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8VCI
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BU of 8vci by Molmil
SARS-CoV-2 Frameshift Stimulatory Element with Upstream Multibranch Loop
Descriptor: Frameshift Stimulatory Element with Upstream Multi-branch Loop
Authors:Peterson, J.M, Becker, S.T, O'Leary, C.A, Juneja, P, Yang, Y, Moss, W.N.
Deposit date:2023-12-14
Release date:2024-01-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structure of the SARS-CoV-2 Frameshift Stimulatory Element with an Upstream Multibranch Loop.
Biochemistry, 63, 2024
9B22
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BU of 9b22 by Molmil
Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (ADP Ribose and AMP bound)
Descriptor: ADENOSINE MONOPHOSPHATE, ADP-ribose pyrophosphatase, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-03-14
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (ADP Ribose and AMP bound)
To be published
8VSI
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BU of 8vsi by Molmil
Mechanistic Insights Revealed by YbtPQ in the Occluded State
Descriptor: ABC transporter ATP-binding protein, ADP ORTHOVANADATE, MAGNESIUM ION, ...
Authors:Hu, W, Parkinson, C, Zheng, H.
Deposit date:2024-01-24
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Mechanistic Insights Revealed by YbtPQ in the Occluded State.
Biomolecules, 14, 2024
8YJJ
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BU of 8yjj by Molmil
Crystal structure of xylanase from Trichoderma longibrachiatum
Descriptor: Endo-1,4-beta-xylanase
Authors:Nam, K.H.
Deposit date:2024-03-02
Release date:2024-03-13
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Temperature-dependent structural changes in xylanase II from Trichoderma longibrachiatum.
Carbohydr.Res., 541, 2024
8Z18
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BU of 8z18 by Molmil
The tetramer complex of DSR2 and tube-forming domain of phage tail tube protein
Descriptor: Bacillus phage SPR Tube protein, SIR2-like domain-containing protein
Authors:Zheng, J, Yang, X.
Deposit date:2024-04-10
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Structural insights into autoinhibition and activation of defense-associated sirtuin protein.
Int.J.Biol.Macromol., 277, 2024
8XUV
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BU of 8xuv by Molmil
Cryo-EM structure of tomato NRC2 filament
Descriptor: ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, NRC2
Authors:Sun, Y, Ma, S.C, Chai, J.J.
Deposit date:2024-01-14
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Oligomerization-mediated autoinhibition and cofactor binding of a plant NLR.
Nature, 2024
8W6B
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BU of 8w6b by Molmil
crystal structure of TAX1BP1 SKICH domain in complex with RB1CC1 coiled-coil domain
Descriptor: RB1-inducible coiled-coil protein 1, Tax1-binding protein 1
Authors:Zhang, M.F, Pan, L.F.
Deposit date:2023-08-28
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Mechanistic insights into the interactions of TAX1BP1 with RB1CC1 and mammalian ATG8 family proteins.
Proc.Natl.Acad.Sci.USA, 121, 2024
9CLY
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BU of 9cly by Molmil
Crystal structure of the 3-ketoacyl-(acyl-carrier-protein) reductase, CylG, from Streptococcus agalactiae 2603V/R
Descriptor: CylG protein, IMIDAZOLE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2024-07-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of the 3-ketoacyl-(acyl-carrier-protein) reductase, CylG, from Streptococcus agalactiae 2603V/R
To be published
8VG8
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BU of 8vg8 by Molmil
Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT) Bound to 4CPPC
Descriptor: 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, D-dopachrome decarboxylase
Authors:Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
Deposit date:2023-12-23
Release date:2024-05-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
9B1Z
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BU of 9b1z by Molmil
Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (Apo)
Descriptor: ADP-ribose pyrophosphatase, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-03-14
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (Apo)
To be published
8WJ1
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BU of 8wj1 by Molmil
cryo-EM structure of human haemoglobin in oxy form
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ...
Authors:Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H.
Deposit date:2023-09-25
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM.
Nat Commun, 15, 2024
8X64
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BU of 8x64 by Molmil
CryoEM structure of the histamine H1 receptor-BRIL/Anti BRIL Fab complex with desloratadine
Descriptor: Histamine H1 receptor,Soluble cytochrome b562, desloratadine
Authors:Wang, D.D, Guo, Q.
Deposit date:2023-11-20
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular mechanism of antihistamines recognition and regulation of the histamine H 1 receptor.
Nat Commun, 15, 2024
9B21
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BU of 9b21 by Molmil
Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (ADP Ribose bound, Orthorhombic P form)
Descriptor: ADP-ribose pyrophosphatase, MAGNESIUM ION, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-03-14
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (ADP Ribose bound, Orthorhombic P form)
To be published
9AUK
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BU of 9auk by Molmil
Structure of SARS-CoV-2 Mpro mutant (A173V) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
9BRV
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BU of 9brv by Molmil
SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 5
Descriptor: CHLORIDE ION, N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)thiourea, Papain-like protease nsp3, ...
Authors:Amporndanai, K, Zhao, B, Fesik, S.W.
Deposit date:2024-05-11
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PLpro)
Acs Med.Chem.Lett., 2024
8XWK
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BU of 8xwk by Molmil
Crystal structure of L-2-keto-3-deoxyfuconate 4-dehydrogenase from Herbaspillum huttiense (apo form)
Descriptor: DI(HYDROXYETHYL)ETHER, SDR family oxidoreductase
Authors:Akagashi, M, Watanabe, S.
Deposit date:2024-01-16
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Crystal structure of L-2-keto-3-deoxyfuconate 4-dehydrogenase reveals a unique binding mode as a alpha-furanosyl hemiketal of substrates.
Sci Rep, 14, 2024
8XTH
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BU of 8xth by Molmil
Thanatin PM15Y in LPS
Descriptor: Thanatin
Authors:Swaleeha, A, Bhattacharrya, S.
Deposit date:2024-01-10
Release date:2024-03-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Thanatin VF16QK in LPS
To Be Published
9EUU
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BU of 9euu by Molmil
Structure of recombinant alpha-synuclein fibrils 1B capable of seeding GCIs in vivo
Descriptor: Alpha-synuclein
Authors:Burger, D, Kashyrina, M, Lewis, A, De Nuccio, F, Mohammed, I, de La Seigliere, H, van den Heuvel, L, Feuillie, C, Verchere, J, Berbon, M, Arotcarena, M, Retailleau, A, Bezard, E, Laferriere, F, Loquet, A, Bousset, L, Baron, T, Lofrumento, D.D, De Giorgi, F, Stahlberg, H, Ichas, F.
Deposit date:2024-03-28
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (1.93 Å)
Cite:Multiple System Atrophy: Insights from aSyn Fibril Structure
To Be Published
8XRG
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BU of 8xrg by Molmil
The crystal structure of AsfvTopII ATPase domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2, MAGNESIUM ION, ...
Authors:Yang, J, Gan, J.H.
Deposit date:2024-01-07
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The crystal structure of AsfvTopII ATPase domain in complex with ADP
Nat Commun, 2024
8X6R
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BU of 8x6r by Molmil
KRasG12C in complex with inhibitor
Descriptor: 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Amano, Y, Tateishi, Y.
Deposit date:2023-11-21
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors.
Bioorg.Med.Chem., 98, 2023
8VRD
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BU of 8vrd by Molmil
Rigid body fitted model for free recombinant gamma tubulin ring complex.
Descriptor: Actin, cytoplasmic 1, Gamma-tubulin complex component 3, ...
Authors:Aher, A, Urnavicius, L, Kapoor, T.M.
Deposit date:2024-01-21
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Rigid body fitted model for free recombinant gamma tubulin ring complex.
To be published
8WTZ
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BU of 8wtz by Molmil
potassium outward rectifier channel SKOR
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium channel SKOR
Authors:Gao, X, Sun, T, Lu, Y, Jia, Y, Xu, X, Zhang, Y, Fu, P, Yang, G.
Deposit date:2023-10-19
Release date:2024-04-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural changes in the conversion of an Arabidopsis outward-rectifying K + channel into an inward-rectifying channel.
Plant Commun., 5, 2024
8WIA
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BU of 8wia by Molmil
Crystal structure of E. coli ThrS catalytic domain mutant G463S
Descriptor: Threonine--tRNA ligase, ZINC ION
Authors:Qiao, H, Wang, Z, Wang, J, Fang, P.
Deposit date:2023-09-24
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024
8WY7
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BU of 8wy7 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 22
Descriptor: 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 4
Authors:Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X.
Deposit date:2023-10-30
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
9ER3
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BU of 9er3 by Molmil
Cyanide dihydratase from Bacillus pumilus C1 E155R variant with altered helical twist.
Descriptor: Cyanide dihydratase
Authors:Dlamini, L.S, Woodward, J.D, Sewell, B.T.
Deposit date:2024-03-22
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cyanide dihydratase from Bacillus pumilus C1 E155R variant with altered helical twist
To Be Published

224004

数据于2024-08-21公开中

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