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5SRP
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BU of 5srp by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5340019182 - (R) isomer
分子名称: (8R)-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid, Non-structural protein 3, trifluoroacetic acid
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HCZ
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BU of 8hcz by Molmil
N-terminal domain structure of mycobacterium tuberculosis FadD23
分子名称: Long-chain-fatty-acid--AMP ligase FadD23
著者Yan, M.R, Liu, X, Zhang, W, Rao, Z.H.
登録日2022-11-03
公開日2023-02-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
4V0N
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BU of 4v0n by Molmil
Crystal structure of BBS1N in complex with ARL6DN, soaked with mercury
分子名称: ARF-LIKE SMALL GTPASE, BARDET-BIEDL SYNDROME 1 PROTEIN, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Mourao, A, Lorentzen, E.
登録日2014-09-17
公開日2014-11-19
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (3.131 Å)
主引用文献Structural Basis for Membrane Targeting of the Bbsome by Arl6
Nat.Struct.Mol.Biol., 21, 2014
8CLR
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Integrated NMR/MD structure determination of a dynamic and thermodynamically stable CUUG RNA tetraloop
分子名称: RNA hairpin with CUUG tetraloop
著者Oxenfarth, A, Kuemmerer, F, Bottaro, S, Schnieders, R, Pinter, G, Jonker, H.R.A, Fuertig, B, Richter, C, Blackledge, M, Lindorff-Larsen, K, Schwalbe, H.
登録日2023-02-17
公開日2023-07-19
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Integrated NMR/Molecular Dynamics Determination of the Ensemble Conformation of a Thermodynamically Stable CUUG RNA Tetraloop.
J.Am.Chem.Soc., 145, 2023
5SRQ
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BU of 5srq by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z3831836449 - (R) isomer
分子名称: Non-structural protein 3, [(6R)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]methanol
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H70
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BU of 8h70 by Molmil
Crystal structure of the catalytic ATP-binding domain of the PhoR sensor histidine kinase from Vibrio cholera
分子名称: DI(HYDROXYETHYL)ETHER, Phosphate regulon sensor protein PhoR
著者Jia, R, Zhao, W, Hattori, M.
登録日2022-10-18
公開日2023-02-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of the catalytic ATP-binding domain of the PhoR sensor histidine kinase.
Proteins, 91, 2023
4V1M
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BU of 4v1m by Molmil
Architecture of the RNA polymerase II-Mediator core transcription initiation complex
分子名称: 5'-D(*AP*AP*GP*TP*AP*CP*TP*TP*GP*AP)-3', 5'-D(*CP*CP*AP*GP*GP*AP)-3', 5'-D(*TP*CP*AP*AP*GP*TP*AP*CP*TP*TP*TP*TP*TP*CP *CP*BRUP*GP*GP*TP*C)-3', ...
著者Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P.
登録日2014-09-29
公開日2015-02-04
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.6 Å)
主引用文献Architecture of the RNA Polymerase II-Mediator Core Initiation Complex.
Nature, 518, 2015
5SRS
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BU of 5srs by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2614735107 - (R) and (S) isomers
分子名称: 3-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one, 3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
2RIW
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BU of 2riw by Molmil
The Reactive loop cleaved human Thyroxine Binding Globulin complexed with thyroxine
分子名称: 3,5,3',5'-TETRAIODO-L-THYRONINE, Thyroxine-binding globulin
著者Zhou, A, Wei, Z, Stanley, P.L.D, Read, R.J, Stein, P.E, Carrell, R.W.
登録日2007-10-12
公開日2008-10-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Allosteric modulation of hormone release from thyroxine and corticosteroid-binding globulins
J.Biol.Chem., 286, 2011
8HDF
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BU of 8hdf by Molmil
Full length crystal structure of mycobacterium tuberculosis FadD23 in complex with ANP and PLM
分子名称: Long-chain-fatty-acid--AMP ligase FadD23, PALMITIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Yan, M.R, Liu, X, Zhang, W, Rao, Z.H.
登録日2022-11-04
公開日2023-02-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
4UZN
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BU of 4uzn by Molmil
The native structure of the family 46 carbohydrate-binding module (CBM46) of endo-beta-1,4-glucanase B (Cel5B) from Bacillus halodurans
分子名称: ENDO-BETA-1,4-GLUCANASE (CELULASE B)
著者Venditto, I, Santos, H, Ferreira, L.M.A, Sakka, K, Fontes, C.M.G.A, Najmudin, S.
登録日2014-09-05
公開日2015-02-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Family 46 Carbohydrate-Binding Modules Contribute to the Enzymatic Hydrolysis of Xyloglucan and Beta-1,3-1,4-Glucans Through Distinct Mechanisms.
J.Biol.Chem., 290, 2015
5SP4
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BU of 5sp4 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4718398572
分子名称: 9-[(2-chloro-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
2RED
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BU of 2red by Molmil
Crystal structures of C2ALPHA-PI3 kinase PX-domain domain indicate conformational change associated with ligand binding.
分子名称: GLYCEROL, Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing alpha polypeptide
著者Parkinson, G.N, Vines, D, Driscoll, P.C, Djordjevic, S.
