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7N24
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BU of 7n24 by Molmil
NMR structure of native EpI
分子名称: Alpha-conotoxin EpI
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N25
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BU of 7n25 by Molmil
NMR structure of EpI-OH
分子名称: Alpha-conotoxin EpI-OH
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N26
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BU of 7n26 by Molmil
NMR structure of EpI-[Y(SO3)15Y]-NH2
分子名称: Alpha-conotoxin EpI
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
6IUV
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BU of 6iuv by Molmil
Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody 3C11
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3C11 Heavy Chain, 3C11 Light Chain, ...
著者Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X.
登録日2018-11-30
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.332 Å)
主引用文献Structural and functional definition of a vulnerable site on the hemagglutinin of highly pathogenic avian influenza A virus H5N1.
J. Biol. Chem., 294, 2019
4MJ5
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BU of 4mj5 by Molmil
Crystal Structure of HLA-A*1101 in complex with H1-22, an influenza A(H1N1) virus epitope
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-11 alpha chain, ...
著者Liu, J, Tan, S, Zhao, M, Qi, J, Gao, G.F.
登録日2013-09-03
公開日2014-10-08
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Cross-immunity Against Avian Influenza A(H7N9) Virus in the Healthy Population Is Affected by Antigenicity-Dependent Substitutions.
J.Infect.Dis., 214, 2016
4MJ6
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BU of 4mj6 by Molmil
Crystal Structure of HLA-A*1101 in complex with H7-22, an influenza A(H7N9) virus epitope
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-11 alpha chain, ...
著者Liu, J, Tan, S, Zhao, M, Qi, J, Gao, G.F.
登録日2013-09-03
公開日2014-10-08
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Cross-immunity Against Avian Influenza A(H7N9) Virus in the Healthy Population Is Affected by Antigenicity-Dependent Substitutions.
J.Infect.Dis., 214, 2016
4YF9
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BU of 4yf9 by Molmil
Structure of N-acylhomoserine lactone acylase MacQ
分子名称: Protein related to penicillin acylase
著者Yasutake, Y, Kusada, H, Kimura, N.
登録日2015-02-25
公開日2016-03-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Bifunctional quorum-quenching and antibiotic-acylase MacQ forms a 170-kDa capsule-shaped molecule containing spacer polypeptides
Sci Rep, 7, 2017
7N21
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BU of 7n21 by Molmil
NMR structure of AnIB-OH
分子名称: Alpha-conotoxin AnIB
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N23
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BU of 7n23 by Molmil
NMR structure of AnIB[Y(SO3)16Y]-OH
分子名称: Alpha-conotoxin AnIB
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N22
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BU of 7n22 by Molmil
NMR structure of AnIB[Y(SO3)16Y]-NH2
分子名称: Alpha-conotoxin AnIB
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N0T
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BU of 7n0t by Molmil
NMR structure of EpI[Y(SO)315Y]-OH
分子名称: Alpha-conotoxin EpI
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-26
公開日2021-11-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N20
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BU of 7n20 by Molmil
NMR structure of native AnIB
分子名称: Alpha-conotoxin AnIB
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
5CGD
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BU of 5cgd by Molmil
Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile - (HTL14242)
分子名称: 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID
著者Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M.
登録日2015-07-09
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
2K0T
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BU of 2k0t by Molmil
High Resolution Solution NMR Structures of Oxaliplatin-DNA Adduct
分子名称: CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3')
著者Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L.
登録日2008-02-14
公開日2009-02-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
5CGC
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BU of 5cgc by Molmil
Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, ...
著者Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M.
登録日2015-07-09
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
4YFA
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BU of 4yfa by Molmil
Structure of N-acylhomoserine lactone acylase MacQ in complex with decanoic acid
分子名称: DECANOIC ACID, Protein related to penicillin acylase
著者Yasutake, Y, Kusada, H, Kimura, N.
登録日2015-02-25
公開日2016-03-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Bifunctional quorum-quenching and antibiotic-acylase MacQ forms a 170-kDa capsule-shaped molecule containing spacer polypeptides
Sci Rep, 7, 2017
4YG1
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BU of 4yg1 by Molmil
HipB-O1-O2 complex/P21212 crystal form
分子名称: Antitoxin HipB, DNA (48-MER)
著者Schumacher, M.A.
