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PDB: 45855 件

5KX1
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NMR Solution Structure of Designed Peptide NC_cHHH_D1
分子名称: Designed peptide NC_cHHH_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
7R9P
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Crystal structure of HPK1 in complex with compound 14
分子名称: 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide, Hematopoietic progenitor kinase, SULFATE ION
著者Wu, P, Lehoux, I, Wang, W.
登録日2021-06-29
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
5KVN
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NMR Solution Structure of Designed Peptide NC_HEE_D1
分子名称: Designed peptide NC_HEE_D1
著者Harvey, P.J, Craik, D.J.
登録日2016-07-14
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
7R9T
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BU of 7r9t by Molmil
Crystal structure of HPK1 in complex with compound 17
分子名称: 6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide, Hematopoietic progenitor kinase
著者Wu, P, Lehoux, I, Wang, W.
登録日2021-06-29
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7D8T
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MITF bHLHLZ complex with M-box DNA
分子名称: DNA (5'-D(*TP*GP*TP*AP*AP*CP*AP*TP*GP*TP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*AP*CP*AP*CP*AP*TP*GP*TP*TP*AP*CP*AP*G)-3'), Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit
著者Guo, M, Fang, P, Wang, J.
登録日2020-10-09
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.201 Å)
主引用文献A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7R9N
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Crystal structure of HPK1 in complex with GNE1858
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hematopoietic progenitor kinase, ...
著者Wu, P, Lehoux, I, Wang, W.
登録日2021-06-29
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7D8R
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BU of 7d8r by Molmil
MITF HLHLZ structure
分子名称: Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit
著者Guo, M, Fang, P, Wang, J.
登録日2020-10-09
公開日2021-10-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7UVQ
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BU of 7uvq by Molmil
Pfs230 domain 1 bound by RUPA-97 and 15C5 Fabs
分子名称: Fab Heavy Chain, Fab Kappa Light Chain, Gametocyte surface protein P230
著者Ivanochko, D, Julien, J.P.
登録日2022-05-02
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
1ACZ
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BU of 1acz by Molmil
GLUCOAMYLASE, GRANULAR STARCH-BINDING DOMAIN COMPLEX WITH CYCLODEXTRIN, NMR, 5 STRUCTURES
分子名称: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLUCOAMYLASE
著者Sorimachi, K, Le Gal-Coeffet, M.-F, Williamson, G, Archer, D.B, Williamson, M.P.
登録日1997-02-10
公開日1997-07-07
最終更新日2020-07-29
実験手法SOLUTION NMR
主引用文献Solution structure of the granular starch binding domain of Aspergillus niger glucoamylase bound to beta-cyclodextrin.
Structure, 5, 1997
7RIL
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BU of 7ril by Molmil
Crystal structure of hairpin polyamide Py-Im 1 bound to 5' CCTGACCAGG
分子名称: 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, ACETATE ION, non-template DNA, ...
著者Oh, J, Dervan, P.B, Wang, D.
登録日2021-07-20
公開日2022-01-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
7AD1
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Cryo-EM structure of a prefusion stabilized SARS-CoV-2 Spike (D614N, R682S, R685G, A892P, A942P and V987P)(One up trimer)
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, Spike glycoprotein,Envelope glycoprotein,Spike glycoprotein,Envelope glycoprotein,SARS-CoV-2 S protein
著者Rutten, L, Renault, L.L.R, Juraszek, J, Langedijk, J.P.M.
登録日2020-09-14
公開日2020-11-04
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Stabilizing the closed SARS-CoV-2 spike trimer.
Nat Commun, 12, 2021
6HUE
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BU of 6hue by Molmil
ParkinS65N
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ...
著者McWilliams, T.G, Barini, E, Pohjolan-Pirhonen, R, Brooks, S.P, Singh, F, Burel, S, Balk, K, Kumar, A, Montava-Garriga, L, Prescott, A.R, Hassoun, S.M, Mouton-Liger, F, Ball, G, Hills, R, Knebel, A, Ulusoy, A, Di Monte, D.A, Tamjar, J, Antico, O, Fears, K, Smith, L, Brambilla, R, Palin, E, Valori, M, Eerola-Rautio, J, Tienari, P, Corti, O, Dunnett, S.B, Ganley, I.G, Suomalainen, A, Muqit, M.M.K.
登録日2018-10-07
公開日2018-10-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Phosphorylation of Parkin at serine 65 is essential for its activation in vivo .
Open Biology, 8, 2018
1AIY
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BU of 1aiy by Molmil
R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 10 STRUCTURES
分子名称: PHENOL, R6 INSULIN HEXAMER, ZINC ION
著者Chang, X, Jorgensen, A.M.M, Bardrum, P, Led, J.J.
登録日1997-04-30
公開日1997-11-12
