PDB: 243531 resultsInfo pagesStatus searchChemie searchBIRD

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8VVG	Kappa opioid receptor in complex with heterotrimerig Gi protein, bound to inverse agonist GB18 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: Gati, C, Motiwala, Z, Tyson, A.S, Styrpejko, D, Han, G.W, Khan, S, Ramos-Gonzalez, N, Shenvi, R, Majumdar, S. Deposit date: 2024-01-31 Release date: 2025-01-15 Last modified: 2025-08-13 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Molecular mechanisms of inverse agonism via kappa-opioid receptor-G protein complexes. Nat.Chem.Biol., 21, 2025
7MAR	Drug Resistant HIV-1 Protease (L10F, M46I, I47V, I50V, F53L, L63P, I72V, G73S, V82I, I85V) in Complex with DRV Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-11-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Drug Resistant HIV-1 Protease (L10F, M46I, I47V, I50V, F53L, L63P, I72V, G73S, V82I, I85V) in Complex with DRV To Be Published
8VV6	The crystal structure of Brucella abortus FtrA-H151A mutant Descriptor: FtrA, GLYCEROL Authors: Roy, S, Garcia, B.L. Deposit date: 2024-01-30 Release date: 2025-02-05 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystal structures of FtrA and FtrB of the Brucella abortus ferrous iron transporter FtrABCD system To Be Published
5VWO	Ornithine aminotransferase inactivated by (1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP) Descriptor: (1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial Authors: Mascarenhas, R, Liu, D, Le, H, Silverman, R. Deposit date: 2017-05-22 Release date: 2017-08-30 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.773 Å) Cite: Selective Targeting by a Mechanism-Based Inactivator against Pyridoxal 5'-Phosphate-Dependent Enzymes: Mechanisms of Inactivation and Alternative Turnover. Biochemistry, 56, 2017
6W69	The structure of F64, S172A Keap1-BTB domain Descriptor: Kelch-like ECH-associated protein 1 Authors: Mena, E.L, Gee, C.L, Kuriyan, J, Rape, M. Deposit date: 2020-03-16 Release date: 2020-08-19 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.501 Å) Cite: Structural basis for dimerization quality control. Nature, 586, 2020
5IDR	Crystal structure of Proteus Mirabilis ScsC in a transitional conformation Descriptor: DsbA-like protein Authors: Furlong, E.J, Kurth, F, Choudhury, H.G, Martin, J.L. Deposit date: 2016-02-24 Release date: 2017-08-02 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.562 Å) Cite: A shape-shifting redox foldase contributes to Proteus mirabilis copper resistance. Nat Commun, 8, 2017
8VX7	Computationally designed tunable C2 symmetric tandem repeat homodimer, bound to cyclic peptide Descriptor: CID7, MC1 Authors: Kennedy, M.A, Stoddard, B.L, Said, M. Deposit date: 2024-02-03 Release date: 2025-02-05 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Computationally designed tunable C2 symmetric tandem repeat homodimer, bound to cyclic peptide To Be Published
6W6D	Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with SGC6870 inhibitor Descriptor: (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE Authors: Halabelian, L, Zeng, H, Dong, A, Jin, J, Shen, Y, Kaniskan, H.U, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) Deposit date: 2020-03-16 Release date: 2020-04-29 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.91 Å) Cite: A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6. J.Med.Chem., 64, 2021
7LPK	Crystal structure of BPTF bromodomain in complex with inhibitor HZ-03-112 Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF Authors: Chan, A, Schonbrunn, E. Deposit date: 2021-02-12 Release date: 2022-08-10 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.39 Å) Cite: New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
5VXG	Crystal structure of Xanthomonas campestris OleA E117Q bound with Cerulenin Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[ACP] synthase III, ... Authors: Jensen, M.R, Wilmot, C.M. Deposit date: 2017-05-23 Release date: 2017-10-25 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.07 Å) Cite: OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis. Biochem. J., 474, 2017
8VVI	Cryo-EM structure of a type II ZorAB complex from Sulfuricurvum kujiense Descriptor: MotA/TolQ/ExbB proton channel domain-containing protein, Motility protein B-like N-terminal domain-containing protein Authors: Deme, J.C, Lea, S.M. Deposit date: 2024-01-31 Release date: 2025-02-05 Last modified: 2025-05-14 Method: ELECTRON MICROSCOPY (2.8 Å) Cite: Modularity of Zorya defense systems during phage inhibition. Nat Commun, 16, 2025
8VYB	Cryo-EM structure of human core Rab3GAP1/2 complex Descriptor: Isoform 2 of Rab3 GTPase-activating protein catalytic subunit, Rab3 GTPase-activating protein non-catalytic subunit Authors: Nguyen, K.M, Yip, C.K. Deposit date: 2024-02-07 Release date: 2025-01-15 Method: ELECTRON MICROSCOPY (3.37 Å) Cite: Biochemical and structural characterization of Rab3GAP reveals insights into Rab18 nucleotide exchange activity. Nat Commun, 16, 2025
