5VE5
 
 | | Crystal structure of persulfide dioxygenase rhodanese fusion protein with rhodanese domain inactivating mutation (C314S) from Burkholderia phytofirmans in complex with glutathione | | Descriptor: | BpPRF, CHLORIDE ION, FE (III) ION, ... | | Authors: | Motl, N, Skiba, M.A, Smith, J.L, Banerjee, R. | | Deposit date: | 2017-04-03 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and biochemical analyses indicate that a bacterial persulfide dioxygenase-rhodanese fusion protein functions in sulfur assimilation.
J. Biol. Chem., 292, 2017
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8VHJ
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7M7C
 | | Crystal Structure of Hip1 (Rv2224c) mutant - T466A/S228DHA (dehydroalanine) | | Descriptor: | Carboxylesterase A | | Authors: | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | Deposit date: | 2021-03-27 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Inhibitors and Inactivators of Mycobacterium tuberculosis serine protease Hip1 (Rv2224c)
To Be Published
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8VOJ
 | | The Cryo-EM structure of LSD1-CoREST-HDAC1 in complex with KBTBD4 enhanced by UM171 and IP6 | | Descriptor: | (1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Xie, X, Mao, H, Liau, B, Zheng, N. | | Deposit date: | 2024-01-15 | | Release date: | 2024-12-04 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | UM171 glues asymmetric CRL3-HDAC1/2 assembly to degrade CoREST corepressors.
Nature, 639, 2025
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7M56
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-((3-(3-aminophenethyl)phenoxy)methyl)quinolin-2-amine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2021-03-22 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.957 Å) | | Cite: | Inhibition of bacterial nitric oxide synthase as an antimicrobial tool in fighting some antibiotic-resistant pathogens
To be published
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6W13
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8VHI
 | | NPM2-H1.8 isolated from Xenopus egg extract | | Descriptor: | Nucleoplasmin isoform X1 | | Authors: | Arimura, Y, Funabiki, H. | | Deposit date: | 2024-01-02 | | Release date: | 2024-12-11 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | MagIC-Cryo-EM, structural determination on magnetic beads for scarce macromolecules in heterogeneous samples.
Elife, 13, 2025
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5IPA
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with (E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one at 1.78A resolution | | Descriptor: | (2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one, TetR-family transcriptional regulatory repressor protein | | Authors: | Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L. | | Deposit date: | 2016-03-09 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
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7M9L
 | | HIV-1 Protease WT (NL4-3) in Complex with LR4-15 | | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2021-03-31 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | HIV-1 Protease WT (NL4-3) in Complex with LR4-15
To Be Published
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7M5W
 | | Crystal structure of the HMG-C1 domain of human capicua bound to DNA | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*TP*TP*TP*TP*CP*AP*TP*TP*CP*AP*TP*AP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*TP*AP*TP*GP*AP*AP*TP*GP*AP*AP*AP*AP*AP*GP*C)-3'), ... | | Authors: | Webb, J.P, Liew, J.J.M, Gnann, A.D, Dowling, D.P. | | Deposit date: | 2021-03-25 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Molecular basis of DNA recognition by the HMG-box-C1 module of Capicua
Biorxiv, 2022
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7M5X
 | | Human ATP13A2 in the outward-facing E2 state bound to spermine and beryllium fluoride | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Lee, K.P.K. | | Deposit date: | 2021-03-25 | | Release date: | 2022-03-30 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural mechanisms for gating and ion selectivity of the human polyamine transporter ATP13A2.
Mol.Cell, 81, 2021
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6W7X
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8VXT
 | | Cryo-EM structure of mammalian Thorase filament, 3-layer refinement | | Descriptor: | Outer mitochondrial transmembrane helix translocase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Dar, M.A, Louder, R.K, Umanah, G.K, Dawson, T.M, Dawson, V.L. | | Deposit date: | 2024-02-06 | | Release date: | 2024-12-11 | | Method: | ELECTRON MICROSCOPY (4.25 Å) | | Cite: | Cryo-EM Structure of AAA + ATPase Thorase Reveals Novel Helical Filament Formation.
Biorxiv, 2024
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7M5Y
 | | human ATP13A2 in the outward-facing E2 state bound to spermine and magnesium fluoride | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Lee, K.P.K. | | Deposit date: | 2021-03-25 | | Release date: | 2022-03-30 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural mechanisms for gating and ion selectivity of the human polyamine transporter ATP13A2.
Mol.Cell, 81, 2021
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8VCL
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7MAD
 | | HIV-1 Protease (I84V) in Complex with PD5 (LR4-22) | | Descriptor: | Protease, diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2021-03-31 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | HIV-1 Protease (I84V) in Complex with PD5 (LR4-22)
To Be Published
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8VBC
 | | Kinetic intermediate states of HIV-1 RT DNA synthesis captured by cryo-EM | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (38-MER), HIV-1 reverse transcriptase P51 subunit, ... | | Authors: | Vergara, S, Zhou, X, Santiago, U, Conway, J.F, Sluis-Cremer, N, Calero, G. | | Deposit date: | 2023-12-12 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-18 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis of deoxynucleotide addition by HIV-1 RT during reverse transcription.
Nat Commun, 15, 2024
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5I5P
 | | Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157) in complex with co-purified 4-hydroxybenzoate | | Descriptor: | BROMIDE ION, DI(HYDROXYETHYL)ETHER, P-HYDROXYBENZOIC ACID, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Hogle, S.L, Dupont, C.L, Almo, S.C. | | Deposit date: | 2016-02-15 | | Release date: | 2017-01-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157) in complex with co-purified 4-hydroxybenzoate
To Be Published
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5I62
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7M8H
 | | Structure of Memo1 C244S metal binding site mutant at 1.75A | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Boniecki, M.T, Uhlemann, E.E, Dmitriev, O.Y. | | Deposit date: | 2021-03-29 | | Release date: | 2022-04-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | MEMO1 binds iron and modulates iron homeostasis in cancer cells.
Elife, 13, 2024
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8VHK
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6W1E
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7M5V
 | | human ATP13A2 in the AMPPNP-bound occluded state | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 1-DODECANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lee, K.P.K. | | Deposit date: | 2021-03-24 | | Release date: | 2022-03-30 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural mechanisms for gating and ion selectivity of the human polyamine transporter ATP13A2.
Mol.Cell, 81, 2021
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5VD3
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8VIY
 | | 15-Lipoxygenase-2 V427L | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CALCIUM ION, FE (II) ION, ... | | Authors: | Gilbert, N.C, Offenbacher, A.R, Ohler, A.R.L. | | Deposit date: | 2024-01-05 | | Release date: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Identification of the Thermal Activation Network in Human 15-Lipoxygenase-2: Divergence from Plant Orthologs and Its Relationship to Hydrogen Tunneling Activation Barriers.
Acs Catalysis, 14, 2024
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