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Solution structures of the R6 human insulin hexamer.
Biochemistry, 36, 1997
8QZ3
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BU of 8qz3 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb67)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Nanobody 67, POTASSIUM ION, ...
著者Baronina, A, Pike, A.C.W, Rodstrom, K.E.J, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2023-10-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
7Q5P
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BU of 7q5p by Molmil
Structure of VgrG1 from Pseudomonas protegens.
分子名称: Type VI secretion protein VgrG
著者Guenther, P, Quentin, D, Ahmad, S, Sachar, K, Gatsogiannis, C, Whitney, J.C, Raunser, S.
登録日2021-11-04
公開日2021-12-15
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of a bacterial Rhs effector exported by the type VI secretion system.
Plos Pathog., 18, 2022
1A0D
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BU of 1a0d by Molmil
XYLOSE ISOMERASE FROM BACILLUS STEAROTHERMOPHILUS
分子名称: MANGANESE (II) ION, XYLOSE ISOMERASE
著者Gallay, O, Chopra, R, Conti, E, Brick, P, Blow, D.
登録日1997-11-28
公開日1998-06-03
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structures of Class II Xylose Isomerases from Two Thermophiles and a Hyperthermophile
To be Published
7RHY
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BU of 7rhy by Molmil
Cre recombinase mutant (D33A/A36V/R192A) in complex with loxA DNA hairpin
分子名称: DNA (49-MER), Recombinase cre
著者Stachowski, K, Foster, M.P.
登録日2021-07-19
公開日2022-01-19
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Mechanisms of Cre recombinase synaptic complex assembly and activation illuminated by Cryo-EM.
Nucleic Acids Res., 50, 2022
8AGT
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BU of 8agt by Molmil
Yeast RQC complex in state F
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Tesina, P, Buschauer, R, Beckmann, R.
登録日2022-07-20
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
8AKM
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Acyl-enzyme complex of ertapenem bound to deacylation mutant KPC-2 (E166Q)
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, Ertapenem, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-07-29
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
5LJ3
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Structure of the core of the yeast spliceosome immediately after branching
分子名称: CEF1, CLF1, CWC15, ...
著者Galej, W.P, Wilkinson, M.F, Fica, S.M, Oubridge, C, Newman, A.J, Nagai, K.
登録日2016-07-17
公開日2016-08-03
最終更新日2019-10-23
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structure of the spliceosome immediately after branching.
Nature, 537, 2016
7RHX
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BU of 7rhx by Molmil
Cryo-EM structure of precleavage Cre tetrameric complex
分子名称: DNA (42-MER), Recombinase cre
著者Stachowski, K, Foster, M.P.
登録日2021-07-19
公開日2022-01-19
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Mechanisms of Cre recombinase synaptic complex assembly and activation illuminated by Cryo-EM.
Nucleic Acids Res., 50, 2022
8AKK
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BU of 8akk by Molmil
Acyl-enzyme complex of imipenem bound to deacylation mutant KPC-2 (E166Q)
分子名称: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-07-29
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
8AKL
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Acyl-enzyme complex of meropenem bound to deacylation mutant KPC-2 (E166Q)
分子名称: (2S,3R,4R)-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-07-29
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
1A0H
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BU of 1a0h by Molmil
THE X-RAY CRYSTAL STRUCTURE OF PPACK-MEIZOTHROMBIN DESF1: KRINGLE/THROMBIN AND CARBOHYDRATE/KRINGLE/THROMBIN INTERACTIONS AND LOCATION OF THE LINKER CHAIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, MEIZOTHROMBIN
著者Martin, P.D, Malkowski, M.G, Box, J, Esmon, C.T, Edwards, B.F.P.
登録日1997-11-30
公開日1998-06-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献New insights into the regulation of the blood clotting cascade derived from the X-ray crystal structure of bovine meizothrombin des F1 in complex with PPACK.
Structure, 5, 1997
7PQF
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Crystal structure of Campylobacter jejuni DsbA2
分子名称: Thiol:disulfide interchange protein DsbA/DsbL
著者Wilk, P, Banas, A.M, Bocian-Ostrzycka, K.M, Jagusztyn-Krynicka, E.K.
登録日2021-09-17
公開日2021-12-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Interplay between DsbA1, DsbA2 and C8J_1298 Periplasmic Oxidoreductases of Campylobacter jejuni and Their Impact on Bacterial Physiology and Pathogenesis.
Int J Mol Sci, 22, 2021

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件を2024-08-07に公開中

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