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8FN5
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BU of 8fn5 by Molmil
Structure of the truncated catalytic domain of Streptococcus mutans GtfD
分子名称: Glucosyltransferase-S
著者Schormann, N, Deivanayagam, C.
登録日2022-12-27
公開日2023-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
7B14
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BU of 7b14 by Molmil
Nanobody E bound to Spike-RBD in a localized reconstruction
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody against SARS-CoV-2, Spike protein S1
著者Hallberg, B.M, Das, H.
登録日2020-11-23
公開日2021-04-28
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.79 Å)
主引用文献Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape
Science, 371, 2021
7B18
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BU of 7b18 by Molmil
SARS-CoV-spike bound to two neutralising nanobodies
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, Nanobody against SARS-CoV-2 VHH E, ...
著者Hallberg, B.M, Das, H.
登録日2020-11-24
公開日2021-04-28
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
8JMP
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BU of 8jmp by Molmil
Structure of a leaf-branch compost cutinase, ICCG in complex with 1,4-butanediol terephthalate
分子名称: 4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid, CALCIUM ION, Leaf-branch compost cutinase
著者Yang, Y, Xue, T, Zheng, Y, Cheng, S, Guo, R.-T, Chen, C.-C.
登録日2023-06-05
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Remodeling the polymer-binding cavity to improve the efficacy of PBAT-degrading enzyme.
J Hazard Mater, 464, 2023
8JMO
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BU of 8jmo by Molmil
Structure of a leaf-branch compost cutinase, ICCG in complex with 4-((4-Hydroxybutoxy)carbonyl)benzoic acid
分子名称: 4-(4-oxidanylbutoxycarbonyl)benzoic acid, CALCIUM ION, Leaf-branch compost cutinase
著者Yang, Y, Xue, T, Zheng, Y, Cheng, S, Guo, R.-T, Chen, C.-C.
登録日2023-06-05
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Remodeling the polymer-binding cavity to improve the efficacy of PBAT-degrading enzyme.
J Hazard Mater, 464, 2023
7DZ9
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BU of 7dz9 by Molmil
MbnABC complex
分子名称: FE (III) ION, MbnA, MbnB, ...
著者Chao, D, Dan, Z, Yijun, G, Wei, C.
登録日2021-01-25
公開日2022-03-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis.
Cell Res., 32, 2022
5YA5
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BU of 5ya5 by Molmil
CRYSTAL STRUCTURE OF c-MET IN COMPLEX WITH NOVEL INHIBITOR
分子名称: 2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole, Hepatocyte growth factor receptor
著者Liu, Q, Xu, Y.
登録日2017-08-30
公開日2018-07-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery, optimization and biological evaluation for novel c-Met kinase inhibitors
Eur J Med Chem, 143, 2018
5NJ4
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BU of 5nj4 by Molmil
From macrocrystals to microcrystals: a strategy for membrane protein serial crystallography
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Dods, R, Baath, P, Branden, G, Neutze, R.
登録日2017-03-28
公開日2017-08-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献From Macrocrystals to Microcrystals: A Strategy for Membrane Protein Serial Crystallography.
Structure, 25, 2017
7FC0
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BU of 7fc0 by Molmil
Reconstitution of MbnABC complex from Rugamonas rubra ATCC-43154 (GroupIII)
分子名称: FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ...
著者Chao, D, Zhaolin, L, Shoujie, L, Li, Z, Dan, Z, Ying, J, Wei, C.
登録日2021-07-13
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.643 Å)
主引用文献Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis.
Cell Res., 32, 2022
7A29
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BU of 7a29 by Molmil
Cryo-EM structure of the SARS-CoV-2 spike protein bound to neutralizing sybodies (Sb23) 2-up conformation
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, Neutralising sybody (Sb23), ...
著者Hallberg, B.M, Das, H.
登録日2020-08-16
公開日2020-10-21
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Selection, biophysical and structural analysis of synthetic nanobodies that effectively neutralize SARS-CoV-2.
Nat Commun, 11, 2020
6N2J
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BU of 6n2j by Molmil
Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C
分子名称: 1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Vigers, G.P.
登録日2018-11-13
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity.
ACS Med Chem Lett, 9, 2018
6ISU
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BU of 6isu by Molmil
Crystal structure of Lys27-linked di-ubiquitin in complex with its selective interacting protein UCHL3
分子名称: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L3
著者Ding, S, Pan, M, Zheng, Q, Ren, Y, Hong, D.