7MA7	HIV-1 Protease (I84V) in Complex with UMass7 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate, Protease, SULFATE ION Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-11-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.919 Å) Cite: HIV-1 Protease (I84V) in Complex with UMass7 To Be Published
6VSD	Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-((thiophen-2-ylthio)methyl)benzoic acid (fragment 13) Descriptor: 3-(thiophen-2-ylsulfanylmethyl)benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Ribeiro, J.A, Dias, M.V.B. Deposit date: 2020-02-11 Release date: 2020-07-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.693 Å) Cite: Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
5I8K	HHH1 Fab fragment Descriptor: HHH1 Fab Heavy chain, HHH1 Fab Light chain Authors: Andersen, G.R, Spillner, E. Deposit date: 2016-02-19 Release date: 2016-03-23 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.771 Å) Cite: HHH1 Fab fragment To be published
5VXS	Crystal Structure Analysis of human CLYBL in apo form Descriptor: CITRIC ACID, Citrate lyase subunit beta-like protein, mitochondrial Authors: Shen, H. Deposit date: 2017-05-24 Release date: 2017-11-01 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.954 Å) Cite: The Human Knockout Gene CLYBL Connects Itaconate to Vitamin B12. Cell, 171, 2017
8W2S	Cas9d Effector:sgRNA Binary Complex Descriptor: HNH nuclease domain-containing protein, sgRNA Authors: Fregoso Ocampo, R, Bravo, J.P.K, Taylor, D.W. Deposit date: 2024-02-21 Release date: 2025-01-15 Last modified: 2025-06-04 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: DNA targeting by compact Cas9d and its resurrected ancestor. Nat Commun, 16, 2025
6VSG	Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(trifluoromethyl)benzene-1,2-diamine(fragment 17) Descriptor: 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Ribeiro, J.A, Dias, M.V.B. Deposit date: 2020-02-11 Release date: 2020-07-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.304 Å) Cite: Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
5I99	Crystal structure of mouse CNTN3 Ig5-Fn2 domains Descriptor: Contactin-3, GLYCEROL Authors: Nikolaienko, R.M, Bouyain, S. Deposit date: 2016-02-19 Release date: 2016-08-31 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural Basis for Interactions Between Contactin Family Members and Protein-tyrosine Phosphatase Receptor Type G in Neural Tissues. J.Biol.Chem., 291, 2016
7MA9	HIV-1 Protease (I84V) in Complex with UMass9 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, Protease, SULFATE ION Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-11-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.9 Å) Cite: HIV-1 Protease (I84V) in Complex with UMass9 To Be Published
5IE5	Crystal structure of a lactonase double mutant in complex with substrate a Descriptor: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase Authors: Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T. Deposit date: 2016-02-25 Release date: 2017-01-04 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.39 Å) Cite: Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering Acs Catalysis, 6, 2016
7MA6	HIV-1 Protease (I84V) in Complex with UMass5 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-11-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.995 Å) Cite: HIV-1 Protease (I84V) in Complex with UMass5 To Be Published
5VYK	Crystal structure of the BRS domain of BRAF in complex with the CC-SAM domain of KSR1 Descriptor: Chimera protein of BRS domain of BRAF and CC-SAM domain of KSR1,Serine/threonine-protein kinase B-raf, GLYCEROL Authors: Maisonneuve, P, Kurinov, I, Marullo, S.A, Lavoie, H, Thevakumaran, N, Sahmi, M, Jin, T, Therrien, M, SIcheri, F. Deposit date: 2017-05-25 Release date: 2018-02-14 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.749 Å) Cite: MEK drives BRAF activation through allosteric control of KSR proteins. Nature, 554, 2018
7MAS	Drug Resistant HIV-1 Protease (L10F, M46I, I50V, F53L, L63P, G73S) in Complex with DRV Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-11-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Drug Resistant HIV-1 Protease (L10F, M46I, I50V, F53L, L63P, G73S) in Complex with DRV To Be Published
8VUO	Crystal structure of SARS-CoV-2 nsp16/nsp10 in complex with Cap-1 RNA Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, ... Authors: Misra, A, Rahisuddin, R, Gupta, Y.K. Deposit date: 2024-01-29 Release date: 2025-02-05 Method: X-RAY DIFFRACTION (2.39 Å) Cite: Crystal structure of SARS-CoV-2 nsp16/nsp10 in complex with Cap-1 RNA To Be Published

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