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8GWK
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BU of 8gwk by Molmil
SARS-CoV-2 RNA E-RTC complex with RMP-nsp9 and GMPPNP
分子名称: Helicase, MAGNESIUM ION, Non-structural protein 7, ...
著者Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
登録日2022-09-17
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
7C2L
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BU of 7c2l by Molmil
S protein of SARS-CoV-2 in complex bound with 4A8
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, R.H, Zhang, Y.Y, Guo, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
登録日2020-05-08
公開日2020-07-01
最終更新日2021-02-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2.
Science, 369, 2020
2K3P
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BU of 2k3p by Molmil
Solution structure of the C-terminal domain (TUSP1-C) of the egg case silk from Nephila antipodiana
分子名称: TuSp1
著者Lin, Z, Huang, W, Fan, J, Yang, D.
登録日2008-05-15
公開日2009-06-02
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of eggcase silk protein and its implications for silk fiber formation
Proc.Natl.Acad.Sci.USA, 106, 2009
4KM9
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BU of 4km9 by Molmil
Crystal structure of human Suppressor of Fused
分子名称: Suppressor of fused homolog
著者Zhang, Y, Qi, X, Zhang, Z, Wu, G.
登録日2013-05-08
公開日2013-11-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
5HU4
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BU of 5hu4 by Molmil
Cystal structure of listeria monocytogenes sortase A
分子名称: Cysteine protease
著者Li, H.
登録日2016-01-27
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibition of sortase A by chalcone prevents Listeria monocytogenes infection.
Biochem. Pharmacol., 106, 2016
4X5Y
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BU of 4x5y by Molmil
Menin in complex with MI-503
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, ...
著者Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J.
登録日2014-12-06
公開日2015-04-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo.
Cancer Cell, 27, 2015
5XLO
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BU of 5xlo by Molmil
Anti-CRISPR proteins AcrF1/2 bound to Csy surveillance complex with a 32nt spacer crRNA backbone region
分子名称: CRISPR-associated protein Csy3, Uncharacterized protein AcrF1, crRNA with 32nt spacer sequence
著者Peng, R, Shi, Y, Gao, G.F.
登録日2017-05-11
公開日2018-01-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Alternate binding modes of anti-CRISPR viral suppressors AcrF1/2 to Csy surveillance complex revealed by cryo-EM structures.
Cell Res., 27, 2017
6ULX
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BU of 6ulx by Molmil
Adenylation domain of a keto acid-selecting NRPS module bound to keto acyl adenylate space group P43212
分子名称: 5'-O-{(S)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosine, Amino acid adenylation domain-containing protein, SULFATE ION
著者Alonzo, D.A, Chiche-Lapierre, C, Schmeing, T.M.
登録日2019-10-08
公開日2020-02-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis.
Nat.Chem.Biol., 16, 2020
8BYP
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BU of 8byp by Molmil
Botulinum neurotoxin serotype X in complex with NTNH/X
分子名称: Botulinum neurotoxin type X, NTNH/X
著者Martinez-Carranza, M, Skerlova, J, Stenmark, P.
登録日2022-12-15
公開日2023-02-08
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Structure and activity of botulinum neurotoxin X.
Biorxiv, 2023
4ZUV
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BU of 4zuv by Molmil
Crystal structure of Equine MHC I(Eqca-N*00602) in complexed with equine infectious anaemia virus (EIAV) derived peptide Env-RW12
分子名称: ARG-VAL-GLU-ASP-VAL-THR-ASN-THR-ALA-GLU-TYR-TRP, Beta-2-microglobulin, Classical MHC class I antigen
著者Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C.
登録日2015-05-17
公開日2016-04-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles
J Immunol., 196, 2016
4ZUU
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BU of 4zuu by Molmil
Crystal structure of Equine MHC I(Eqca-N*00602) in complexed with equine infectious anaemia virus (EIAV) derived peptide Gag-CF9
分子名称: Beta-2-microglobulin, CYS-THR-SER-GLU-GLU-MET-ASN-ALA-PHE, Classical MHC class I antigen
著者Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C.
登録日2015-05-17
公開日2016-04-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles
J Immunol., 196, 2016
7MLH
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BU of 7mlh by Molmil
Crystal structure of human IgE (2F10) in complex with Der p 2.0103
分子名称: CHLORIDE ION, Der p 2 variant 3, IgE Heavy chain, ...
著者Khatri, K, Kapingidza, A.B, Richardson, C.M, Vailes, L.D, Wunschmann, S, Dolamore, C, Chapman, M.D, Smith, S.A, Pomes, A, Chruszcz, M.
登録日2021-04-28
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human IgE monoclonal antibody recognition of mite allergen Der p 2 defines structural basis of an epitope for IgE cross-linking and anaphylaxis in vivo.
