7T5Y
 
 | | E. coli dihydroorotate dehydrogenase bound to the inhibitor HMNQ | | Descriptor: | 3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ... | | Authors: | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | | Deposit date: | 2021-12-13 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
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7SU0
 | | Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.105 in complex with CTLA-4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Cytotoxic T-lymphocyte protein 4, ... | | Authors: | Lee, P.S, Chau, B, Strop, P. | | Deposit date: | 2021-11-15 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
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1LBG
 | | LACTOSE OPERON REPRESSOR BOUND TO 21-BASE PAIR SYMMETRIC OPERATOR DNA, ALPHA CARBONS ONLY | | Descriptor: | DNA (5'-D(*GP*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), PROTEIN (LACTOSE OPERON REPRESSOR) | | Authors: | Lewis, M, Chang, G, Horton, N.C, Kercher, M.A, Pace, H.C, Lu, P. | | Deposit date: | 1996-01-03 | | Release date: | 1996-02-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (4.8 Å) | | Cite: | Crystal structure of the lactose operon repressor and its complexes with DNA and inducer.
Science, 271, 1996
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7LZB
 | | Crystal Structure of SETD2 bound to Compound 2 | | Descriptor: | BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETD2, N-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1H-indole-2-carboxamide, ... | | Authors: | Farrow, N.A, Boriack-Sjodin, P. | | Deposit date: | 2021-03-09 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies.
Acs Med.Chem.Lett., 12, 2021
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7LZD
 | | Crystal Structure of SETD2 bound to Compound 35 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETD2, ... | | Authors: | Farrow, N.A, Boriack-Sjodin, P. | | Deposit date: | 2021-03-09 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies.
Acs Med.Chem.Lett., 12, 2021
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7LZF
 | | Crystal Structure of SETD2 bound to Compound 57 | | Descriptor: | 1,2-ETHANEDIOL, 4-fluoro-N-[(1R,3S)-3-{(3S)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1H-indole-2-carboxamide, Histone-lysine N-methyltransferase SETD2, ... | | Authors: | Farrow, N.A, Boriack-Sjodin, P. | | Deposit date: | 2021-03-09 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies.
Acs Med.Chem.Lett., 12, 2021
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1H5N
 | | DMSO REDUCTASE MODIFIED BY THE PRESENCE OF DMS AND AIR | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM(VI) ION, ... | | Authors: | Bailey, S, Adams, B, Smith, A.T, Richards, R.L, Lowe, D.J, Bray, R.C. | | Deposit date: | 2001-05-22 | | Release date: | 2002-05-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reactions of Dimethyl Sulphoxide Reductase in the Presence of Dimethylsulphide and the Structure of the Dimethylsulphide-Modified Enzyme
Biochemistry, 40, 2001
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6VO7
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8P8T
 | | Ex vivo Ym2 crystal structure | | Descriptor: | Chitinase-like protein 4, GLYCEROL | | Authors: | Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, H, Savvides, S.N, Lambrecht, B.N. | | Deposit date: | 2023-06-02 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024
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8P8Q
 | | Recombinant Ym1 crystal structure | | Descriptor: | ACETATE ION, Chitinase-like protein 3, GLYCEROL | | Authors: | Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Aegerter, H, Smole, U, Savvides, S.N, Lambrecht, B.N. | | Deposit date: | 2023-06-02 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.792 Å) | | Cite: | Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024
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8P8S
 | | Recombinant Ym2 crystal structure | | Descriptor: | 1,2-ETHANEDIOL, Chitinase-like protein 4 | | Authors: | Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, A, Savvides, S.N, Lambrecht, B.N. | | Deposit date: | 2023-06-02 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024
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6W0M
 | | Human 8-oxoguanine glycosylase crosslinked with oxoG lesion containing DNA | | Descriptor: | 2-(2-ethoxyethoxy)ethanethiol, DNA (5'-D(P*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3'), ... | | Authors: | Shigdel, U, Verdine, G. | | Deposit date: | 2020-03-02 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase.
