5HLN
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![BU of 5hln by Molmil](/molmil-images/mine/5hln) | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHIR99021, Glycogen synthase kinase-3 beta, ... | Authors: | White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K. | Deposit date: | 2016-01-15 | Release date: | 2016-05-25 | Last modified: | 2016-07-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects. Acs Chem.Biol., 11, 2016
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5HLP
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![BU of 5hlp by Molmil](/molmil-images/mine/5hlp) | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937 | Descriptor: | 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | Authors: | White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K. | Deposit date: | 2016-01-15 | Release date: | 2016-05-25 | Last modified: | 2016-07-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects. Acs Chem.Biol., 11, 2016
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8GQE
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![BU of 8gqe by Molmil](/molmil-images/mine/8gqe) | Crystal structure of the W285A mutant of UVR8 in complex with RUP2 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ultraviolet-B receptor UVR8, WD repeat-containing protein RUP2 | Authors: | Wang, Y.D, Wang, L.X, Guan, Z.Y, chang, H.F, Yin, P. | Deposit date: | 2022-08-30 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | RUP2 facilitates UVR8 redimerization via two interfaces. Plant Commun., 4, 2023
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6PNY
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![BU of 6pny by Molmil](/molmil-images/mine/6pny) | X-ray Structure of Flpp3 | Descriptor: | Flpp3 | Authors: | Zook, J.D, Shekhar, M, Hansen, D.T, Conrad, C, Grant, T.D, Gupta, C, White, T, Barty, A, Basu, S, Zhao, Y, Zatsepin, N.A, Ishchenko, A, Batyuk, A, Gati, C, Li, C, Galli, L, Coe, J, Hunter, M, Liang, M, Weierstall, U, Nelson, G, James, D, Stauch, B, Craciunescu, F, Thifault, D, Liu, W, Cherezov, V, Singharoy, A, Fromme, P. | Deposit date: | 2019-07-03 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia. Structure, 28, 2020
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7N8L
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![BU of 7n8l by Molmil](/molmil-images/mine/7n8l) | |
7N8M
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![BU of 7n8m by Molmil](/molmil-images/mine/7n8m) | |
7N8E
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![BU of 7n8e by Molmil](/molmil-images/mine/7n8e) | |
6RLN
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![BU of 6rln by Molmil](/molmil-images/mine/6rln) | Crystal structure of RIP1 kinase in complex with GSK3145095 | Descriptor: | Receptor-interacting serine/threonine-protein kinase 1, ~{N}-[(3~{S})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{H}-1,2,4-triazole-5-carboxamide | Authors: | Thorpe, J.H, Harris, P.A. | Deposit date: | 2019-05-02 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Identification of a RIP1 Kinase Inhibitor Clinical Candidate (GSK3145095) for the Treatment of Pancreatic Cancer. Acs Med.Chem.Lett., 10, 2019
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7W3Z
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![BU of 7w3z by Molmil](/molmil-images/mine/7w3z) | Cryo-EM Structure of Human Gastrin Releasing Peptide Receptor in complex with the agonist Gastrin Releasing Peptide and Gq heterotrimers | Descriptor: | Gastrin Releasing Peptide PRGNHWAVGHLM(NH2), 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: | Zhan, Y, Peng, S, Zhang, H. | Deposit date: | 2021-11-26 | Release date: | 2023-02-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structures of human gastrin-releasing peptide receptors bound to antagonist and agonist for cancer and itch therapy. Proc.Natl.Acad.Sci.USA, 120, 2023
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7W40
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![BU of 7w40 by Molmil](/molmil-images/mine/7w40) | Cryo-EM Structure of Human Gastrin Releasing Peptide Receptor in complex with the agonist Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] and Gq heterotrimers | Descriptor: | Bombesin, 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: | Zhan, Y, Peng, S, Zhang, H. | Deposit date: | 2021-11-26 | Release date: | 2023-02-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structures of human gastrin-releasing peptide receptors bound to antagonist and agonist for cancer and itch therapy. Proc.Natl.Acad.Sci.USA, 120, 2023
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7W41
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3VOD
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![BU of 3vod by Molmil](/molmil-images/mine/3vod) | Crystal Structure of mutant MarR C80S from E.coli | Descriptor: | Multiple antibiotic resistance protein marR | Authors: | Lou, H, Zhu, R, Hao, Z. | Deposit date: | 2012-01-21 | Release date: | 2013-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The multiple antibiotic resistance regulator MarR is a copper sensor in Escherichia coli. Nat.Chem.Biol., 10, 2014
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8TBH
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![BU of 8tbh by Molmil](/molmil-images/mine/8tbh) | Tricomplex of RMC-7977, KRAS G12R, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Bar Ziv, T, Zhang, D, Tomlinson, A.C.A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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4WWO