登録日2007-09-26
公開日2007-11-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of PI3K-C2alpha PX domain indicate conformational change associated with ligand binding
Bmc Struct.Biol., 8, 2008
8HD4
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BU of 8hd4 by Molmil
Full-length crystal structure of mycobacterium tuberculosis FadD23 in complex with AMPC16
分子名称: Long-chain-fatty-acid--AMP ligase FadD23, palmitoyl adenylate
著者Yan, M.R, Liu, X, Zhang, W, Rao, Z.H.
登録日2022-11-03
公開日2023-02-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
2REK
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BU of 2rek by Molmil
Crystal structure of tetR-family transcriptional regulator
分子名称: ACETATE ION, Putative tetR-family transcriptional regulator
著者Dong, A, Xu, X, Gu, J, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-09-26
公開日2007-10-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of tetR-family transcriptional regulator.
To be Published
4V08
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BU of 4v08 by Molmil
Inhibited dimeric pseudorabies virus protease pUL26N at 2 A resolution
分子名称: CHLORIDE ION, DIISOPROPYL PHOSPHONATE, MAGNESIUM ION, ...
著者Zuehlsdorf, M, Werten, S, Palm, G.J, Hinrichs, W.
登録日2014-09-11
公開日2015-07-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Dimerization-Induced Allosteric Changes of the Oxyanion-Hole Loop Activate the Pseudorabies Virus Assemblin Pul26N, a Herpesvirus Serine Protease
Plos Pathog., 11, 2015
5SPC
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BU of 5spc by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894387 - (R,R) and (S,S) isomers
分子名称: (1R,2R)-4-hydroxy-1-[(5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-4-hydroxy-1-[(5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HPJ
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BU of 8hpj by Molmil
Crystal structure of the bacterial oxalate transporter OxlT in a ligand-free outward-facing form
分子名称: Fv fragment Heavy chain, Fv fragment Light chain, Oxalate:formate antiporter
著者Shimamura, T, Hirai, T, Yamashita, A.
登録日2022-12-12
公開日2023-02-15
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure and mechanism of oxalate transporter OxlT in an oxalate-degrading bacterium in the gut microbiota.
Nat Commun, 14, 2023
4W2O
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BU of 4w2o by Molmil
Anti-Marburgvirus Nucleoprotein Single Domain Antibody B Complexed with Nucleoprotein C-terminal domain
分子名称: Anti-Marburgvirus Nucleoprotein Single Domain Antibody B, Nucleoprotein, SULFATE ION
著者Taylor, A.B, Garza, J.A.
登録日2017-08-17
公開日2017-10-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Unveiling a Drift Resistant Cryptotope withinMarburgvirusNucleoprotein Recognized by Llama Single-Domain Antibodies.
Front Immunol, 8, 2017
5SRV
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BU of 5srv by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562533 - (R,R) isomer
分子名称: (3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
2RER
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BU of 2rer by Molmil
Crystal structure of the aromatase/cyclase domain of TcmN from Streptomyces glaucescens
分子名称: Multifunctional cyclase-dehydratase-3-O-methyl transferase tcmN
著者Ames, B.D, Korman, T.P, Vu, T.N, Tsai, S.C.
登録日2007-09-26
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure and functional analysis of tetracenomycin ARO/CYC: implications for cyclization specificity of aromatic polyketides.
Proc.Natl.Acad.Sci.Usa, 105, 2008
8GYI
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BU of 8gyi by Molmil
Crystal structure of Fic25 (holo form) from Streptomyces ficellus
分子名称: DegT/DnrJ/EryC1/StrS family aminotransferase, GLYCEROL, IMIDAZOLE, ...
著者Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M.
登録日2022-09-22
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Mechanisms of Sugar Aminotransferase-like Enzymes to Synthesize Stereoisomers of Non-proteinogenic Amino Acids in Natural Product Biosynthesis.
Acs Chem.Biol., 18, 2023
4V47
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BU of 4v47 by Molmil
Real space refined coordinates of the 30S and 50S subunits fitted into the low resolution cryo-EM map of the EF-G.GTP state of E. coli 70S ribosome
分子名称: 16S RIBOSOMAL RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Gao, H, Sengupta, J, Valle, M, Korostelev, A, Eswar, N, Stagg, S.M, Van Roey, P, Agrawal, R.K, Harvey, S.T, Sali, A, Chapman, M.S, Frank, J.
登録日2003-05-06
公開日2014-07-09
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (12.3 Å)
主引用文献Study of the structural dynamics of the E. coli 70S ribosome using real space refinement
Cell(Cambridge,Mass.), 113, 2003
5SRU
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BU of 5sru by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562523 - (S) isomer
分子名称: (8S)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HPK
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BU of 8hpk by Molmil
Crystal structure of the bacterial oxalate transporter OxlT in an oxalate-bound occluded form
分子名称: Fab fragment Heavy chein, Fab fragment Light chain, OXALATE ION, ...
著者Shimamura, T, Hirai, T, Yamashita, A.
登録日2022-12-12
公開日2023-02-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and mechanism of oxalate transporter OxlT in an oxalate-degrading bacterium in the gut microbiota.
Nat Commun, 14, 2023

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