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5TGN
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BU of 5tgn by Molmil
Crystal structure of protein Sthe_2403 from Sphaerobacter thermophilus
分子名称: CHLORIDE ION, GLYCEROL, Uncharacterized protein
著者Michalska, K, Li, H, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2016-09-28
公開日2016-10-26
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Crystal structure of protein Sthe_2403 from Sphaerobacter thermophilus
To Be Published
7K9P
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BU of 7k9p by Molmil
Room temperature structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX.
分子名称: CITRIC ACID, Uridylate-specific endoribonuclease
著者Botha, S, Jernigan, R, Chen, J, Coleman, M.A, Frank, M, Grant, T.D, Hansen, D.T, Ketawala, G, Logeswaran, D, Martin-Garcia, J, Nagaratnam, N, Raj, A.L.L.X, Shelby, M, Yang, J.-H, Yung, M.C, Fromme, P.
登録日2020-09-29
公開日2020-10-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Room-temperature structural studies of SARS-CoV-2 protein NendoU with an X-ray free-electron laser.
Structure, 2022
7KCP
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BU of 7kcp by Molmil
Crystal structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate from Coccidioides posadasii C735
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-10-07
公開日2020-10-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献to be published
to be published
5T87
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BU of 5t87 by Molmil
Crystal structure of CDI complex from Cupriavidus taiwanensis LMG 19424
分子名称: CdiA toxin, CdiI immunity protein
著者Michalska, K, Joachimiak, G, Jedrzejczak, R, Hayes, C.S, Goulding, C.W, Joachimiak, A, Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI), Midwest Center for Structural Genomics (MCSG)
登録日2016-09-06
公開日2017-09-13
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Target highlights from the first post-PSI CASP experiment (CASP12, May-August 2016).
Proteins, 86 Suppl 1, 2018
5TD6
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BU of 5td6 by Molmil
C. elegans FOG-3 BTG/Tob domain - H47N, C117A
分子名称: FOG-3 protein, SULFATE ION
著者Aoki, S.T, Bingman, C.A, Wickens, M, Kimble, J.E.
登録日2016-09-17
公開日2017-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.034 Å)
主引用文献An RNA-Binding Multimer Specifies Nematode Sperm Fate.
Cell Rep, 23, 2018
5TFC
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BU of 5tfc by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with GTP
分子名称: Cystic fibrosis transmembrane conductance regulator, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-24
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
7JWP
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BU of 7jwp by Molmil
Fab CJ11 in complex IL-18 peptide liberated by Caspase cleavage
分子名称: Fab CJ11 Heavy chain, Fab CJ11 Light chain, IL-18 peptide
著者Payandeh, J, Ho, H.
登録日2020-08-26
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of a caspase cleavage motif antibody reveals insights into noncanonical inflammasome function.
Proc.Natl.Acad.Sci.USA, 118, 2021
7JM4
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BU of 7jm4 by Molmil
IRF Transcription Factor
分子名称: Interferon regulatory factor 4, Interferon-Stimulated Response Elements
著者Sundararaj, S, Williams, S.J, Casarotto, M.G.
登録日2020-07-31
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural determinants of the IRF4/DNA homodimeric complex.
Nucleic Acids Res., 49, 2021
7K0X
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BU of 7k0x by Molmil
Marsupial T cell receptor Spl_145
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, T cell receptor gamma chain, T cell receptor mu chain, ...
著者Wegrecki, M, Kannan Sivaraman, K, Le Nours, J, Rossjohn, J.
登録日2020-09-06
公開日2021-03-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The molecular assembly of the marsupial gamma mu T cell receptor defines a third T cell lineage.
Science, 371, 2021
5THA
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BU of 5tha by Molmil
Gemin5 WD40 repeats in complex with a guanosyl moiety
分子名称: DIGUANOSINE-5'-TRIPHOSPHATE, Gem-associated protein 5, UNKNOWN ATOM OR ION
著者Chao, X, Tempel, W, Bian, C, Cerovina, T, He, H, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2016-09-29
公開日2016-10-19
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly.
Genes Dev., 30, 2016
7VAE
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BU of 7vae by Molmil
Cryo-EM structure of bovine NTCP complexed with YN69202Fab
分子名称: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Solute carrier family 10 (Sodium/bile acid cotransporter family), ...
著者Asami, J, Shimizu, T, Ohto, U.
