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6Y9C
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BU of 6y9c by Molmil
The structure of a quaternary ammonium Rieske monooxygenase reveals insights into carnitine oxidation by gut microbiota and inter-subunit electron transfer
Descriptor: CARNITINE, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ...
Authors:Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y.
Deposit date:2020-03-06
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterisation of an unusual cysteine pair in the Rieske carnitine monooxygenase CntA catalytic site.
Febs J., 2023
7QQN
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BU of 7qqn by Molmil
The PDZ domain of SNTG1 complexed with the acetylated PDZ-binding motif of TRPV3
Descriptor: CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2022-01-10
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7QQM
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BU of 7qqm by Molmil
The PDZ domain of LRRC7 fused with ANXA2
Descriptor: CALCIUM ION, GLYCEROL, Leucine-rich repeat-containing protein 7,Annexin A2
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2022-01-10
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
6XZ8
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BU of 6xz8 by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide
Descriptor: Cytochrome P450 11B2, mitochondrial, HEME C, ...
Authors:Kuglstatter, A, Joseph, C, Benz, J.
Deposit date:2020-02-03
Release date:2020-06-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
6XUG
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BU of 6xug by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A2410 (compound 53 in publication) in the closed form in crystal form IV
Descriptor: 4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole, 5'-nucleotidase, CALCIUM ION, ...
Authors:Strater, N.
Deposit date:2020-01-19
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6XUQ
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BU of 6xuq by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A1618 (compound 1b in publication) in the closed state in crystal form III
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2020-01-20
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
5YKU
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BU of 5yku by Molmil
The crystal structure of Macrobrachium rosenbergii nodavirus P-domain with Zn ions
Descriptor: Capsid protein, ZINC ION
Authors:Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:The atomic structures of shrimp nodaviruses reveal new dimeric spike structures and particle polymorphism.
Commun Biol, 2, 2019
5YL1
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BU of 5yl1 by Molmil
T=1 subviral particle of Penaeus vannamei nodavirus capsid protein deletion mutant (delta 1-37 & 251-368)
Descriptor: CALCIUM ION, Capsid protein
Authors:Chen, N.C, Yoshimura, M, Lin, C.C, Guan, H.H, Chuankhayan, P, Chen, C.J.
Deposit date:2017-10-16
Release date:2018-12-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:The atomic structures of shrimp nodaviruses reveal new dimeric spike structures and particle polymorphism.
Commun Biol, 2, 2019
3EYS
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BU of 3eys by Molmil
PFA1 Fab fragment complexed with pyro-Glu3-A-Beta (3-8)
Descriptor: GLYCEROL, If kappa light chain, PFA1 Fab Heavy Chain, ...
Authors:Gardberg, A.S, Dealwis, C.G.
Deposit date:2008-10-21
Release date:2009-05-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of Abeta-related peptide--monoclonal antibody complexes.
Biochemistry, 48, 2009
6X9A
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BU of 6x9a by Molmil
Structure of proline utilization A with trans-4-hydroxy-D-proline bound in the L-glutamate-gamma-semialdehyde dehydrogenase active site
Descriptor: (4S)-4-hydroxy-D-proline, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Tanner, J.J, Campbell, A.C.
Deposit date:2020-06-02
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structural analysis of prolines and hydroxyprolines binding to the l-glutamate-gamma-semialdehyde dehydrogenase active site of bifunctional proline utilization A.
Arch.Biochem.Biophys., 698, 2020
6XYE
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BU of 6xye by Molmil
Cryo-EM structure of the prefusion state of canine distemper virus fusion protein ectodomain
Descriptor: Fusion glycoprotein F1, Fusion glycoprotein F2
Authors:Kalbermatter, D, Fotiadis, D.
Deposit date:2020-01-30
Release date:2020-07-22
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM structure of the prefusion state of canine distemper virus fusion protein ectodomain.
J Struct Biol X, 4, 2020
6XQE
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BU of 6xqe by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with sarecycline, UAA-mRNA, and deacylated P-site tRNA at 3.00A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Batool, Z, Lomakin, I.B, Bunick, C.G, Polikanov, Y.S.
Deposit date:2020-07-09
Release date:2020-08-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Sarecycline interferes with tRNA accommodation and tethers mRNA to the 70S ribosome.
Proc.Natl.Acad.Sci.USA, 117, 2020
6XUF
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BU of 6xuf by Molmil
HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21
Descriptor: 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION
Authors:Marsh, M.E, Scott, D.E, Hyvonen, M.E.
Deposit date:2020-01-19
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.241 Å)
Cite:Optimising crystallographic systems for structure-guided drug discovery
To be published
6XWD
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BU of 6xwd by Molmil
14-3-3 sigma bound to canonical mono-phosphorylated aminopeptidase N (APN, CD13) binding motif
