4ZRI
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![BU of 4zri by Molmil](/molmil-images/mine/4zri) | Crystal structure of Merlin-FERM and Lats2 | Descriptor: | Merlin, Serine/threonine-protein kinase LATS2 | Authors: | Li, F, Zhou, H, Long, J, Shen, Y. | Deposit date: | 2015-05-12 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Angiomotin binding-induced activation of Merlin/NF2 in the Hippo pathway Cell Res., 25, 2015
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4ZRJ
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![BU of 4zrj by Molmil](/molmil-images/mine/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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6HAW
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![BU of 6haw by Molmil](/molmil-images/mine/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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3JUA
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![BU of 3jua by Molmil](/molmil-images/mine/3jua) | |
5DQE
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![BU of 5dqe by Molmil](/molmil-images/mine/5dqe) | |
5DQ8
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![BU of 5dq8 by Molmil](/molmil-images/mine/5dq8) | |
5GN0
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![BU of 5gn0 by Molmil](/molmil-images/mine/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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2OPN
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![BU of 2opn by Molmil](/molmil-images/mine/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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2OGD
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![BU of 2ogd by Molmil](/molmil-images/mine/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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8H7N
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![BU of 8h7n by Molmil](/molmil-images/mine/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
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![BU of 8h7m by Molmil](/molmil-images/mine/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
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![BU of 8h7i by Molmil](/molmil-images/mine/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
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![BU of 8h7r by Molmil](/molmil-images/mine/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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5Y16
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![BU of 5y16 by Molmil](/molmil-images/mine/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
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![BU of 5z2q by Molmil](/molmil-images/mine/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
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![BU of 5xjd by Molmil](/molmil-images/mine/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
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![BU of 7v7m by Molmil](/molmil-images/mine/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
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![BU of 7yac by Molmil](/molmil-images/mine/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
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![BU of 7yae by Molmil](/molmil-images/mine/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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7XPW
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![BU of 7xpw by Molmil](/molmil-images/mine/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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7XQ3
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7MWN
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![BU of 7mwn by Molmil](/molmil-images/mine/7mwn) | An engineered PYL2-based WIN 55,212-2 synthetic cannabinoid sensor with a stabilized HAB1 variant | Descriptor: | ACETATE ION, Abscisic acid receptor PYL2, CHLORIDE ION, ... | Authors: | Peterson, F.C, Beltran, J, Bedewitz, M, Steiner, P.J, Cutler, S.R, Whitehead, T.A. | Deposit date: | 2021-05-17 | Release date: | 2022-06-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Rapid biosensor development using plant hormone receptors as reprogrammable scaffolds. Nat.Biotechnol., 40, 2022
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8H6T
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![BU of 8h6t by Molmil](/molmil-images/mine/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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8H6P
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![BU of 8h6p by Molmil](/molmil-images/mine/8h6p) | Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | Descriptor: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Ren, X. | Deposit date: | 2022-10-18 | Release date: | 2023-02-22 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (2.44 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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7C2E
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![BU of 7c2e by Molmil](/molmil-images/mine/7c2e) | GLP-1R-Gs complex structure with a small molecule full agonist | Descriptor: | 2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Ma, H, Yuan, D.P, Huang, W, Wenge, Z, Xu, E. | Deposit date: | 2020-05-07 | Release date: | 2020-08-26 | Last modified: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural insights into the activation of GLP-1R by a small molecule agonist. Cell Res., 30, 2020
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