystal structure of the tetramer of thioredoxin domain containing-protein of Oncomelania hupensis(OhTRP14)
分子名称: Thioredoxin domain-containing protein 17
著者Wang, S.Q, Huang, S.Q.
登録日2022-05-06
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献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
7XPW
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BU of 7xpw by Molmil
Structure of OhTRP14
分子名称: Thioredoxin domain-containing protein 17
著者Wang, S.Q, Huang, S.Q.
登録日2022-05-05
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献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
6LQD
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BU of 6lqd by Molmil
Structure of Enterovirus 71 in complex with NLD-22
分子名称: 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, ...
著者Zhang, M, Sun, Y, Wang, X, Guo, Y, Rao, Z.
登録日2020-01-13
公開日2020-03-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.264 Å)
主引用文献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
5WYR
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BU of 5wyr by Molmil
Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa
分子名称: SINEFUNGIN, tRNA (guanine-N(1)-)-methyltransferase
著者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.
登録日2017-01-15
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.
Rna, 2019
6XSW
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BU of 6xsw by Molmil
Structure of the Notch3 NRR in complex with an antibody Fab Fragment
分子名称: 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, ...
著者Bard, J.
登録日2020-07-16
公開日2021-07-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献NOTCH3-targeted antibody drug conjugates regress tumors by inducing apoptosis in receptor cells and through transendocytosis into ligand cells.
Cell Rep Med, 2, 2021
4XKX
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BU of 4xkx by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 3-azaxanthene inhibitor 28
分子名称: (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, ...
著者Whittington, D.A, Long, A.M.
登録日2015-01-12
公開日2015-02-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
8H6T
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BU of 8h6t by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor
分子名称: (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
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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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