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PDB: 51689 件

6G9A
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Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-10
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
5FOV
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HUMANISED MONOMERIC RADA IN COMPLEX WITH FHTG TETRAPEPTIDE
分子名称: DNA repair and recombination protein RadA, FHTG PEPTIDE, GLYCEROL, ...
著者Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
登録日2015-11-26
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.739 Å)
主引用文献Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
5JXC
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SynGAP Coiled-coil trimer
分子名称: Ras/Rap GTPase-activating protein SynGAP
著者Shang, Y, Zhang, M.
登録日2016-05-13
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Phase Transition in Postsynaptic Densities Underlies Formation of Synaptic Complexes and Synaptic Plasticity.
Cell, 166, 2016
6G52
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CRYSTAL STRUCTURE OF THE CNMP BINDING DOMAIN OF THE MAGNESIUM TRANSPORTER CNNM4
分子名称: Metal transporter CNNM4
著者Gimenez, P, Oyenarte, I, Hardy, S, Zubillaga, M, Merino, N, Blanco, F.J, Siliqi, D, Tremblay, M, Muller, D, Martinez-Cruz, L.A.
登録日2018-03-28
公開日2019-04-10
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3.691 Å)
主引用文献Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
6CCQ
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Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol
分子名称: 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
5F8T
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BU of 5f8t by Molmil
The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2
分子名称: CYS-PRO-LYS-ARG-PHE-M70-ALA-LEU-PHE-CYS, Plasma kallikrein light chain, SULFATE ION, ...
著者Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M.
登録日2015-12-09
公開日2016-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2
To Be Published
5F92
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Fumarate hydratase of Mycobacterium tuberculosis in complex with formate
分子名称: CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ...
著者Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J.
登録日2015-12-09
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site.
Proc.Natl.Acad.Sci.USA, 113, 2016
5FUG
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BU of 5fug by Molmil
Crystal structure of a human YL1-H2A.Z-H2B complex
分子名称: HISTONE H2A.Z, HISTONE H2B TYPE 1-J, VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 72 HOMOLOG
著者Latrick, C.M, Marek, M, Ouararhni, K, Papin, C, Stoll, I, Ignatyeva, M, Obri, A, Ennifar, E, Dimitrov, S, Romier, C, Hamiche, A.
登録日2016-01-27
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Basis and Specificity of H2A.Z-H2B Recognition and Deposition by the Histone Chaperone Yl1
Nat.Struct.Mol.Biol., 23, 2016
6G32
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BU of 6g32 by Molmil
Crystal structure of human geranylgeranyl diphosphate synthase mutant D188Y
分子名称: GLYCEROL, Geranylgeranyl pyrophosphate synthase
著者Lisnyansky, M, Kapelushnik, N, Ben-Bassat, A, Marom, M, Loewenstein, A, Khananshvili, D, Giladi, M, Haitin, Y.
登録日2018-03-24
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.281 Å)
主引用文献Reduced Activity of Geranylgeranyl Diphosphate Synthase Mutant Is Involved in Bisphosphonate-Induced Atypical Fractures.
Mol. Pharmacol., 94, 2018
6TA5
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BU of 6ta5 by Molmil
OprM-MexA complex from the MexAB-OprM Pseudomonas aeruginosa whole assembly reconstituted in nanodiscs
分子名称: Efflux pump membrane transporter, MexA family multidrug efflux RND transporter periplasmic adaptor subunit, Outer membrane protein OprM
著者Glavier, M, Schoehn, G, Taveau, J.C, Phan, G, Daury, L, Lambert, O, Broutin, I.
登録日2019-10-29
公開日2020-09-16
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Antibiotic export by MexB multidrug efflux transporter is allosterically controlled by a MexA-OprM chaperone-like complex.
Nat Commun, 11, 2020
5FLX
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BU of 5flx by Molmil
Mammalian 40S HCV-IRES complex
分子名称: 18S RRNA, 40S RIBOSOMAL PROTEIN S10, 40S RIBOSOMAL PROTEIN S11, ...
著者Yamamoto, H, Collier, M, Loerke, J, Ismer, J, Schmidt, A, Hilal, T, Sprink, T, Yamamoto, K, Mielke, T, Burger, J, Shaikh, T.R, Dabrowski, M, Hildebrand, P.W, Scheerer, P, Spahn, C.M.T.
登録日2015-10-28
公開日2015-12-23
最終更新日2017-08-30
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Molecular Architecture of the Ribosome-Bound Hepatitis C Virus Internal Ribosomal Entry Site RNA.
Embo J., 34, 2015
5TZS
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BU of 5tzs by Molmil
Architecture of the yeast small subunit processome
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S ribosomal RNA, 3' domain-associated, ...
著者Chaker-Margot, M, Barandun, J, Hunziker, M, Klinge, S.
登録日2016-11-22
公開日2016-12-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.1 Å)
