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PDB: 51689 results

6G9A
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BU of 6g9a by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 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
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite: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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BU of 5fov by Molmil
HUMANISED MONOMERIC RADA IN COMPLEX WITH FHTG TETRAPEPTIDE
Descriptor: DNA repair and recombination protein RadA, FHTG PEPTIDE, GLYCEROL, ...
Authors:Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
Deposit date:2015-11-26
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.739 Å)
Cite:Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
5JXC
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BU of 5jxc by Molmil
SynGAP Coiled-coil trimer
Descriptor: Ras/Rap GTPase-activating protein SynGAP
Authors:Shang, Y, Zhang, M.
Deposit date:2016-05-13
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Phase Transition in Postsynaptic Densities Underlies Formation of Synaptic Complexes and Synaptic Plasticity.
Cell, 166, 2016
6G52
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BU of 6g52 by Molmil
CRYSTAL STRUCTURE OF THE CNMP BINDING DOMAIN OF THE MAGNESIUM TRANSPORTER CNNM4
Descriptor: Metal transporter CNNM4
Authors:Gimenez, P, Oyenarte, I, Hardy, S, Zubillaga, M, Merino, N, Blanco, F.J, Siliqi, D, Tremblay, M, Muller, D, Martinez-Cruz, L.A.
Deposit date:2018-03-28
Release date:2019-04-10
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (3.691 Å)
Cite:Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
6CCQ
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BU of 6ccq by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol
Descriptor: 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite: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
Descriptor: CYS-PRO-LYS-ARG-PHE-M70-ALA-LEU-PHE-CYS, Plasma kallikrein light chain, SULFATE ION, ...
Authors:Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M.
Deposit date:2015-12-09
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2
To Be Published
5F92
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BU of 5f92 by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate
Descriptor: CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ...
Authors:Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J.
Deposit date:2015-12-09
Release date:2016-06-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.859 Å)
Cite: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
Descriptor: HISTONE H2A.Z, HISTONE H2B TYPE 1-J, VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 72 HOMOLOG
Authors:Latrick, C.M, Marek, M, Ouararhni, K, Papin, C, Stoll, I, Ignatyeva, M, Obri, A, Ennifar, E, Dimitrov, S, Romier, C, Hamiche, A.
Deposit date:2016-01-27
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: GLYCEROL, Geranylgeranyl pyrophosphate synthase
Authors:Lisnyansky, M, Kapelushnik, N, Ben-Bassat, A, Marom, M, Loewenstein, A, Khananshvili, D, Giladi, M, Haitin, Y.
Deposit date:2018-03-24
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.281 Å)
Cite: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
Descriptor: Efflux pump membrane transporter, MexA family multidrug efflux RND transporter periplasmic adaptor subunit, Outer membrane protein OprM
Authors:Glavier, M, Schoehn, G, Taveau, J.C, Phan, G, Daury, L, Lambert, O, Broutin, I.
Deposit date:2019-10-29
Release date:2020-09-16
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: 18S RRNA, 40S RIBOSOMAL PROTEIN S10, 40S RIBOSOMAL PROTEIN S11, ...
Authors: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.
Deposit date:2015-10-28
Release date:2015-12-23
Last modified:2017-08-30
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S ribosomal RNA, 3' domain-associated, ...
Authors:Chaker-Margot, M, Barandun, J, Hunziker, M, Klinge, S.
Deposit date:2016-11-22
Release date:2016-12-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.1 Å)
Cite: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.
Descriptor: (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
Authors:Noguchi, M, Nomura, A, Doi, S, Adachi, T.
Deposit date:2018-12-04
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: Capsid protein VP1, DNA (5'-D(*CP*A)-3')
Authors:Mietzsch, M, McKenna, R.
Deposit date:2021-07-23
Release date:2021-09-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Nowak, R, Talon, R, Krojer, T, Goubin, S, McDonough, M, Fairhead, M, Oppermann, U, Johansson, C.
Deposit date:2016-03-15
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Phosphatidylglycerophosphatase B
Authors:Tong, S, Wang, M, Zheng, L.
Deposit date:2016-05-12
Release date:2016-07-20
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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.
Descriptor: Beta-2-microglobulin, GLYCEROL, GLYCINE, ...
Authors:Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R.
Deposit date:2019-11-09
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, CALCIUM ION, Phosphorylated W peptide
Authors:Edwards, M, Hoad, M, Tsimbalyuk, S, Menicucci, A, Messaoudi, I, Forwood, J, Basler, C.
Deposit date:2020-03-01
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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.
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R.
Deposit date:2019-11-10
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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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BU of 6ge0 by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 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, ...
Authors:O'Reilly, M.
Deposit date:2018-04-25
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R.
Deposit date:2019-11-10
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 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, ...
Authors:Bush, M.W, Walz, T, Coller, B, Filizola, M, Spasic, A, Nesic, D, Li, J.
Deposit date:2021-01-05
Release date:2022-01-12
Last modified:2022-07-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite: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
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, SULFATE ION, ...
Authors:Stams, T, Fodor, M.
Deposit date:2018-03-17
Release date:2018-11-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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)
Descriptor: 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, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2019-03-06
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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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BU of 6tt2 by Molmil
The PH domain of Bruton's tyrosine kinase mutant R28C
Descriptor: MAGNESIUM ION, Tyrosine-protein kinase BTK, ZINC ION
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2019-12-23
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite: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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數據於2024-09-04公開中

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