6GRP
 
 | | Crystal Structure Of Human Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P) | | Descriptor: | 3,5,6-trichloro-2-pyridinol, SODIUM ION, Transthyretin | | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | Deposit date: | 2018-06-12 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
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8T08
 | | Preholo-Proteasome from Pre1-1 Pre4-1 Double Mutant | | Descriptor: | Proteasome assembly chaperone 2, Proteasome chaperone 1, Proteasome maturation factor UMP1, ... | | Authors: | Walsh Jr, R.M, Rawson, S, Schnell, H, Velez, B, Hanna, J. | | Deposit date: | 2023-05-31 | | Release date: | 2023-09-06 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of the preholoproteasome reveals late steps in proteasome core particle biogenesis.
Nat.Struct.Mol.Biol., 30, 2023
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8CAO
 | | Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with CA24 | | Descriptor: | 1,2-ETHANEDIOL, 8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Reis, J, Mattevi, A. | | Deposit date: | 2023-01-24 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
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8CAK
 | | Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41 | | Descriptor: | 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, DIMETHYL SULFOXIDE, ... | | Authors: | Reis, J, Mattevi, A. | | Deposit date: | 2023-01-24 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
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7PRK
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6GOO
 | | Crystal Structure Of Sea Bream Transthyretin in complex with Perfluorooctanoic acid (PFOA). Crystallized in AmSO4 | | Descriptor: | Transthyretin, pentadecafluorooctanoic acid | | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | Deposit date: | 2018-06-01 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
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5IQ0
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3QMB
 | | Structural Basis of Selective Binding of Nonmethylated CpG Islands by the CXXC Domain of CFP1 | | Descriptor: | 5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3', CALCIUM ION, CpG-binding protein, ... | | Authors: | Lam, R, Xu, C, Bian, C.B, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-02-04 | | Release date: | 2011-02-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | The structural basis for selective binding of non-methylated CpG islands by the CFP1 CXXC domain.
Nat Commun, 2, 2011
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8SMS
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase, FabB, and cerulenin crosslinker-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide | | Authors: | Jiang, Z, Chen, A, Chen, J, Sekhon, A, Louie, G.V, Noel, J.P, La Clair, J.J, Burkart, M.D. | | Deposit date: | 2023-04-26 | | Release date: | 2023-09-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Masked cerulenin enables a dual-site selective protein crosslink.
Chem Sci, 14, 2023
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7POA
 | | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase.
Acs Sustain Chem Eng, 11, 2023
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7POB
 | | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | | Descriptor: | 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION | | Authors: | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase.
Acs Sustain Chem Eng, 11, 2023
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7POC
 | | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | | Descriptor: | 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase.
Acs Sustain Chem Eng, 11, 2023
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5IRI
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7PTF
 | | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with novobiocin | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA gyrase subunit B, ... | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-27 | | Release date: | 2022-10-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7PBU
 | | RuvAB branch migration motor complexed to the Holliday junction - RuvA-HJ core [t2 dataset] | | Descriptor: | Holliday junction, Holliday junction ATP-dependent DNA helicase RuvA | | Authors: | Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C. | | Deposit date: | 2021-08-02 | | Release date: | 2022-09-14 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Nature, 609, 2022
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5I1W
 | | Crystal structure of CrmK, a flavoenzyme involved in the shunt product recycling mechanism in caerulomycin biosynthesis | | Descriptor: | 4-hydroxy[2,2'-bipyridine]-6-carbaldehyde, 6-(hydroxymethyl)[2,2'-bipyridin]-4-ol, CrmK, ... | | Authors: | Picard, M.-E, Barma, J, Shi, R. | | Deposit date: | 2016-02-07 | | Release date: | 2017-02-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Biochemical and structural insights into flavoenzyme CrmK reveals a shunt product recycling mechanism in caerulomycin biosynthesis
to be published
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6GQM
 | | Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229 | | Descriptor: | CHLORIDE ION, Mast/stem cell growth factor receptor Kit, ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | | Deposit date: | 2018-06-07 | | Release date: | 2018-09-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
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7PBT
 | | RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s1 [t1 dataset] | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvA, Holliday junction ATP-dependent DNA helicase RuvB, ... | | Authors: | Wald, J, Fahrenkamp, D, Goessweiner-Mohr, N, Marlovits, T.C. | | Deposit date: | 2021-08-02 | | Release date: | 2022-09-14 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Nature, 609, 2022
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7PTG
 | | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL2888 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-27 | | Release date: | 2022-10-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7FC3
 | | structure of NL63 receptor-binding domain complexed with horse ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | | Authors: | Wang, X.Q, Ge, J.W, Lan, J. | | Deposit date: | 2021-07-13 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2.
Structure, 30, 2022
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8CJY
 | | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant S357T | | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | | Authors: | Brocks, C, Duan, J, Hofmann, E, Happe, T. | | Deposit date: | 2023-02-13 | | Release date: | 2023-10-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Dynamic Water Channel Affects O 2 Stability in [FeFe]-Hydrogenases.
Chemsuschem, 17, 2024
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2JK0
 | | Structural and functional insights into Erwinia carotovora L- asparaginase | | Descriptor: | ASPARTIC ACID, L-ASPARAGINASE | | Authors: | Papageorgiou, A.C, Posypanova, G.A, Andersson, C.S, Sokolov, N.N, Krasotkina, J. | | Deposit date: | 2008-05-23 | | Release date: | 2008-08-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Functional Insights Into Erwinia Carotovora L-Asparaginase.
FEBS J., 275, 2008
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5XAI
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8SSF
 | | Minimal protein-only/RNA-free Ribonuclease P from Hydrogenobacter thermophilus | | Descriptor: | RNA-free ribonuclease P, SULFATE ION | | Authors: | Mendoza, J, Mallik, L, Wilhelm, C.A, Koutmos, M. | | Deposit date: | 2023-05-08 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Bacterial RNA-free RNase P: Structural and functional characterization of multiple oligomeric forms of a minimal protein-only ribonuclease P.
J.Biol.Chem., 299, 2023
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7PLR
 | | Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound Baloxavir | | Descriptor: | Baloxavir acid, FORMIC ACID, GLYCEROL, ... | | Authors: | Feracci, M, Hernandez, S, Vincentelli, R, Ferron, F, Reguera, J, Canard, B, Alvarez, K. | | Deposit date: | 2021-09-01 | | Release date: | 2022-09-14 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Biophysical and structural study of La Crosse virus endonuclease inhibition for the development of new antiviral options.
Iucrj, 11, 2024
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