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PDB: 17822 件

5IWP
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Structure of Transient Receptor Potential (TRP) channel TRPV6 in the presence of calcium
分子名称: 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6
著者Saotome, K, Singh, A.K, Yelshanskaya, M.V, Sobolevsky, A.I.
登録日2016-03-22
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Crystal structure of the epithelial calcium channel TRPV6.
Nature, 534, 2016
4I0P
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HLA-DO in complex with HLA-DM
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
著者Guce, A.I, Mortimer, S.E, Stern, L.J.
登録日2012-11-18
公開日2012-12-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献HLA-DO acts as a substrate mimic to inhibit HLA-DM by a competitive mechanism.
Nat.Struct.Mol.Biol., 20, 2013
6SAI
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NMR solution structure of Hml-2 C-terminal dimer domain
分子名称: Gag protein
著者Nicastro, G, Taylor, I.A, Ball, N.J, Ramos, A.
登録日2019-07-16
公開日2020-01-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for Fullerene geometry in a human endogenous retrovirus capsid.
Nat Commun, 10, 2019
6JFR
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K3U bound crystal structure of class II peptide deformylase from methicillin resistant Staphylococcus aureus
分子名称: NICKEL (II) ION, Peptide deformylase, S-(2-oxo-2-phenylethyl) (2R)-2-benzyl-4,4,4-trifluorobutanethioate
著者Lee, I.H, Ho, T.H, Kang, L.W.
登録日2019-02-11
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献K3U bound crystal structure of class II peptide deformylase from methicillin resistant Staphylococcus aureus
To be published
6S9W
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Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 16a
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
著者Landel, I, Mueller, M.P, Rauh, D.
登録日2019-07-15
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
5TR6
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Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK)
分子名称: 1,2-ETHANEDIOL, 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one, Tyrosine-protein kinase SYK
著者Yano, J, Jennings, A, Lam, B, Hoffman, I.D.
登録日2016-10-25
公開日2016-11-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).
Bioorg. Med. Chem. Lett., 26, 2016
4XUM
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PPARgamma ligand binding domain in complex with indomethacin
分子名称: INDOMETHACIN, Peroxisome proliferator-activated receptor gamma
著者Puhl, A.C, Webb, P, Polikarpov, I.
登録日2015-01-26
公開日2015-11-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.
Nucl Recept Signal, 13, 2015
6SBR
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The crystal structure of PfA-M1 in complex with 7-amino-1,4-dibromo-5,7,8,9-tetrahydrobenzocyclohepten-6-one
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Salomon, E, Schmitt, M, Mouray, E, McEwen, A.G, Torchy, M, Poussin-Courmontagne, P, Alavi, S, Tarnus, C, Cavarelli, J, Florent, I, Albrecht, S.
登録日2019-07-22
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Aminobenzosuberone derivatives as PfA-M1 inhibitors: Molecular recognition and antiplasmodial evaluation.
Bioorg.Chem., 98, 2020
4HQS
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BU of 4hqs by Molmil
Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_0659 (Etrx1) from Streptococcus pneumoniae strain TIGR4
分子名称: GLYCEROL, MAGNESIUM ION, Thioredoxin family protein
著者Bartual, S.G, Saleh, M, Abdullah, M.R, Jensch, I, Asmat, T.M, Petruschka, L, Pribyl, T, Hermoso, J.A, Hammerschmidt, S.
登録日2012-10-26
公開日2013-12-25
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Molecular architecture of Streptococcus pneumoniae surface thioredoxin-fold lipoproteins crucial for extracellular oxidative stress resistance and maintenance of virulence.
EMBO Mol Med, 5, 2013
4YBF
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Aspartic Proteinase Sapp2 Secreted from Candida Parapsilosis at 1.25 A Resolution
分子名称: Candidapepsin-2, DI(HYDROXYETHYL)ETHER
著者Dostal, J, Hruskova-Heidingsfeldova, O, Rezacova, P, Brynda, J, Mareckova, L, Pichova, I.
登録日2015-02-18
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Atomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosis.
Acta Crystallogr.,Sect.D, 71, 2015
5U7Q
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Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones
分子名称: Rho-associated protein kinase 2
著者Hoffman, I.D.
登録日2016-12-12
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Identification of a new class of potent Cdc7 inhibitors designed by putative pharmacophore model: Synthesis and biological evaluation of 2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-ones.
Bioorg. Med. Chem., 25, 2017
4HXF
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Acylaminoacyl peptidase in complex with Z-Gly-Gly-Phe-chloromethyl ketone
分子名称: CHLORIDE ION, HEXANE-1,6-DIOL, MAGNESIUM ION, ...
著者Kiss-Szeman, A, Menyhard, D.K, Tichy-Racs, E, Hornung, B, Radi, K, Szeltner, Z, Domokos, K, Szamosi, I, Naray-Szabo, G, Polgar, L, Harmat, V.
登録日2012-11-09
公開日2013-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION.
J.Biol.Chem., 288, 2013
6S9X
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BU of 6s9x by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 15c
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
著者Landel, I, Mueller, M.P, Rauh, D.