Nat Commun, 11, 2020
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8P8R
 | | Ex vivo Ym1 crystal structure | | Descriptor: | 1,2-ETHANEDIOL, Chitinase-like protein 3 | | Authors: | Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, H, Savvides, S.N, Lambrecht, B.N. | | Deposit date: | 2023-06-02 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024
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7U1Y
 | | Structure of SPAC806.04c protein from fission yeast bound to AlF4 and Co2+ | | Descriptor: | COBALT (II) ION, Damage-control phosphatase SPAC806.04c, POTASSIUM ION, ... | | Authors: | Jacewicz, A, Sanchez, A.M, Shuman, S. | | Deposit date: | 2022-02-22 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
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7U1V
 | | Structure of SPAC806.04c protein from fission yeast covalently bound to BeF3 | | Descriptor: | Damage-control phosphatase SPAC806.04c, NICKEL (II) ION, PHOSPHATE ION, ... | | Authors: | Jacewicz, A, Sanchez, A.M, Shuman, S. | | Deposit date: | 2022-02-22 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
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7JJV
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7U1X
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8PB1
 | | Cryo-EM structure of a pre-dimerized murine IL-12 complete extracellular signaling complex (Class 1), obtained after local refinement. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 receptor subunit beta-1,Death-associated protein kinase 1, Interleukin-12 receptor subunit beta-2,Calmodulin-1, ... | | Authors: | Felix, J, Bloch, Y, Savvides, S.N. | | Deposit date: | 2023-06-08 | | Release date: | 2024-02-07 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23.
Nat.Struct.Mol.Biol., 31, 2024
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1H98
 | | New Insights into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin from Thermus thermophilus | | Descriptor: | FE3-S4 CLUSTER, FERREDOXIN, IRON/SULFUR CLUSTER | | Authors: | Macedo-Ribeiro, S, Martins, B.M, Pereira, P.J.B, Buse, G, Huber, R, Soulimane, T. | | Deposit date: | 2001-03-05 | | Release date: | 2001-11-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | New Insights Into the Thermostability of Bacterial Ferredoxins: High-Resolution Crystal Structure of the Seven-Iron Ferredoxin from Thermus Thermophilus
J.Biol.Inorg.Chem., 6, 2001
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7TQ4
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 6c | | Descriptor: | 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-01-26 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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7TQ3
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 5c | | Descriptor: | 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-01-26 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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7TQ2
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 1c | | Descriptor: | 3C-like proteinase, N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-phenylcyclopropyl]methoxy}carbonyl)-L-leucinamide | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-01-26 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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7K95
 | | Crystal structure of human CPSF30 in complex with hFip1 | | Descriptor: | Isoform 2 of Cleavage and polyadenylation specificity factor subunit 4, Pre-mRNA 3'-end-processing factor FIP1, ZINC ION | | Authors: | Hamilton, K, Tong, L. | | Deposit date: | 2020-09-28 | | Release date: | 2020-11-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular mechanism for the interaction between human CPSF30 and hFip1.
Genes Dev., 34, 2020
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6VXO
 | | NaChBac-Nav1.7VSDII chimera in nanodisc | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, NaChBac-Nav1.7VSDII chimera | | Authors: | Yan, N, Gao, S. | | Deposit date: | 2020-02-22 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Employing NaChBac for cryo-EM analysis of toxin action on voltage-gated Na+channels in nanodisc.
Proc.Natl.Acad.Sci.USA, 117, 2020
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2KIE
 | | A PH domain within OCRL bridges clathrin mediated membrane trafficking to phosphoinositide metabolis | | Descriptor: | Inositol polyphosphate 5-phosphatase OCRL-1 | | Authors: | Mao, Y, Balkin, D.M, Zoncu, R, Erdmann, K, Tomasini, L, Hu, F, Jin, M.M, Hodsdon, M.E, De Camilli, P. | | Deposit date: | 2009-05-03 | | Release date: | 2009-07-21 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | A PH domain within OCRL bridges clathrin-mediated membrane trafficking to phosphoinositide metabolism
Embo J., 28, 2009
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