登録日2018-11-19
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.866 Å)
主引用文献Chemical Protein Synthesis Enabled Mechanistic Studies on the Molecular Recognition of K27-linked Ubiquitin Chains.
Angew. Chem. Int. Ed. Engl., 58, 2019
7F70
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BU of 7f70 by Molmil
Crystal structure of Rv3094c
分子名称: Rv3094c
著者Wang, Z.X, Ouyang, S.Y, Zhang, H.T.
登録日2021-06-26
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene.
Commun Biol, 6, 2023
7F74
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Rv3094c in complex with FMN.
分子名称: FLAVIN MONONUCLEOTIDE, Rv3094c
著者Wang, Z.X, Ouyang, S.Y.
登録日2021-06-27
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene.
Commun Biol, 6, 2023
7FAH
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BU of 7fah by Molmil
Immune complex of head region of CA09 HA and neutralizing antibody 12H5
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Li, T.T, Xue, W.H, Gu, Y, Li, S.W.
登録日2021-07-06
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.151 Å)
主引用文献Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
3KS2
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BU of 3ks2 by Molmil
Crystal Structure of Type-III Secretion Chaperone IpgC from Shigella flexneri (residues 10-155)
分子名称: Chaperone protein ipgC
著者Geisbrecht, B.V, Barta, M.L.
登録日2009-11-20
公開日2010-08-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Evidence for alternative quaternary structure in a bacterial Type III secretion system chaperone
Bmc Struct.Biol., 10, 2010
5KH5
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BU of 5kh5 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) IN COMPLEX WITH ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
分子名称: Isoprenyl transferase, ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
著者Concha, N.O.
登録日2016-06-14
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
7F72
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BU of 7f72 by Molmil
Rv3094c in complex with FAD and ETH.
分子名称: 2-ethylpyridine-4-carboximidothioic acid, FLAVIN MONONUCLEOTIDE, Rv3094c
著者Wang, Z.X, Ouyang, S.Y.
登録日2021-06-27
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene.
Commun Biol, 6, 2023
4M84
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BU of 4m84 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
分子名称: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2013-08-12
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
4FZW
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BU of 4fzw by Molmil
Crystal Structure of the PaaF-PaaG Hydratase-Isomerase Complex from E.coli
分子名称: 1,2-epoxyphenylacetyl-CoA isomerase, 2,3-dehydroadipyl-CoA hydratase, GLYCEROL
著者Grishin, A.M, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2012-07-08
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Protein-Protein Interactions in the beta-Oxidation Part of the Phenylacetate Utilization Pathway. Crystal Structure of the PaaF-PaaG Hydratase-Isomerase Complex
J.Biol.Chem., 287, 2012
4FZA
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BU of 4fza by Molmil
Crystal structure of MST4-MO25 complex
分子名称: Calcium-binding protein 39, GLYCEROL, Serine/threonine-protein kinase MST4
著者Shi, Z.B, Zhou, Z.C.
登録日2012-07-06
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
2V59
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CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 2
分子名称: 6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,7-DIAMINE, BIOTIN CARBOXYLASE
著者Mochalkin, I, Miller, J.R.
登録日2008-10-02
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
5Z11
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BU of 5z11 by Molmil
Crystal Structure of Grass Carp CD8 alpha alpha Homodimers
分子名称: CD8 alpha chain
著者Wang, J.
登録日2017-12-22
公開日2018-04-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal Structure of the Grass Carp CD8 alpha alpha Homodimers Indicates a Dramatic Evolution of CD8 from Ectotherms to Endotherms.
To Be Published
1SYV
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BU of 1syv by Molmil
HLA-B*4405 complexed to the dominant self ligand EEFGRAYGF
分子名称: Beta-2-microglobulin, MHC class I antigen, major histocompatibility complex, ...
著者Zernich, D, Purcell, A.W, Macdonald, W.A, Kjer-Nielsen, L, Ely, L.K, Laham, N, Crockford, T, Mifsud, N.A, Tait, B.D, Holdsworth, R, Brooks, A.G, Bottomley, S.P, Beddoe, T, Peh, C.A, Rossjohn, J, McCluskey, J.
登録日2004-04-02
公開日2004-10-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Natural HLA class I polymorphism controls the pathway of antigen presentation and susceptibility to viral evasion
J.Exp.Med., 200, 2004
3HW4
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Crystal structure of avian influenza A virus in complex with TMP
分子名称: MAGNESIUM ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE
著者Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
登録日2009-06-17
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009

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