登録日2019-07-15
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
6LCC
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BU of 6lcc by Molmil
Crystal structure of AaTPS apo
分子名称: AaTPS
著者He, H, Mori, T, Abe, I.
登録日2019-11-18
公開日2020-07-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of AaTPS
Nat Commun, 2020
5IQ8
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BU of 5iq8 by Molmil
Crystal structure of TEM1 beta-lactamase mutant A224C/G283C disulfide
分子名称: Beta-lactamase TEM
著者Roose, B.W, Dmochowski, I.J.
登録日2016-03-10
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structure of TEM1 beta-lactamase
To Be Published
4I59
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BU of 4i59 by Molmil
Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A complexed with cyclohexanone
分子名称: CYCLOHEXANONE, Cyclohexylamine Oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Mirza, I.A, Berghuis, A.M.
登録日2012-11-28
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Structural Analysis of a Novel Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A.
Plos One, 8, 2013
6JFS
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K4U bound crystal structure of class II peptide deformylase from methicillin resistant Staphylococcus aureus
分子名称: L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE, NICKEL (II) ION, Peptide deformylase
著者Lee, I.H, Ho, T.H, Kang, L.W.
登録日2019-02-11
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献K4U bound crystal structure of class II peptide deformylase from methicillin resistant Staphylococcus aureus
To be published
5I52
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Crystal structure of TEM1 beta-lactamase mutant I263N
分子名称: Beta-lactamase TEM
著者Roose, B.W, Dmochowski, I.J.
登録日2016-02-13
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
4IAN
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BU of 4ian by Molmil
Crystal Structure of apo Human PRPF4B kinase domain
分子名称: SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-06
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
5UG1
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Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain with methylsulfonyl adduct
分子名称: Acyltransferase, SODIUM ION, methanesulfonic acid
著者Sychantha, D, Jones, C, Little, D.J, Moynihan, P.J, Robinson, H, Galley, N.F, Roper, D.I, Dowson, C.G, Howell, P.L, Clarke, A.J.
登録日2017-01-06
公開日2017-10-25
最終更新日2017-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献In vitro characterization of the antivirulence target of Gram-positive pathogens, peptidoglycan O-acetyltransferase A (OatA).
PLoS Pathog., 13, 2017
6SHT
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Molecular structure of mouse apoferritin resolved at 2.7 Angstroms with the Glacios cryo-microscope
分子名称: FE (III) ION, Ferritin heavy chain, MAGNESIUM ION
著者Hamdi, F, Tueting, C, Semchonok, D, Kyrilis, F, Meister, A, Skalidis, I, Schmidt, L, Parthier, C, Stubbs, M.T, Kastritis, P.L.
登録日2019-08-08
公開日2020-05-13
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献2.7 angstrom cryo-EM structure of vitrified M. musculus H-chain apoferritin from a compact 200 keV cryo-microscope.
Plos One, 15, 2020
6SID
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BU of 6sid by Molmil
Crystal structure of the C-lobe of drosophila Arc 1 at atomic resolution
分子名称: Activity-regulated cytoskeleton associated protein 1
著者Hallin, E.I, Kursula, P.
登録日2019-08-09
公開日2019-08-28
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Crystal and solution structures reveal oligomerization of individual capsid homology domains of Drosophila Arc.
Plos One, 16, 2021
6J7W
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Crystal Structure of Human BCMA in complex with UniAb(TM) VH
分子名称: Tumor necrosis factor receptor superfamily member 17, UniAb
著者Clarke, S.C, Ma, B, Trinklein, N.D, Schellenberger, U, Osborn, M, Ouisse, L, Boudreau, A, Davison, L, Harris, K.E, Ugamraj, H, Balasubramani, A, Dang, K, Jorgensen, B, Ogana, H, Pham, D, Pratap, P, Sankaran, P, Anegon, I, van Schooten, W, Bruggemann, M, Buelow, R, Force Aldred, S.
登録日2019-01-18
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Multispecific Antibody Development Platform Based on Human Heavy Chain Antibodies
Front Immunol, 9, 2018
5UFY
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BU of 5ufy by Molmil
Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain
分子名称: Acyltransferase, SODIUM ION
著者Sychantha, D, Jones, C, Little, D.J, Moynihan, P.J, Robinson, H, Galley, N.F, Roper, D.I, Dowson, C.G, Howell, P.L, Clarke, A.J.
登録日2017-01-06
公開日2017-10-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献In vitro characterization of the antivirulence target of Gram-positive pathogens, peptidoglycan O-acetyltransferase A (OatA).
PLoS Pathog., 13, 2017
5UG7
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Calcium bound Perforin C2 Domain - T431D
分子名称: CALCIUM ION, Perforin-1
著者Law, R.H.P, Conroy, P.J, Voskoboinik, I, Whisstock, J.C.
登録日2017-01-07
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Perforin proteostasis is regulated through its C2 domain: supra-physiological cell death mediated by T431D-perforin.
Cell Death Differ., 25, 2018

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