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![BU of 4wwo by Molmil](/molmil-images/mine/4wwo) | Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine | Descriptor: | N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2014-11-11 | Release date: | 2014-12-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
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6PTO
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![BU of 6pto by Molmil](/molmil-images/mine/6pto) | Structure of Ctf4 trimer in complex with three CMG helicases | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, DNA polymerase alpha-binding protein, ... | Authors: | Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H. | Deposit date: | 2019-07-16 | Release date: | 2019-11-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Ctf4 organizes sister replisomes and Pol alpha into a replication factory. Elife, 8, 2019
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6PTJ
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![BU of 6ptj by Molmil](/molmil-images/mine/6ptj) | Structure of Ctf4 trimer in complex with one CMG helicase | Descriptor: | Cell division control protein 45, DNA polymerase alpha-binding protein, DNA replication complex GINS protein PSF1, ... | Authors: | Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H. | Deposit date: | 2019-07-15 | Release date: | 2019-11-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Ctf4 organizes sister replisomes and Pol alpha into a replication factory. Elife, 8, 2019
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4WWN
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![BU of 4wwn by Molmil](/molmil-images/mine/4wwn) | Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor | Descriptor: | N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2014-11-11 | Release date: | 2014-12-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
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6PTN
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![BU of 6ptn by Molmil](/molmil-images/mine/6ptn) | Structure of Ctf4 trimer in complex with two CMG helicases | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, DNA polymerase alpha-binding protein, ... | Authors: | Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H. | Deposit date: | 2019-07-16 | Release date: | 2019-11-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Ctf4 organizes sister replisomes and Pol alpha into a replication factory. Elife, 8, 2019
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5T31
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![BU of 5t31 by Molmil](/molmil-images/mine/5t31) | Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | Authors: | Stein, A.J, Holson, E.B, Wagner, F.F, Cambell, A.J. | Deposit date: | 2016-08-24 | Release date: | 2018-02-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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6RTI
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![BU of 6rti by Molmil](/molmil-images/mine/6rti) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with aptamer A9g | Descriptor: | (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Motlova, L, Kolenko, P, Barinka, C. | Deposit date: | 2019-05-24 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of prostate-specific membrane antigen recognition by the A9g RNA aptamer. Nucleic Acids Res., 48, 2020
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7DNC
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![BU of 7dnc by Molmil](/molmil-images/mine/7dnc) | Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | Descriptor: | 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | Authors: | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-09 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2. J.Med.Chem., 65, 2022
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6Z6Y
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![BU of 6z6y by Molmil](/molmil-images/mine/6z6y) | |
8E7O
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![BU of 8e7o by Molmil](/molmil-images/mine/8e7o) | CRYSTAL STRUCTURE OF LYS48-LINKED TETRAUBIQUITIN | Descriptor: | SULFATE ION, Ubiquitin | Authors: | Lemma, B.E, Fushman, D. | Deposit date: | 2022-08-24 | Release date: | 2022-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of selective recognition of Lys48-linked polyubiquitin by macrocyclic peptide inhibitors of proteasomal degradation. Nat Commun, 14, 2023
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7VGG
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![BU of 7vgg by Molmil](/molmil-images/mine/7vgg) | Cryo-EM structure of Ultraviolet-B activated UVR8 in complex with COP1 | Descriptor: | E3 ubiquitin-protein ligase COP1, Ultraviolet-B receptor UVR8 | Authors: | Wang, Y.D, Wang, L.X, Guan, Z.Y, Yin, P. | Deposit date: | 2021-09-16 | Release date: | 2022-05-04 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insight into UV-B-activated UVR8 bound to COP1. Sci Adv, 8, 2022
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7NE3
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![BU of 7ne3 by Molmil](/molmil-images/mine/7ne3) | Human TET2 in complex with favourable DNA substrate. | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*CP*AP*GP*GP*(5CM)P*GP*CP*CP*TP*G)-3'), ... | Authors: | Rafalski, D, Bochtler, M. | Deposit date: | 2021-02-03 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Pronounced sequence specificity of the TET enzyme catalytic domain guides its cellular function. Sci Adv, 8, 2022
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