7M9X
 
 | HIV-1 Protease (I84V) in Complex with NR02-79 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.831 Å) | Cite: | HIV-1 Protease (I84V) in Complex with NR02-79 To Be Published
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5IDM
 
 | Bifunctional histidine kinase CckA (domain, CA) in complex with c-di-GMP and AMPPNP/Mg2+ | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Cell cycle histidine kinase CckA, MAGNESIUM ION, ... | Authors: | Dubey, B.N, Schirmer, T. | Deposit date: | 2016-02-24 | Release date: | 2016-10-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cyclic di-GMP mediates a histidine kinase/phosphatase switch by noncovalent domain cross-linking. Sci Adv, 2, 2016
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5VYD
 
 | Crystal structure of phosphodiesterase domain of RhoPDE fusion protein from the Choanoflagellate Salpingoeca rosetta | Descriptor: | MAGNESIUM ION, Phosphodiesterase, ZINC ION | Authors: | Prem Kumar, R, Lamarche, L.B, Oprian, D.D. | Deposit date: | 2017-05-25 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Purification and Characterization of RhoPDE, a Retinylidene/Phosphodiesterase Fusion Protein and Potential Optogenetic Tool from the Choanoflagellate Salpingoeca rosetta. Biochemistry, 56, 2017
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8W2Z
 
 | Cas9d 6bp R-loop Seed Complex | Descriptor: | DNA Non-Target Strand, DNA Target Strand, HNH nuclease domain-containing protein, ... | Authors: | Fregoso Ocampo, R, Bravo, J.P.K, Taylor, D.W. | Deposit date: | 2024-02-21 | Release date: | 2025-01-15 | Last modified: | 2025-05-28 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | DNA targeting by compact Cas9d and its resurrected ancestor. Nat Commun, 16, 2025
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6VTC
 
 | p53-specific T cell receptor | Descriptor: | T-cell Receptor 1a2, p53-specific T cell receptor, B-chain | Authors: | Wu, D, Gallagher, D.T, Gowthaman, R, Pierce, B.G, Mariuzza, R.A. | Deposit date: | 2020-02-12 | Release date: | 2020-06-17 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural basis for oligoclonal T cell recognition of a shared p53 cancer neoantigen. Nat Commun, 11, 2020
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5IGI
 
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8VVE
 
 | Kappa opioid receptor:Galphai protein in complex with inverse agonist norBNI | Descriptor: | (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)-7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,20,20b-dodecahydro-19aH-4,8:11,15-dimethanobis[1]benzofuro[2,3-a:3',2'-i]dipyrido[4,3-b:3',4'-h]carbazole-1,8a,10a,18-tetrol, 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: | 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: | 2025-07-09 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular mechanisms of inverse agonism via kappa-opioid receptor-G protein complexes. Nat.Chem.Biol., 21, 2025
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5VYJ
 
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7M9V
 
 | HIV-1 Protease (I84V) in Complex with NR01-141 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.891 Å) | Cite: | HIV-1 Protease (I84V) in Complex with NR01-141 To Be Published
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8VEZ
 
 | De novo design apixaban-binding protein: apx1049 | Descriptor: | 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE, De novo design apixaban-binding protein: apx1049 | Authors: | Bera, A.K, Lee, G.R, Baker, D. | Deposit date: | 2023-12-20 | Release date: | 2025-01-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Small-molecule binding and sensing with a designed protein family To Be Published
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5IGT
 
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8VLW
 
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7M9W
 
 | HIV-1 Protease (I84V) in Complex with NR02-73 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | HIV-1 Protease (I84V) in Complex with NR02-73 To Be Published
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8VO8
 
 | Cryo-EM structure of fascin crosslinked F-actin (Eigen_left) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Gong, R, Reynolds, M.J, Alushin, G.M. | Deposit date: | 2024-01-14 | Release date: | 2025-01-15 | Last modified: | 2025-05-28 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Fascin structural plasticity mediates flexible actin bundle construction. Nat.Struct.Mol.Biol., 32, 2025
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8W3C
 
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7M4B
 
 | DNA Polymerase Lambda, TTP:At Mn2+ Product State Ternary Complex, 60 min | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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5VH1
 
 | Crystal Structure of Chicken Gamma S Crystallin | Descriptor: | Gamma S-crystallin | Authors: | Sagar, V, Wistow, G. | Deposit date: | 2017-04-12 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Chicken gamma S-Crystallin Reveals Lattice Contacts with Implications for Function in the Lens and the Evolution of the beta gamma-Crystallins. Structure, 25, 2017
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7M9T
 
 | HIV-1 Protease WT (NL4-3) in Complex with NR02-73 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | HIV-1 Protease WT (NL4-3) in Complex with NR02-73 To Be Published
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8VOE
 
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6VUZ
 
 | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT353 | Descriptor: | 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-02-16 | Release date: | 2020-06-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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7M9U
 
 | HIV-1 Protease WT (NL4-3) in Complex with NR02-79 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.911 Å) | Cite: | HIV-1 Protease WT (NL4-3) in Complex with NR02-79 To Be Published
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5IDZ
 
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5IE7
 
 | Crystal structure of a lactonase double mutant in complex with substrate b | Descriptor: | (3S,7S,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: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering Acs Catalysis, 6, 2016
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7M47
 
 | DNA Polymerase Lambda, TTP:At Mg2+ Product State Ternary Complex, 60 min | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.648 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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6VWP
 
 | Crystal structure of E. coli guanosine kinase in complex with ppGpp | Descriptor: | GUANOSINE, GUANOSINE-5',3'-TETRAPHOSPHATE, Inosine-guanosine kinase, ... | Authors: | Wang, B, Grant, R.A, Laub, M.T. | Deposit date: | 2020-02-20 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | ppGpp Coordinates Nucleotide and Amino-Acid Synthesis in E. coli During Starvation. Mol.Cell, 80, 2020
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