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8SWH
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BU of 8swh by Molmil
Local refinement of SARS-CoV-2 (HP-GSAS-Mut7) spike NTD in complex with TXG-0078 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TXG-0078 Fab Heavy chain, ...
著者Bangaru, B, Ward, A.
登録日2023-05-18
公開日2024-05-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Deep repertoire mining uncovers ultra-broad coronavirus neutralizing antibodies targeting multiple spike epitopes.
Cell Rep, 43, 2024
8SWG
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BU of 8swg by Molmil
RNA duplex bound with GpppA dinucleotide ligand
分子名称: GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GA3))-3')
著者Zhang, W, Dantsu, Y.
登録日2023-05-18
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
8SWF
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BU of 8swf by Molmil
Cryo-EM structure of NLRP3 open octamer
分子名称: NACHT, LRR and PYD domains-containing protein 3
著者Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S.
登録日2023-05-18
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Cryo-EM structures of NLRP3 reveal its self-activation mechanism
Nat Commun, 2024
8SWE
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BU of 8swe by Molmil
FGFR2 Kinase Domain Bound to Reversible Inhibitor Cmpd 3
分子名称: Fibroblast growth factor receptor 2, GLUTATHIONE, GLYCEROL, ...
著者Valverde, R, Foster, L.
登録日2023-05-18
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SWD
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BU of 8swd by Molmil
Crystal Structure of CiaD from Campylobacter jejuni (C-terminal fragment)
分子名称: 2-oxoglutarate:acceptor oxidoreductase, CHLORIDE ION, MAGNESIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-05-18
公開日2023-05-31
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of CiaD from Campylobacter jejuni (C-terminal fragment)
To be published
8SWC
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BU of 8swc by Molmil
RNase H complex with ASO (OOO) and RNA
分子名称: CALCIUM ION, PHOSPHATE ION, PO ASO, ...
著者Cho, Y.-J, Iwamoto, N.
登録日2023-05-18
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Crystal structure of RNase H/RNA/PO-ASO complex at an atomic level
To Be Published
8SWB
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BU of 8swb by Molmil
RNase H complex with streopure ASO and RNA
分子名称: DI(HYDROXYETHYL)ETHER, DNA (5'-R(*(OMC)P*(N7X)P*(T39)P*(C5L)P*(A2M))-D(P*(SC)P*(PST)P*(SC)P*AP*(SC)P*(SC)P*(RC)P*(AS)P*(SC)P*(PST))-R(P*(6OO)P*(RFJ)P*(6OO)P*(6OO)P*(6NW))-3'), GLYCEROL, ...
著者Cho, Y.-J, Iwamoto, N.
登録日2023-05-18
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of RNase H/RNA/PS-ASO complex at an atomic level
To Be Published
8SWA
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BU of 8swa by Molmil
Crystal structure of the human S-adenosylmethionine synthetase 1 in complex with SAM and PPNP
分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, POTASSIUM ION, ...
著者Bruemmer, K.J, Pham, V.N, Toh, J.D.W.
登録日2023-05-18
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Formaldehyde regulates S -adenosylmethionine biosynthesis and one-carbon metabolism.
Science, 382, 2023
8SW9
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BU of 8sw9 by Molmil
Plasmodium falciparum M17 (A460S) mutant
分子名称: CARBONATE ION, Leucine aminopeptidase, PENTAETHYLENE GLYCOL, ...
著者McGowan, S, Suraweera, C, Drinkwater, N.
登録日2023-05-17
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Characterisation of a novel antimalarial agent targeting haemaglobin digestion that shows cross-species reactivity and excellent in vivo properties.
Mbio, 2024
8SW8
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BU of 8sw8 by Molmil
Crystal Structure of HaloTag7 bound to JF669-HaloTag ligand
分子名称: 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium, CHLORIDE ION, Haloalkane dehalogenase
著者Farrants, H, Schreiter, E.R.
登録日2023-05-17
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A modular chemigenetic calcium indicator for multiplexed in vivo functional imaging
To Be Published
8SW7
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BU of 8sw7 by Molmil
BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody FP1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 Boost 2 gp120, BG505 Boost 2 gp41, ...
