7XZR
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![BU of 7xzr by Molmil](/molmil-images/mine/7xzr) | Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | Authors: | Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. | Deposit date: | 2022-06-03 | Release date: | 2022-10-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors. J.Am.Chem.Soc., 144, 2022
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7XZQ
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![BU of 7xzq by Molmil](/molmil-images/mine/7xzq) | Crystal structure of TNIK-thiopeptide TP1 complex | Descriptor: | 1,4-BUTANEDIOL, TRAF2 and NCK-interacting protein kinase, thiopeptide TP1 | Authors: | Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. | Deposit date: | 2022-06-03 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors. J.Am.Chem.Soc., 144, 2022
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7XNG
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![BU of 7xng by Molmil](/molmil-images/mine/7xng) | Crystal structure of CBP bromodomain liganded with Y08092(31g) | Descriptor: | 3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2S)-oxan-2-yl]oxymethyl]benzoic acid, CREB-binding protein, DI(HYDROXYETHYL)ETHER, ... | Authors: | Xiang, Q, Zhang, Y, Wang, C, Song, M, Xu, Y. | Deposit date: | 2022-04-28 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of CBP bromodomain liganded with Y08092(31g) To Be Published
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7VLB
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7YE1
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![BU of 7ye1 by Molmil](/molmil-images/mine/7ye1) | The cryo-EM structure of C. crescentus GcrA-TACup | Descriptor: | Cell cycle regulatory protein GcrA, DNA (57-MER)-non template, DNA (57-MER)-template, ... | Authors: | Wu, X.X, Zhang, Y. | Deposit date: | 2022-07-05 | Release date: | 2023-01-18 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structures of Caulobacter crescentus transcription activation complex with an essential cell cycle regulator GcrA Nucleic Acids Res., 2023
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7YE2
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![BU of 7ye2 by Molmil](/molmil-images/mine/7ye2) | The cryo-EM structure of C. crescentus GcrA-TACdown | Descriptor: | Cell cycle regulatory protein GcrA, DNA (90-MER)-non template, DNA (90-MER)-template, ... | Authors: | Wu, X.X, Zhang, Y. | Deposit date: | 2022-07-05 | Release date: | 2023-01-18 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of Caulobacter crescentus transcription activation complex with an essential cell cycle regulator GcrA Nucleic Acids Res., 2023
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7DIE
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![BU of 7die by Molmil](/molmil-images/mine/7die) | Crystal structure of M. penetrans Ferritin | Descriptor: | FE (III) ION, Ferritin | Authors: | Wang, w.m, Zhang, y, Wang, h.f. | Deposit date: | 2020-11-19 | Release date: | 2021-05-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ferritin with Atypical Ferroxidase Centers Takes B-Channels as the Pathway for Fe 2+ Uptake from Mycoplasma . Inorg.Chem., 60, 2021
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7E14
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![BU of 7e14 by Molmil](/molmil-images/mine/7e14) | Compound2_GLP-1R_OWL833_Gs complex structure | Descriptor: | 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one, CHOLESTEROL, G protein, ... | Authors: | Cong, Z.T, Chen, L.N, Ma, H.L, Yang, D.H, Xu, H.E, Zhang, Y, Wang, M.W. | Deposit date: | 2021-01-30 | Release date: | 2021-07-07 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor. Nat Commun, 12, 2021
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7DUQ
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![BU of 7duq by Molmil](/molmil-images/mine/7duq) | Cryo-EM structure of the compound 2 and GLP-1-bound human GLP-1 receptor-Gs complex | Descriptor: | CHOLESTEROL, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ... | Authors: | Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | Deposit date: | 2021-01-11 | Release date: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor. Nat Commun, 12, 2021
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7DUR
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![BU of 7dur by Molmil](/molmil-images/mine/7dur) | Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex | Descriptor: | CHOLESTEROL, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | Deposit date: | 2021-01-11 | Release date: | 2021-08-11 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor. Nat Commun, 12, 2021
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7EGT
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![BU of 7egt by Molmil](/molmil-images/mine/7egt) | The crystal structure of the C-terminal domain of T. thermophilus UvrD complexed with the N-terminal domain of UvrB | Descriptor: | DNA helicase UvrD, UvrABC system protein B | Authors: | Zheng, F, Shen, L, Li, L, Zhang, Y. | Deposit date: | 2021-03-26 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.581 Å) | Cite: | Crucial role and mechanism of transcription-coupled DNA repair in bacteria. Nature, 604, 2022
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7EVM
