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PDB: 53012 件

5KWZ
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BU of 5kwz by Molmil
NMR Solution Structure of Designed Peptide NC_cHH_D1
分子名称: Designed peptide NC_cHH_D1
著者Harvey, P.J, Craik, D.J.
登録日2016-07-19
公開日2016-09-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
7RAZ
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BU of 7raz by Molmil
Small conductance mechanosensitive channel MscS
分子名称: PHOSPHATIDYLETHANOLAMINE, Small-conductance mechanosensitive channel
著者Catalano, C, Ben-Hail, D, Qiu, W, des Georges, A, Guo, Y.
登録日2021-07-05
公開日2022-07-13
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Small conductance mechanosensitive channel MscS
To Be Published
6UNN
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BU of 6unn by Molmil
The crystal structure of 4-methoxycinnamic acid-bound CYP199A4
分子名称: (E)-3-(4-methoxyphenyl)acrylic acid, CHLORIDE ION, CYP199A4, ...
著者Doherty, Z.D, Bell, S.G, Bruning, J.
登録日2019-10-13
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.655 Å)
主引用文献The crystal structure of 4-methoxycinnamic acid-bound CYP199A4
To Be Published
5KZT
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BU of 5kzt by Molmil
Listeria monocytogenes OppA bound to peptide
分子名称: Hexamer peptide: SER-ASP-GLU-SER-LYS-GLY, Hexamer peptide: SER-ASP-GLU-SER-SER-GLY, Peptide/nickel transport system substrate-binding protein
著者Light, S.H, Whiteley, A.T, Minasov, G, Portnoy, D.A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-07-25
公開日2016-08-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Listeria monocytogenes OppA bound to peptide
To Be Published
5AZ7
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BU of 5az7 by Molmil
Crystal structure of MBP-Tom20 fusion protein with a 4-residue spacer in the connector helix
分子名称: Maltose-binding periplasmic protein,Mitochondrial import receptor subunit TOM20 homolog, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Matsuoka, R, Kohda, D.
登録日2015-09-27
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Rational design of crystal contact-free space in protein crystals for analyzing spatial distribution of motions within protein molecules.
Protein Sci., 25, 2016
6TXW
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BU of 6txw by Molmil
V30G Transthyretin structure in complex with Tolcalpone
分子名称: Tolcapone, Transthyretin
著者Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S.
登録日2020-01-14
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.153 Å)
主引用文献Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis.
Febs J., 288, 2021
6QNA
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BU of 6qna by Molmil
Structure of bovine anti-RSV hybrid Fab B13HC-B4LC
分子名称: B13 Heavy chain, B4 light chain, GLYCEROL
著者Ren, J, Nettleship, J.E, Harris, G, Mwangi, W, Rhaman, N, Grant, C, Kotecha, A, Fry, E, Charleston, B, Stuart, D.I, Hammond, J, Owens, R.J.
登録日2019-02-10
公開日2019-05-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献The role of the light chain in the structure and binding activity of two cattle antibodies that neutralize bovine respiratory syncytial virus.
Mol.Immunol., 112, 2019
7R6R
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BU of 7r6r by Molmil
Crystal Structure of a Mycobacteriophage Cluster A2 Immunity Repressor:DNA Complex
分子名称: DNA (5'-D(P*CP*CP*CP*GP*CP*TP*TP*GP*AP*CP*AP*GP*CP*CP*AP*CP*CP*GP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*CP*GP*GP*TP*GP*GP*CP*TP*GP*TP*CP*AP*AP*GP*CP*GP*GP*G)-3'), Immunity repressor
著者McGinnis, R.J, Brambley, C.A, Stamey, B, Green, W.C, Gragg, K.N, Cafferty, E.R, Terwilliger, T.C, Hammel, M, Hollis, T.J, Miller, J.M, Gainey, M.D, Wallen, J.R.
登録日2021-06-23
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献A monomeric mycobacteriophage immunity repressor utilizes two domains to recognize an asymmetric DNA sequence.
Nat Commun, 13, 2022
6ES0
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BU of 6es0 by Molmil
Crystal structure of the kinase domain of human RIPK2 in complex with the activation loop targeting inhibitor CS-R35
分子名称: 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid, Receptor-interacting serine/threonine-protein kinase 2
著者Pinkas, D.M, Bufton, J.C, Suebsuwong, C, Ray, S.S, Dai, B, Newman, J.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Degterev, A, Cuny, G.D, Bullock, A.N.
登録日2017-10-19
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6EBG
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BU of 6ebg by Molmil
Ohr (Organic Hydroperoxide Resistance protein) mutant - C60S interacting with dihydrolipoamide
分子名称: (6S)-6,8-disulfanyloctanamide, Organic hydroperoxide resistance protein
著者Domingos, R.M, Teixeira, R.D, Alegria, T.G.P, Vieira, P.S, Murakami, M.T, Netto, L.E.S.
登録日2018-08-06
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Substrate and product-assisted catalysis: molecular aspects behind structural switches along Organic Hydroperoxide Resistance Protein catalytic cycle
Acs Catalysis, 2020
5IGH
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BU of 5igh by Molmil
Macrolide 2'-phosphotransferase type I
分子名称: Macrolide 2'-phosphotransferase, SULFATE ION
著者Berghuis, A.M, Fong, D.H.
