6B7H
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![BU of 6b7h by Molmil](/molmil-images/mine/6b7h) | Structure of mGluR3 with an agonist | Descriptor: | (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Monn, J.A, Clawson, D.K. | Deposit date: | 2017-10-04 | Release date: | 2018-04-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Synthesis and Pharmacological Characterization of C4beta-Amide-Substituted 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1 S,2 S,4 S,5 R,6 S)-2-Amino-4-[(3-methoxybenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2794193), a Highly Potent and Selective mGlu3Receptor Agonist. J. Med. Chem., 61, 2018
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2Q06
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![BU of 2q06 by Molmil](/molmil-images/mine/2q06) | Crystal structure of Influenza A Virus H5N1 Nucleoprotein | Descriptor: | Nucleoprotein | Authors: | Ng, A.K.L, Zhang, H, Tan, K, Wang, J, Shaw, P.C. | Deposit date: | 2007-05-21 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of the influenza virus A H5N1 nucleoprotein: implications for RNA binding, oligomerization, and vaccine design. Faseb J., 22, 2008
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4YTC
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4YTH
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6YQ1
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![BU of 6yq1 by Molmil](/molmil-images/mine/6yq1) | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide | Descriptor: | Focal adhesion kinase 1, SODIUM ION, SULFATE ION, ... | Authors: | Musil, D, Heinrich, T, Amaral, M. | Deposit date: | 2020-04-16 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.784 Å) | Cite: | Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2. Cell Chem Biol, 28, 2021
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6YR9
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6YOJ
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4O1I
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![BU of 4o1i by Molmil](/molmil-images/mine/4o1i) | Crystal Structure of the regulatory domain of MtbGlnR | Descriptor: | Transcriptional regulatory protein | Authors: | Lin, W, Wang, C, Zhang, P. | Deposit date: | 2013-12-16 | Release date: | 2014-04-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions J.Biol.Chem., 289, 2014
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5YIK
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3TL8
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4ZZH
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![BU of 4zzh by Molmil](/molmil-images/mine/4zzh) | SIRT1/Activator Complex | Descriptor: | (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ZINC ION | Authors: | Dai, H. | Deposit date: | 2015-05-22 | Release date: | 2015-07-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.1001 Å) | Cite: | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex. Nat Commun, 6, 2015
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4ZZI
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![BU of 4zzi by Molmil](/molmil-images/mine/4zzi) | SIRT1/Activator/Inhibitor Complex | Descriptor: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ... | Authors: | Dai, H. | Deposit date: | 2015-05-22 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7346 Å) | Cite: | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex. Nat Commun, 6, 2015
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6JIV
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![BU of 6jiv by Molmil](/molmil-images/mine/6jiv) | SspE crystal structure | Descriptor: | SspE protein | Authors: | Bing, Y.Z, Yang, H.G. | Deposit date: | 2019-02-23 | Release date: | 2020-03-25 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities. Nat Microbiol, 5, 2020
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4ZZJ
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![BU of 4zzj by Molmil](/molmil-images/mine/4zzj) | SIRT1/Activator/Substrate Complex | Descriptor: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, Ac-p53, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Dai, H. | Deposit date: | 2015-05-22 | Release date: | 2015-07-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7403 Å) | Cite: | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex. Nat Commun, 6, 2015
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5OOH
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8EKX
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![BU of 8ekx by Molmil](/molmil-images/mine/8ekx) | Structure of MBP-Mcl-1 in complex with MIK665 | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | Deposit date: | 2022-09-22 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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7LUK
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![BU of 7luk by Molmil](/molmil-images/mine/7luk) | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692) IN COMPLEX WITH AN AZATRICYCLIC RORGT INVERSE AGONIST | Descriptor: | (2S)-N-[(6aS,7R,9aS)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide, Nuclear receptor ROR-gamma | Authors: | Sack, J.S. | Deposit date: | 2021-02-22 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.087 Å) | Cite: | Azatricyclic Inverse Agonists of ROR gamma t That Demonstrate Efficacy in Models of Rheumatoid Arthritis and Psoriasis. Acs Med.Chem.Lett., 12, 2021
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4X5Z
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![BU of 4x5z by Molmil](/molmil-images/mine/4x5z) | menin in complex with MI-136 | Descriptor: | 1,2-ETHANEDIOL, 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | Deposit date: | 2014-12-06 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo. Cancer Cell, 27, 2015
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6U25
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![BU of 6u25 by Molmil](/molmil-images/mine/6u25) | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST | Descriptor: | GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | Authors: | Sack, J. | Deposit date: | 2019-08-19 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy. J.Med.Chem., 62, 2019
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8IM7
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![BU of 8im7 by Molmil](/molmil-images/mine/8im7) | Human gamma-secretase treated with ganglioside GM1 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhou, R, Yang, G, Shi, Y. | Deposit date: | 2023-03-06 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Preferential Regulation of Gamma-Secretase-Mediated Cleavage of APP by Ganglioside GM1 Reveals a Potential Therapeutic Target for Alzheimer's Disease. Adv Sci, 10, 2023
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6L2T
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6B1B
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![BU of 6b1b by Molmil](/molmil-images/mine/6b1b) | STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI MUTANT XS6 (APO Enzyme) | Descriptor: | 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit, trimethylamine oxide | Authors: | Zhou, D, Kandavelu, P, Wang, B.C, Yan, Y, Rose, J.P. | Deposit date: | 2017-09-18 | Release date: | 2019-05-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | Structural Insights into Catalytic Versatility of the Flavin-dependent Hydroxylase (HpaB) from Escherichia coli. Sci Rep, 9, 2019
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3LZB
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![BU of 3lzb by Molmil](/molmil-images/mine/3lzb) | EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor | Descriptor: | Epidermal growth factor receptor, N-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide | Authors: | Swinger, K.K. | Deposit date: | 2010-03-01 | Release date: | 2011-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Imidazo[2,1-b]thiazoles: multitargeted inhibitors of both the insulin-like growth factor receptor and members of the epidermal growth factor family of receptor tyrosine kinases. Bioorg.Med.Chem.Lett., 20, 2010
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7N8O
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![BU of 7n8o by Molmil](/molmil-images/mine/7n8o) | High-resolution structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803 | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Gisriel, C.J, Brudvig, G.W. | Deposit date: | 2021-06-15 | Release date: | 2021-12-29 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (1.93 Å) | Cite: | High-resolution cryo-electron microscopy structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803. Proc.Natl.Acad.Sci.USA, 119, 2022
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3JY9
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![BU of 3jy9 by Molmil](/molmil-images/mine/3jy9) | Janus Kinase 2 Inhibitors | Descriptor: | (3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one, SODIUM ION, Tyrosine-protein kinase JAK2 | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | Deposit date: | 2009-09-21 | Release date: | 2009-12-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Janus kinase 2 inhibitors. Synthesis and characterization of a novel polycyclic azaindole. J.Med.Chem., 52, 2009
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