主引用文献Architecture of the yeast small subunit processome.
Science, 355, 2017
6IVX
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BU of 6ivx by Molmil
Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
分子名称: (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
著者Noguchi, M, Nomura, A, Doi, S, Adachi, T.
登録日2018-12-04
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
J. Med. Chem., 62, 2019
7RL1
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BU of 7rl1 by Molmil
AAVrh.10-7x capsid
分子名称: Capsid protein VP1, DNA (5'-D(*CP*A)-3')
著者Mietzsch, M, McKenna, R.
登録日2021-07-23
公開日2021-09-08
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Structural Study of Aavrh.10 Receptor and Antibody Interactions.
J.Virol., 95, 2021
5FZO
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BU of 5fzo by Molmil
Crystal structure of the catalytic domain of human JmjD1C
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MANGANESE (II) ION, ...
著者Nowak, R, Talon, R, Krojer, T, Goubin, S, McDonough, M, Fairhead, M, Oppermann, U, Johansson, C.
登録日2016-03-15
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jmjd1C
To be Published
5JWY
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BU of 5jwy by Molmil
Structure of lipid phosphate phosphatase PgpB complex with PE
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Phosphatidylglycerophosphatase B
著者Tong, S, Wang, M, Zheng, L.
登録日2016-05-12
公開日2016-07-20
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Insight into Substrate Selection and Catalysis of Lipid Phosphate Phosphatase PgpB in the Cell Membrane.
J.Biol.Chem., 291, 2016
6TDO
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BU of 6tdo by Molmil
Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket.
分子名称: Beta-2-microglobulin, GLYCEROL, GLYCINE, ...
著者Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R.
登録日2019-11-09
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection.
Nat Commun, 11, 2020
6W0L
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BU of 6w0l by Molmil
Henipavirus W protein interacts with 14-3-3 to modulate host gene expression
分子名称: 14-3-3 protein sigma, CALCIUM ION, Phosphorylated W peptide
著者Edwards, M, Hoad, M, Tsimbalyuk, S, Menicucci, A, Messaoudi, I, Forwood, J, Basler, C.
登録日2020-03-01
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Henipavirus W Proteins Interact with 14-3-3 To Modulate Host Gene Expression.
J.Virol., 94, 2020
6TDQ
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BU of 6tdq by Molmil
Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket and one GM dipeptide in the F pocket.
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
著者Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R.
登録日2019-11-10
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection.
Nat Commun, 11, 2020
6GE0
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Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者O'Reilly, M.
登録日2018-04-25
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6TDS
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BU of 6tds by Molmil
Crystal structure of the disulfide engineered HLA-A0201 molecule without peptide bound after NaCl wash
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
著者Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R.
登録日2019-11-10
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection.
Nat Commun, 11, 2020
7LA4
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BU of 7la4 by Molmil
Integrin AlphaIIbBeta3-PT25-2 Complex
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, CALCIUM ION, ...
著者Bush, M.W, Walz, T, Coller, B, Filizola, M, Spasic, A, Nesic, D, Li, J.
登録日2021-01-05
公開日2022-01-12
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Electron microscopy shows that binding of monoclonal antibody PT25-2 primes integrin alpha IIb beta 3 for ligand binding.
Blood Adv, 5, 2021
6CRG
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BU of 6crg by Molmil
Crystal Structure of Shp2 E76K GOF Mutant in complex with SHP099
分子名称: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, SULFATE ION, ...
著者Stams, T, Fodor, M.
登録日2018-03-17
公開日2018-11-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural reorganization of SHP2 by oncogenic mutations and implications for oncoprotein resistance to allosteric inhibition.
Nat Commun, 9, 2018
6JLL
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BU of 6jll by Molmil
XFEL structure of cyanobacterial photosystem II (2F state, dataset1)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2019-03-06
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6TT2
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The PH domain of Bruton's tyrosine kinase mutant R28C
分子名称: MAGNESIUM ION, Tyrosine-protein kinase BTK, ZINC ION
著者Brear, P, Wagstaff, J, Hyvonen, M.
登録日2019-12-23
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published

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件を2024-09-04に公開中

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