登録日2016-02-28
公開日2017-04-26
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5IGV
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BU of 5igv by Molmil
Macrolide 2'-phosphotransferase type II - complex with GDP and azithromycin
分子名称: AZITHROMYCIN, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Berghuis, A.M, Fong, D.H.
登録日2016-02-28
公開日2017-04-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
6ECD
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BU of 6ecd by Molmil
Vlm2 thioesterase domain with genetically encoded 2,3-diaminopropionic acid bound with a tetradepsipeptide
分子名称: Vlm2, tetradepsipeptide
著者Alonzo, D.A, Huguenin-Dezot, N, Heberlig, G.W, Mahesh, M, Nguyen, D.P, Dornan, M.H, Boddy, C.N, Chin, J.W, Schmeing, T.M.
登録日2018-08-07
公開日2018-12-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Trapping biosynthetic acyl-enzyme intermediates with encoded 2,3-diaminopropionic acid.
Nature, 565, 2019
8EBM
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BU of 8ebm by Molmil
Structure of KLHDC2 substrate binding domain bound to KLHDC2's C-degron mimic
分子名称: ASN-GLN-ARG-PHE-GLY-SER-ASN-ASN-THR-SER-GLY-SER, Kelch domain-containing protein 2
著者Scott, D.C, Schulman, B.A.
登録日2022-08-31
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity.
Mol.Cell, 83, 2023
6U1Z
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BU of 6u1z by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 280 K
分子名称: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
著者Yabukarski, F, Herschlag, D.
登録日2019-08-18
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5005 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
7UHB
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BU of 7uhb by Molmil
SARS-CoV-2 spike in complex with AHB2-2GS-SB175 (local refinement of the RBD and AHB2)
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, Multivalent miniprotein inhibitor AHB2-2GS-SB175, Spike glycoprotein
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-03-26
公開日2022-06-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
5IH1
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BU of 5ih1 by Molmil
Macrolide 2'-phosphotransferase type II - complex with GDP and phosphorylated josamycin
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Berghuis, A.M, Fong, D.H.
登録日2016-02-28
公開日2017-04-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
6EE7
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BU of 6ee7 by Molmil
Small tetraheme cytochrome c from Shewanella oneidensis
分子名称: HEME C, Periplasmic tetraheme cytochrome c CctA, ZINC ION
著者Huang, J, Zarzycki, J, Ducat, D.C, Kramer, D.M.
登録日2018-08-13
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.394 Å)
主引用文献Mesoscopic to Macroscopic Electron Transfer by Hopping in a Crystal Network of Cytochromes.
J.Am.Chem.Soc., 142, 2020
5XF1
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BU of 5xf1 by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
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Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
登録日2017-04-06
公開日2017-05-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
8SFA
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BU of 8sfa by Molmil
Crystal structure of the engineered SsoPox variant IIIC1
分子名称: Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION
著者Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H.
登録日2023-04-10
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
7V6Z
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BU of 7v6z by Molmil
Cryo-EM structure of Patched1 (V1084A mutant) in lipid nanodisc, 3.64 angstrom (reprocessed with the dataset of 7dzp)
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, CHOLESTEROL, ...
著者Luo, Y, Zhao, Y, Qu, Q, Li, D.
登録日2021-08-20
公開日2021-09-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Cryo-EM study of patched in lipid nanodisc suggests a structural basis for its clustering in caveolae.
Structure, 29, 2021
8GMK
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BU of 8gmk by Molmil
Pyruvate bound structure of Citrate Synthase (CitA) in Mycobacterium Tuberculosis
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRUVIC ACID, ...
著者Pathirage, R, Ronning, D, Yamsek, M.
登録日2023-03-26
公開日2023-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8EBL
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BU of 8ebl by Molmil
Structure of KLHDC2 substrate binding domain bound to C-degron from EPHB2
分子名称: GLU-ASP-SER-HIS-LYS-GLU-SER-ASN-ASP-CYS-SER-CYS-GLY-GLY, Kelch domain-containing protein 2
著者Scott, D.C, Schulman, B.A.
登録日2022-08-31
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity.
Mol.Cell, 83, 2023
6WMQ
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BU of 6wmq by Molmil
Crystal Structure of Human REV-ERBbeta Ligand Binding Domain Co-Bound to Heme and NCoR ID1 Peptide
分子名称: Nuclear receptor Rev-ErbA beta variant 1, Nuclear receptor corepressor 1, PROTOPORPHYRIN IX CONTAINING FE
著者Mosure, S.A, Shang, J, Kojetin, D.J.
登録日2020-04-21
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis for heme-dependent NCoR binding to the transcriptional repressor REV-ERB beta.
Sci Adv, 7, 2021
8IZZ
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BU of 8izz by Molmil
Cryo-EM structure of DIP-2I8I polymorph 2
分子名称: GLY-PHI-GLY-ASN-GLY-ASN-GLY-PHI-GLY
著者Li, D.N, Ma, Y.Y, Li, D, Dai, B, Liu, C.
登録日2023-04-09
公開日2024-04-10
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Cryo-EM structure of DIP-2I8I fibril polymorph 2
To Be Published

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