登録日2021-08-29
公開日2022-05-25
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
7VOS
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BU of 7vos by Molmil
High-resolution neutron and X-ray joint refined structure of high-potential iron-sulfur protein in the oxidized state
分子名称: AMMONIUM ION, GLYCEROL, High-potential iron-sulfur protein, ...
著者Hanazono, Y, Hirano, Y, Takeda, K, Kusaka, K, Tamada, T, Miki, K.
登録日2021-10-14
公開日2022-06-01
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (0.66 Å), X-RAY DIFFRACTION
主引用文献Revisiting the concept of peptide bond planarity in an iron-sulfur protein by neutron structure analysis.
Sci Adv, 8, 2022
5SYQ
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BU of 5syq by Molmil
Solution structure of Aquifex aeolicus Aq1974
分子名称: Uncharacterized protein aq_1974
著者Sachleben, J.R, Gawlak, G, Hoey, R.J, Liu, G, Joachimiak, A, Montelione, G.T, Koide, S, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG)
登録日2016-08-11
公開日2016-09-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Aromatic claw: A new fold with high aromatic content that evades structural prediction.
Protein Sci., 26, 2017
7V40
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BU of 7v40 by Molmil
Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2
分子名称: PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, p450tol monooxygenase
著者Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2021-08-12
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V41
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Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with toluene.
分子名称: PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, TOLUENE, ...
著者Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2021-08-12
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V44
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Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with meta-chlorotoluene.
分子名称: 1-chloranyl-2-methyl-benzene, GLYCEROL, PHOSPHATE ION, ...
著者Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2021-08-12
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V61
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BU of 7v61 by Molmil
ACE2 -Targeting Monoclonal Antibody as Potent and Broad-Spectrum Coronavirus Blocker
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, 3E8, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
登録日2021-08-18
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献ACE2-targeting monoclonal antibody as potent and broad-spectrum coronavirus blocker.
Signal Transduct Target Ther, 6, 2021
7V43
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BU of 7v43 by Molmil
Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with para-chlorotoluene.
分子名称: 1-chloranyl-4-methyl-benzene, GLYCEROL, PHOSPHATE ION, ...
著者Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2021-08-12
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V42
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BU of 7v42 by Molmil
Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with benzyl-alcohol.
分子名称: PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, p450tol monooxygenase, ...
著者Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2021-08-12
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V45
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BU of 7v45 by Molmil
Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with para-bromotoluene.
分子名称: 1-bromanyl-4-methyl-benzene, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2021-08-12
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7JZI
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BU of 7jzi by Molmil
Crystal structure of LAIR1 ectodomain (from MGD21) in complex with Plasmodium RIFIN (PF3D7_1040300) V2 domain
分子名称: LAIR1 ectodomain from antibody MGD21, PLATINUM (II) ION, Rifin
著者Xu, K, Kwong, P.D.
登録日2020-09-02
公開日2021-05-26
最終更新日2021-09-22
実験手法X-RAY DIFFRACTION (2.707 Å)
主引用文献Structural basis of LAIR1 targeting by polymorphic Plasmodium RIFINs.
Nat Commun, 12, 2021
7V46
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BU of 7v46 by Molmil
Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with ortho-chlorotoluene.
分子名称: 1-chloranyl-3-methyl-benzene, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2021-08-12
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7VW7
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Crystal structure of the 2 ADP-AlF4-bound V1 complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Suzuki, K, Shekhar, M, Gupta, C, Singharoy, A, Murata, T.
登録日2021-11-09
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.818 Å)
主引用文献Revealing a Hidden Intermediate of Rotatory Catalysis with X-ray Crystallography and Molecular Simulations.
Acs Cent.Sci., 8, 2022
7K0V
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BU of 7k0v by Molmil
Crystal structure of bRaf in complex with inhibitor GNE-0749
分子名称: CHLORIDE ION, N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea, Non-specific serine/threonine protein kinase
著者Yin, J, Eigenbrot, C.E, Wang, W.
登録日2020-09-06
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
7VPU
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Crystal structure of the ligand-binding domain of L. thermotolerans Upc2 in complex with ergosterol
分子名称: ERGOSTEROL, Sterol uptake control protein 2 (Upc2)
著者Tan, L, Im, Y.J.
登録日2021-10-18
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural basis for activation of fungal sterol receptor Upc2 and azole resistance.
Nat.Chem.Biol., 18, 2022

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