Descriptor: 14-3-3 protein sigma, Amino peptidase N 38-46, CALCIUM ION, ...
Authors:Kiehstaller, S, Hennig, S.
Deposit date:2020-01-23
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.60000193 Å)
Cite:MMP activation-associated aminopeptidase N reveals a bivalent 14-3-3 binding motif.
J.Biol.Chem., 295, 2020
6XXC
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BU of 6xxc by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 4
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Estrogen Related Receptor gamma phosphopeptide, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-01-27
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6HC2
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BU of 6hc2 by Molmil
Crystal structure of NuMA/LGN hetero-hexamers
Descriptor: G-protein-signaling modulator 2, Nuclear mitotic apparatus protein 1
Authors:Pasqualato, S, Culurgioni, S, Foadi, J, Alfieri, A, Mapelli, M.
Deposit date:2018-08-13
Release date:2019-05-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4.31 Å)
Cite:Hexameric NuMA:LGN structures promote multivalent interactions required for planar epithelial divisions.
Nat Commun, 10, 2019
7EMY
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BU of 7emy by Molmil
Pyochelin synthetase, a dimeric nonribosomal peptide synthetase elongation module
Descriptor: 2-HYDROXYBENZOIC ACID, 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, ...
Authors:Wang, J.L, Wang, Z.J.
Deposit date:2021-04-15
Release date:2021-12-22
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Catalytic trajectory of a dimeric nonribosomal peptide synthetase subunit with an inserted epimerase domain.
Nat Commun, 13, 2022
3KEG
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BU of 3keg by Molmil
X-ray Crystallographic Structure of a Y131F mutant of Pseudomonas Aeruginosa Azoreductase in complex with Methyl RED
Descriptor: 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase 1, ...
Authors:Wang, C.-J, Laurieri, N, Abuhammad, A, Lowe, E, Westwood, I, Ryan, A, Sim, E.
Deposit date:2009-10-26
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Role of tyrosine 131 in the active site of paAzoR1, an azoreductase with specificity for the inflammatory bowel disease prodrug balsalazide
Acta Crystallogr.,Sect.F, 66, 2010
5CBA
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BU of 5cba by Molmil
3B4 in complex with CXCL13 - 3B4-CXCL13
Descriptor: 1,2-ETHANEDIOL, 3b4 heavy chain, 3b4 light chain, ...
Authors:Tu, C, Bard, J, Mosyak, L.
Deposit date:2015-06-30
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Combination of Structural and Empirical Analyses Delineates the Key Contacts Mediating Stability and Affinity Increases in an Optimized Biotherapeutic Single-chain Fv (scFv).
J. Biol. Chem., 291, 2016
7EN1
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BU of 7en1 by Molmil
Pyochelin synthetase, a dimeric nonribosomal peptide synthetase elongation module-after-condensation
Descriptor: (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, 2-HYDROXYBENZOIC ACID, 4'-PHOSPHOPANTETHEINE, ...
Authors:Wang, J.L, Wang, Z.J.
Deposit date:2021-04-15
Release date:2021-12-22
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Catalytic trajectory of a dimeric nonribosomal peptide synthetase subunit with an inserted epimerase domain.
Nat Commun, 13, 2022
7EN2
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BU of 7en2 by Molmil
Pyochelin synthetase, a dimeric nonribosomal peptide synthetase elongation module-after-condensation, condensation
Descriptor: 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, Dihydroaeruginoic acid synthetase
Authors:Wang, J.L, Wang, Z.J.
Deposit date:2021-04-15
Release date:2021-12-22
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Catalytic trajectory of a dimeric nonribosomal peptide synthetase subunit with an inserted epimerase domain.
Nat Commun, 13, 2022
6XUT
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BU of 6xut by Molmil
Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, ligand-free form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Cerutti, G, Savino, C, Montemiglio, L.C, Sciara, G, Vallone, B.
Deposit date:2020-01-21
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose.
Biotechnol Biofuels, 14, 2021
6XWK
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BU of 6xwk by Molmil
Crystal structure of Phormidium rubidum phycocyanin
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IMIDAZOLE, ...
Authors:Sonani, R.R, Roszak, A.W, Cogdell, R.J, Madamwar, D, Liu, H, Gross, M.L, Blankenship, R.E.
Deposit date:2020-01-23
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Revisiting high-resolution crystal structure of Phormidium rubidum phycocyanin.
Photosyn. Res., 144, 2020
6YEV
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BU of 6yev by Molmil
Crystal structure of MsrA C206 and Trx C35S complex from Escherichia coli
Descriptor: Peptide methionine sulfoxide reductase MsrA, SODIUM ION, Thioredoxin 1
Authors:Napolitano, S, Zyla, D, Glockshuber, R.
Deposit date:2020-03-25
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structure of a complex between the single-cysteine mutant MsrA C206 and Trx C35S from Escherichia coli
To Be Published
6HRL
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BU of 6hrl by Molmil
Crystal structure of the Kelch domain of human KLHL17
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 17, ...
Authors:Chen, Z, Williams, E, Sorrell, F.J, Newman, J.A, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, F, Edwards, C.H, Bountra, C, Bullock, A.N.
Deposit date:2018-09-27
Release date:2018-10-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the Kelch domain of human KLHL17
To Be Published

222415

건을2024-07-10부터공개중

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