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![BU of 7evm by Molmil](/molmil-images/mine/7evm) | Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex | Descriptor: | CHOLESTEROL, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | Deposit date: | 2021-05-21 | Release date: | 2021-08-11 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor. Nat Commun, 12, 2021
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7JJO
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![BU of 7jjo by Molmil](/molmil-images/mine/7jjo) | Structural Basis of the Activation of Heterotrimeric Gs-protein by Isoproterenol-bound Beta1-Adrenergic Receptor | Descriptor: | Beta1-Adrenergic Receptor, 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, ... | Authors: | Su, M, Zhu, L, Zhang, Y, Paknejad, N, Dey, R, Huang, J, Lee, M.Y, Williams, D, Jordan, K.D, Eng, E.T, Ernst, O.P, Meyerson, J.R, Hite, R.K, Walz, T, Liu, W, Huang, X.Y. | Deposit date: | 2020-07-27 | Release date: | 2020-09-02 | Last modified: | 2020-10-14 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural Basis of the Activation of Heterotrimeric Gs-Protein by Isoproterenol-Bound beta 1 -Adrenergic Receptor. Mol.Cell, 80, 2020
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5QIN
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5QIM
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5QIL
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5QIK
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![BU of 5qik by Molmil](/molmil-images/mine/5qik) | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide | Descriptor: | GLYCEROL, N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1 | Authors: | Sheriff, S. | Deposit date: | 2018-08-05 | Release date: | 2018-10-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents. ACS Med Chem Lett, 9, 2018
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5VL7
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![BU of 5vl7 by Molmil](/molmil-images/mine/5vl7) | PCSK9 complex with Fab33 | Descriptor: | Fab33 heavy chain, Fab33 light chain, Proprotein convertase subtilisin/kexin type 9 | Authors: | Eigenbrot, C, Shia, S. | Deposit date: | 2017-04-25 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists. Nat. Struct. Mol. Biol., 24, 2017
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4FK3
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![BU of 4fk3 by Molmil](/molmil-images/mine/4fk3) | B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203 | Descriptor: | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Zhang, Y, Wang, W, Zhang, K.Y.J. | Deposit date: | 2012-06-12 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity. Proc.Natl.Acad.Sci.USA, 105, 2008
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6Q1F
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![BU of 6q1f by Molmil](/molmil-images/mine/6q1f) | Atomic structure of the Human Herpesvirus 6B Capsid and Capsid-Associated Tegument Complexes | Descriptor: | Large structural phosphoprotein, Major capsid protein, Small capsomere-interacting protein, ... | Authors: | Zhang, Y.B, Liu, W, Li, Z.H, Kumar, V, Alvarez-Cabrera, A.L, Leibovitch, E, Cui, Y.X, Mei, Y, Bi, G.Q, Jacobson, S, Zhou, Z.H. | Deposit date: | 2019-08-03 | Release date: | 2019-12-11 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Atomic structure of the human herpesvirus 6B capsid and capsid-associated tegument complexes. Nat Commun, 10, 2019
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6LL9
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6XRQ
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![BU of 6xrq by Molmil](/molmil-images/mine/6xrq) | Structural descriptions of ligand interactions to DNA and RNA quadruplexes folded from the non-coding region of Pseudorabies virus | Descriptor: | 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, POTASSIUM ION, RNA (5' GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A-3') | Authors: | Zhang, Y.S, Parkinson, G.N, Wei, D.G. | Deposit date: | 2020-07-13 | Release date: | 2021-07-28 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Structural descriptions of ligand interactions to RNA quadruplexes folded from the non-coding region of Pseudorabies virus. Biochimie, 2024
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6GFM
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![BU of 6gfm by Molmil](/molmil-images/mine/6gfm) | Crystal structure of the Escherichia coli nucleosidase PpnN (pppGpp-form) | Descriptor: | Pyrimidine/purine nucleotide 5'-monophosphate nucleosidase, guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate) | Authors: | Zhang, Y, Baerentsen, R.L, Gerdes, K, Brodersen, D.E. | Deposit date: | 2018-05-01 | Release date: | 2019-04-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | (p)ppGpp Regulates a Bacterial Nucleosidase by an Allosteric Two-Domain Switch. Mol.Cell, 74, 2019
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6GFL
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7D0A
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![BU of 7d0a by Molmil](/molmil-images/mine/7d0a) | Acinetobacter MlaFEDB complex in ADP-vanadate trapped Vclose conformation | Descriptor: | ABC transporter ATP-binding protein, ADENOSINE-5'-DIPHOSPHATE, Anti-sigma factor antagonist, ... | Authors: | Zhang, Y.Y, Fan, Q.X, Chi, X.M, Zhou, Q, Li, Y.Y. | Deposit date: | 2020-09-09 | Release date: | 2020-12-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structures of Acinetobacter baumannii glycerophospholipid transporter. Cell Discov, 6, 2020
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