登録日2015-02-25
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献HipBA-promoter structures reveal the basis of heritable multidrug tolerance.
Nature, 524, 2015
6LNT
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BU of 6lnt by Molmil
Cryo-EM structure of immature Zika virus in complex with human antibody DV62.5 Fab
分子名称: Envelope protein, Fab DV62.5 heavy-chain variable region, Fab DV62.5 light-chain variable region, ...
著者Tan, T.Y, Fibriansah, G, Kostyuchenko, V.A, Ng, T.S, Lim, X.X, Lim, X.N, Shi, J, Morais, M.C, Corti, D, Lok, S.M.
登録日2020-01-02
公開日2020-02-26
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献Capsid protein structure in Zika virus reveals the flavivirus assembly process.
Nat Commun, 11, 2020
7NWK
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BU of 7nwk by Molmil
Crystal structure of CDK9-Cyclin T1 bound by compound 6
分子名称: Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide
著者Collie, G.W, Ferguson, A.D.
登録日2021-03-16
公開日2021-10-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement.
J.Med.Chem., 64, 2021
8UR9
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BU of 8ur9 by Molmil
Crystal Structure of the SARS-CoV-2 Main Protease in Complex with Compound 61
分子名称: (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5
著者Papini, C, Zhang, C.H, Jorgensen, W.L, Anderson, K.S.
登録日2023-10-25
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Proof-of-concept studies with a computationally designed M pro inhibitor as a synergistic combination regimen alternative to Paxlovid.
Proc.Natl.Acad.Sci.USA, 121, 2024
5YB3
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BU of 5yb3 by Molmil
Crystal structure of HP23L/N36
分子名称: Envelope glycoprotein, HP23L
著者Zhang, X, Wang, X, He, Y.
登録日2017-09-03
公開日2018-02-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.043 Å)
主引用文献Structural Insights into the Mechanisms of Action of Short-Peptide HIV-1 Fusion Inhibitors Targeting the Gp41 Pocket
Front Cell Infect Microbiol, 8, 2018
1CA5
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BU of 1ca5 by Molmil
INTERCALATION SITE OF HYPERTHERMOPHILE CHROMOSOMAL PROTEIN SSO7D/SAC7D BOUND TO DNA
分子名称: 5'-D(*GP*TP*GP*AP*TP*CP*AP*C)-3', CHROMOSOMAL PROTEIN SAC7D
著者Su, S, Gao, Y.-G, Robinson, H, Shriver, J.W, Wang, A.H.-J.
登録日1999-02-23
公開日2000-02-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of the chromosomal proteins Sso7d/Sac7d bound to DNA containing T-G mismatched base-pairs
J.Mol.Biol., 303, 2000
4KV2
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BU of 4kv2 by Molmil
Ubiquitin-like domain of the mycobacterium tuberculosis type VII secretion system protein ECCD1
分子名称: ESX-1 secretion system protein eccD1
著者Korotkov, K.V, Evans, T.J.
登録日2013-05-22
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structures of EccB1 and EccD1 from the core complex of the mycobacterial ESX-1 type VII secretion system.
Bmc Struct.Biol., 16, 2016
8UDZ
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BU of 8udz by Molmil
The Structure of LTBP-49247 Fab Bound to TGFbeta1 Small Latent Complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LTBP-49247 Fab Heavy Chain, LTBP-49247 Fab Light Chain, ...
著者Streich Jr, F.C, Nicholls, S.B, Boston, C.J, Ramachandran, S.
登録日2023-09-29
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献An antibody that inhibits TGF-beta 1 release from latent extracellular matrix complexes attenuates the progression of renal fibrosis.
Sci.Signal., 17, 2024
5YJ8
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BU of 5yj8 by Molmil
Identification of a small molecule inhibitor for the Tudor domain of TDRD3
分子名称: 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one, SULFATE ION, Tudor domain-containing protein 3
著者Liu, J, Ruan, K.
登録日2017-10-09
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Structural plasticity of the TDRD3 Tudor domain probed by a fragment screening hit.
FEBS J., 285, 2018

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件を2024-08-14に公開中

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