6B4X
 
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase, F39Y Mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, ... | | Authors: | Taylor, A.B. | | Deposit date: | 2017-09-27 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
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6B53
 | | Schistosoma haematobium (Blood Fluke) Sulfotransferase, S166T Mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase | | Authors: | Taylor, A.B. | | Deposit date: | 2017-09-27 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
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6BZ4
 | | Human IgG1 lacking complement-dependent cytotoxicity: hu3S193 Fc mutant K322A | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Farrugia, W, Burvenich, I.G.J, Scott, A.M, Ramsland, P.A. | | Deposit date: | 2017-12-22 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Global conformational changes in IgG-Fc upon mutation of the FcRn-binding site are not associated with altered antibody-dependent effector functions.
Biochem. J., 475, 2018
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7SJB
 | | Crystal structure of dehaloperoxidase B in complex with alpha-terpinene | | Descriptor: | 1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene, Dehaloperoxidase B, GLYCEROL, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D. | | Deposit date: | 2021-10-17 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.718 Å) | | Cite: | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
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7SJE
 | | Crystal structure of dehaloperoxidase B in complex with p-cymene | | Descriptor: | 1-methyl-4-(1-methylethyl)benzene, Dehaloperoxidase B, OXYGEN MOLECULE, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D. | | Deposit date: | 2021-10-17 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
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7SJD
 | | Crystal structure of dehaloperoxidase B in complex with terpinolene | | Descriptor: | 1-methyl-4-(propan-2-ylidene)cyclohex-1-ene, Dehaloperoxidase B, GLYCEROL, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Yun, D, Malewschik, T. | | Deposit date: | 2021-10-17 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.703 Å) | | Cite: | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
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6BBS
 | | Joint X-ray/neutron structure of human carbonic anhydrase II in complex with brinzolamide | | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION | | Authors: | Kovalevsky, A, Aggarwal, M, McKenna, R. | | Deposit date: | 2017-10-19 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-13 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
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5V4E
 | | Engineered human IgG Fc domain glyco801 (Fc801) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, W, Marshall, N, Zhang, Y.J. | | Deposit date: | 2017-03-09 | | Release date: | 2017-06-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.216 Å) | | Cite: | IgG Fc domains that bind C1q but not effector Fc gamma receptors delineate the importance of complement-mediated effector functions.
Nat. Immunol., 18, 2017
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6C92
 | | The structure of MppP soaked with the product 2-ketoarginine | | Descriptor: | (4S)-5-carbamimidamido-4-hydroxy-2-oxopentanoic acid, (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-arginine, PLP-Dependent L-Arginine Hydroxylase MppP | | Authors: | Han, L, Silvaggi, N.R. | | Deposit date: | 2018-01-25 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.834 Å) | | Cite: | Streptomyces wadayamensis MppP is a PLP-Dependent Oxidase, Not an Oxygenase.
Biochemistry, 57, 2018
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6C9B
 | | The structure of MppP soaked with the products 4HKA and 2KA | | Descriptor: | (4S)-5-carbamimidamido-4-hydroxy-2-oxopentanoic acid, CHLORIDE ION, PLP-Dependent L-Arginine Hydroxylase MppP | | Authors: | Han, L, Silvaggi, N.R. | | Deposit date: | 2018-01-26 | | Release date: | 2018-04-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.689 Å) | | Cite: | Streptomyces wadayamensis MppP is a PLP-Dependent Oxidase, Not an Oxygenase.
Biochemistry, 57, 2018
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5WA2
 | | Crystal structure of Toxoplasma gondii SAG3 (SRS57) | | Descriptor: | GLYCEROL, Surface antigen | | Authors: | Parker, M.L, Boulanger, M.J. | | Deposit date: | 2017-06-24 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | A Toxoplasma lectin-specific activity for sulfated proteoglycans thought to promote infection competency is not dependent on TgSRS57 (TgSAG3)
To be published
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6CQK
 | | Crystal Structure of mitochondrial single-stranded DNA binding proteins from S. cerevisiae, Rim1 (Form1) | | Descriptor: | SsDNA-binding protein essential for mitochondrial genome maintenance | | Authors: | Singh, S.P, Kukshal, V, Bona, P.D, Lytle, A.K, Edwin, A, Galletto, R. | | Deposit date: | 2018-03-15 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The mitochondrial single-stranded DNA binding protein from S. cerevisiae, Rim1, does not form stable homo-tetramers and binds DNA as a dimer of dimers.
Nucleic Acids Res., 46, 2018
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7T9C
 | | Crystal structure of dehaloperoxidase B in complex with thymol | | Descriptor: | 5-METHYL-2-(1-METHYLETHYL)PHENOL, Dehaloperoxidase B, GLYCEROL, ... | | Authors: | de Serrano, V.S, Ghiladi, R.A, Malewschik, T, Yun, D. | | Deposit date: | 2021-12-18 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
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7UJD
 | | PSMD2 Structure bound to MC1 and Fab8/14 | | Descriptor: | 26S proteasome non-ATPase regulatory subunit 2, ACY-PHE-PRO-ASP-VAL-SAR-LEU-HIS-ARG-TYR-TRP-GLY-TRP-ASP-CYS-GLY-NH2, Fab 14 HC CDRs, ... | | Authors: | Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C. | | Deposit date: | 2022-03-30 | | Release date: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Targeted degradation via direct 26S proteasome recruitment.
Nat.Chem.Biol., 19, 2023
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7UIH
 | | PSMD2 Structure | | Descriptor: | 26S proteasome non-ATPase regulatory subunit 2, Fab 14 HC CDRs, Fab 14 LC CDRs, ... | | Authors: | Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C. | | Deposit date: | 2022-03-29 | | Release date: | 2023-01-11 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Targeted degradation via direct 26S proteasome recruitment.
Nat.Chem.Biol., 19, 2023
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8RDX
 | | PGGtase I in complex with probe BAY-6092 | | Descriptor: | (5~{R})-5-(2-methoxyphenyl)-9-[(2~{R})-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]-3,9-diazaspiro[5.5]undecan-2-one, CHLORIDE ION, DIPHOSPHATE, ... | | Authors: | Steuber, H. | | Deposit date: | 2023-12-08 | | Release date: | 2024-02-14 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (3.67 Å) | | Cite: | Discovery of YAP1/TAZ pathway inhibitors through phenotypic screening with potent anti-tumor activity via blockade of Rho-GTPase signaling.
Cell Chem Biol, 31, 2024
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7LVT
 | | Structure of full-length GluK1 with L-Glu | | Descriptor: | Isoform Glur5-2 of Glutamate receptor ionotropic, kainate 1 | | Authors: | Meyerson, J.R, Selvakumar, P. | | Deposit date: | 2021-02-26 | | Release date: | 2021-11-03 | | Last modified: | 2021-11-10 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural and compositional diversity in the kainate receptor family.
Cell Rep, 37, 2021
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7NCJ
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7NCG
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7NCI
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7NCH
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7NCK
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7NCA
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8ORV
 | | Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1203 | | Descriptor: | 9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, MPXVgp165 | | Authors: | Duchoslav, V, Klima, M, Boura, E. | | Deposit date: | 2023-04-17 | | Release date: | 2023-12-20 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024
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8P44
 | | Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1202D | | Descriptor: | 9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, MPXVgp165 | | Authors: | Duchoslav, V, Klima, M, Boura, E. | | Deposit date: | 2023-05-19 | | Release date: | 2023-12-20 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024
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