Pnas Nexus, 1, 2022
5XWP
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BU of 5xwp by Molmil
Crystal structure of LbuCas13a-crRNA-target RNA ternary complex
分子名称: RNA (30-MER), RNA (59-MER), Uncharacterized protein
著者Liu, L, Li, X, Li, Z, Wang, Y.
登録日2017-06-30
公開日2017-09-13
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (3.086 Å)
主引用文献The Molecular Architecture for RNA-Guided RNA Cleavage by Cas13a.
Cell, 170, 2017
3HO2
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BU of 3ho2 by Molmil
Structure of E.coli FabF(C163A) in complex with Platencin
分子名称: 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2
著者Soisson, S.M, Parthasarathy, G.
登録日2009-06-01
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
Bioorg.Med.Chem.Lett., 19, 2009
8HIT
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BU of 8hit by Molmil
Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4
分子名称: Cytotoxic T-lymphocyte protein 4, JS007-VH, JS007-VL
著者Tan, S, Shi, Y, Wang, Q, Gao, G.F, Guan, J, Chai, Y, Qi, J.
登録日2022-11-21
公開日2023-02-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Characterization of the high-affinity anti-CTLA-4 monoclonal antibody JS007 for immune checkpoint therapy of cancer.
Mabs, 15, 2023
7SA3
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BU of 7sa3 by Molmil
Structure of a monomeric photosystem II core complex from a cyanobacterium acclimated to far-red light
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
著者Gisriel, C.J, Bryant, D.A, Brudvig, G.W.
登録日2021-09-22
公開日2021-12-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.25 Å)
主引用文献Structure of a monomeric photosystem II core complex from a cyanobacterium acclimated to far-red light reveals the functions of chlorophylls d and f.
J.Biol.Chem., 298, 2021
8H6T
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BU of 8h6t by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor
分子名称: (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8H6P
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BU of 8h6p by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor
分子名称: (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-03-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
6ULZ
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BU of 6ulz by Molmil
Adenylation domain of the initiation module of LgrA mutant P483M
分子名称: 3-METHYL-2-OXOBUTANOIC ACID, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, FORMIC ACID, ...
著者Chiche-Lapierre, C, Alonzo, D.A, Schmeing, T.M.
登録日2019-10-08
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis.
Nat.Chem.Biol., 16, 2020
8H3D
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BU of 8h3d by Molmil
Structure of apo SARS-CoV-2 spike protein with one RBD up
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin
著者Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N.
登録日2022-10-08
公開日2023-03-22
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein.
Acs Cent.Sci., 9, 2023
8H3E
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BU of 8h3e by Molmil
Complex structure of a small molecule (SPC-14) bound SARS-CoV-2 spike protein, closed state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid, Spike glycoprotein,Fibritin
著者Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N.
登録日2022-10-08
公開日2023-03-22
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein.
Acs Cent.Sci., 9, 2023
5Y1U
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BU of 5y1u by Molmil
Crystal structure of RBBP4 bound to AEBP2 RRK motif
分子名称: Histone-binding protein RBBP4, SULFATE ION, Zinc finger protein AEBP2
著者Sun, A, Li, F, Wu, J, Shi, Y.
登録日2017-07-21
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Structural and biochemical insights into human zinc finger protein AEBP2 reveals interactions with RBBP4
Protein Cell, 2017
2K3N
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BU of 2k3n by Molmil
Solution structure of the type 1 repetitive domain (TUSP1-RP1) of the egg case silk from Nephila Antipodiana
分子名称: TuSp1
著者Lin, Z, Huang, W, Fan, J, Yang, D.
登録日2008-05-14
公開日2009-06-02
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of eggcase silk protein and its implications for silk fiber formation
Proc.Natl.Acad.Sci.USA, 106, 2009
2K3O
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BU of 2k3o by Molmil
Solution structure of the type 2 repetitive domain (TUSP1-RP2) of the egg case silk from Nephila Antipodiana
分子名称: TuSp1
著者Lin, Z, Huang, W, Fan, J, Yang, D.
登録日2008-05-14
公開日2009-06-02
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of eggcase silk protein and its implications for silk fiber formation
Proc.Natl.Acad.Sci.USA, 106, 2009
6OVG
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BU of 6ovg by Molmil
L-Methionine Depletion with an Engineered Human Enzyme Disrupts Prostate Cancer Metabolism
分子名称: Cystathionine gamma-lyase, SULFATE ION
著者Yan, W, Irani, S, Zhang, J.
登録日2019-05-07
公開日2020-04-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.719 Å)
主引用文献Enzyme-mediated depletion of serum l-Met abrogates prostate cancer growth via multiple mechanisms without evidence of systemic toxicity.
Proc.Natl.Acad.Sci.USA, 117, 2020

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