著者Pratap, P.P, Antansijevic, A, Ozorowski, G, Ward, A.B.
登録日2023-05-17
公開日2023-07-26
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Focusing antibody responses to the fusion peptide in rhesus macaques.
Biorxiv, 2023
8SW6
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BU of 8sw6 by Molmil
Protein Phosphatase 1 in complex with PP1-specific Phosphatase targeting peptide (PhosTAP) version 3
分子名称: CHLORIDE ION, MANGANESE (II) ION, PP1-specific Phosphatase-Targeting Peptide version 3, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2023-05-17
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A Protein Phosphatase 1 specific phosphatase targeting peptide (PhosTAP) to identify the PP1 phosphatome
To Be Published
8SW5
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BU of 8sw5 by Molmil
Protein Phosphatase 1 in complex with PP1-specific Phosphatase targeting peptide (PhosTAP) version 1
分子名称: MANGANESE (II) ION, PHOSPHATE ION, PP1-specific Phosphatase-Targeting Peptide version 1, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2023-05-17
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献A Protein Phosphatase 1 specific phosphatase targeting peptide (PhosTAP) to identify the PP1 phosphatome
To Be Published
8SW4
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BU of 8sw4 by Molmil
BG505 GT1.1 SOSIP in complex with NHP Fabs 21N13, 21M20 and RM20A3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 21M20 heavy chain variable region, ...
著者Ozorowski, G, Torres, J.L, Zhang, S, Ward, A.B.
登録日2023-05-17
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Neutralizing antibodies induced in non-human primates by germline targeting Env trimer
To Be Published
8SW2
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BU of 8sw2 by Molmil
Porous framework formed by assembly of a bipyridyl-conjugated helical peptide
分子名称: 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETATE ION, LEU-AIB-ALA-SER-LEU-ALA-CYS-AIB-LEU, ...
著者Hess, S.S, Nguyen, A.I.
登録日2023-05-17
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks.
J.Am.Chem.Soc., 145, 2023
8SW1
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BU of 8sw1 by Molmil
Puromycin-sensitive aminopeptidase with bound peptide
分子名称: Polyglutamine peptide, Puromycin-sensitive aminopeptidase, ZINC ION
著者Rodgers, D.W, Madabushi, S.
登録日2023-05-17
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Structure of puromycin-sensitive aminopeptidase and polyglutamine binding.
Plos One, 18, 2023
8SW0
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BU of 8sw0 by Molmil
Puromycin sensitive aminopeptidase
分子名称: 1,4-DIETHYLENE DIOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Puromycin-sensitive aminopeptidase, ...
著者Rodgers, D.W, Sampath, S.
登録日2023-05-17
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structure of puromycin-sensitive aminopeptidase and polyglutamine binding.
Plos One, 18, 2023
8SVZ
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BU of 8svz by Molmil
Structure of the Francisella response regulator KdpE receiver domain
分子名称: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Two-component response regulator
著者Milton, M.E, Cavanagh, J.
登録日2023-05-17
公開日2024-06-12
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Insights into DNA-binding motifs and mechanisms of Francisella tularensis novicida two-component system response regulator proteins QseB, KdpE, and BfpR.
Biochem.Biophys.Res.Commun., 722, 2024
8SVY
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BU of 8svy by Molmil
MBP-Mcl1 in complex with ligand 10
分子名称: (15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Miller, B.R, Shaffer, P.
登録日2023-05-17
公開日2023-08-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Macrocyclic Carbon-Linked Pyrazoles As Novel Inhibitors of MCL-1.
Acs Med.Chem.Lett., 14, 2023
8SVX
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BU of 8svx by Molmil
Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in complex with SJPYT-331
分子名称: DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ...
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVU
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BU of 8svu by Molmil
Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in apo form
分子名称: GLYCEROL, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVT
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BU of 8svt by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-331
分子名称: DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ...
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVS
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BU of 8svs by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-328
分子名称: (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVR
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BU of 8svr by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-326
分子名称: (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVQ
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Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-312
分子名称: (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024

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件を2024-06-26に公開中

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