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1G1S
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P-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH PSGL-1 PEPTIDE
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-[beta-D-galactopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-galactopyranose, P-SELECTIN, ...
著者Somers, W.S, Camphausen, R.T.
登録日2000-10-13
公開日2001-10-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
8HK2
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C3aR-Gi-C3a protein complex
分子名称: C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, CHOLESTEROL, ...
著者Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
登録日2022-11-24
公開日2023-05-10
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
7OKD
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Crystal structure of human BCL6 BTB domain in complex with compound 25
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein, ...
著者Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2021-05-17
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.
J.Med.Chem., 64, 2021
6X3V
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Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus etomidate
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, Etomidate, ...
著者Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E.
登録日2020-05-21
公開日2020-09-09
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Shared structural mechanisms of general anaesthetics and benzodiazepines.
Nature, 585, 2020
6X5K
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Crystal structure of CODH/ACS with carbon monoxide bound to the A-cluster
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CARBON MONOXIDE, Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha, ...
著者Cohen, S.E, Wittenborn, E.C, Hendrickson, R, Drennan, C.L.
登録日2020-05-26
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Crystallographic Characterization of the Carbonylated A-Cluster in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase
Acs Catalysis, 10, 2020
7JX3
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Mapping neutralizing and immunodominant sites on the SARS-CoV-2 spike receptor-binding domain by structure-guided high-resolution serology
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab domain of monoclonal antibody S2H14, Heavy chain of Fab domain of monoclonal antibody S304, ...
著者Snell, G, Czudnochowski, N, Rosen, L.E, Nix, J.C, Corti, D, Veesler, D, Park, Y.J, Walls, A.C, Tortorici, M.A, Cameroni, E, Pinto, D, Beltramello, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-08-26
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology.
Cell, 183, 2020
5JRR
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Crystal structure of native laccase from Thermus thermophilus HB27
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ...
著者Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E.
登録日2016-05-06
公開日2017-05-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published
6TT8
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Haddock model of NDM-1/morin complex
分子名称: 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, Metallo beta lactamase NDM-1, ZINC ION
著者Riviere, G, Oueslati, S, Gayral, M, Crechet, J.B, Nhiri, N, Jacquet, E, Cintrat, J.C, Giraud, F, van Heijenoort, C, Lescop, E, Pethe, S, Iorga, B.I, Naas, T, Guittet, E, Morellet, N.
登録日2019-12-25
公開日2021-01-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-beta-Lactamase-1 and on the Binding with Flavonols as Inhibitors.
Acs Omega, 5, 2020
7QI2
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Magic-angle spinning NMR structure of the human voltage-dependent anion channel 1 (E73V/C127A/C232S) in DMPC lipid bilayers
分子名称: Voltage-dependent anion-selective channel protein 1
著者Najbauer, E.E, Andreas, L.B.
登録日2021-12-14
公開日2022-03-16
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Structure and Gating Behavior of the Human Integral Membrane Protein VDAC1 in a Lipid Bilayer.
J.Am.Chem.Soc., 144, 2022
6Q1F
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Atomic structure of the Human Herpesvirus 6B Capsid and Capsid-Associated Tegument Complexes
分子名称: Large structural phosphoprotein, Major capsid protein, Small capsomere-interacting protein, ...
著者Zhang, Y.B, Liu, W, Li, Z.H, Kumar, V, Alvarez-Cabrera, A.L, Leibovitch, E, Cui, Y.X, Mei, Y, Bi, G.Q, Jacobson, S, Zhou, Z.H.
登録日2019-08-03
公開日2019-12-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Atomic structure of the human herpesvirus 6B capsid and capsid-associated tegument complexes.
Nat Commun, 10, 2019
5JX9
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Crystal structure of laccase from Thermus thermophilus HB27 (Cu(II)-cyclophanes, 5 min)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase
著者Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E.
登録日2016-05-12
公開日2017-06-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published
7UTL
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BU of 7utl by Molmil
ALTERNATIVE MODELING OF TROPOMYOSIN IN HUMAN CARDIAC THIN FILAMENT IN THE CALCIUM FREE STATE
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Rynkiewicz, M.J, Pavadai, E, Lehman, W.
登録日2022-04-27
公開日2022-09-21
実験手法ELECTRON MICROSCOPY (6.6 Å)
主引用文献Protein-Protein Docking Reveals Dynamic Interactions of Tropomyosin on Actin Filaments.
Biophys J, 119, 2020
7V3D
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Complex structure of serine hydroxymethyltransferase from Enterococcus faecium and its inhibitor
分子名称: (4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Hayashi, H, Murayama, K.
登録日2021-08-10
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Serine hydroxymethyltransferase as a potential target of antibacterial agents acting synergistically with one-carbon metabolism-related inhibitors.
Commun Biol, 5, 2022
6Q9Z
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Crystal structure of the pathological G167R variant of calcium-free human gelsolin,
分子名称: GLYCEROL, Gelsolin, SULFATE ION
著者Boni, F, Scalone, E, Milani, M, Eloise, M, de Rosa, M.
登録日2018-12-18
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties.
Eur.Biophys.J., 49, 2020
7UMV
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Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydropyrido[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
分子名称: 1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one, ACETATE ION, Dual specificity protein phosphatase 10
著者Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
登録日2022-04-07
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
6QBF
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Crystal structure of the pathological D187N variant of calcium-free human gelsolin.
分子名称: GLYCEROL, Gelsolin, SODIUM ION, ...
著者Scalone, E, Boni, F, Milani, M, Eloise, M, de Rosa, M.
登録日2018-12-21
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.499 Å)
主引用文献The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties.
Eur.Biophys.J., 49, 2020
6W3E
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BU of 6w3e by Molmil
Structure of phosphorylated IRE1 in complex with G-0701
分子名称: Serine/threonine-protein kinase/endoribonuclease IRE1, methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate
著者Ferri, E, Wang, W, Joachim, R, Mortara, K.
登録日2020-03-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.737 Å)
主引用文献Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
6TTC
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BU of 6ttc by Molmil
Haddock model of NDM-1/myricetin complex
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Metallo beta lactamase NDM-1, ZINC ION
著者Riviere, G, Oueslati, S, Gayral, M, Crechet, J.B, Nhiri, N, Jacquet, E, Cintrat, J.C, Giraud, F, van Heijenoort, C, Lescop, E, Pethe, S, Iorga, B.I, Naas, T, Guittet, E, Morellet, N.
登録日2019-12-26
公開日2021-01-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-beta-Lactamase-1 and on the Binding with Flavonols as Inhibitors.
Acs Omega, 5, 2020
1G7L
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CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME (HEL) COMPLEXED WITH THE MUTANT ANTI-HEL MONOCLONAL ANTIBODY D1.3 (VLW92S)
分子名称: ANTI-HEN EGG WHITE LYSOZYME MONOCLONAL ANTIBODY D1.3, LYSOZYME C
著者Sundberg, E.J, Urrutia, M, Braden, B.C, Isern, J, Mariuzza, R.A.
登録日2000-11-10
公開日2000-11-22
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Estimation of the hydrophobic effect in an antigen-antibody protein-protein interface.
Biochemistry, 39, 2000
1GNH
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HUMAN C-REACTIVE PROTEIN
分子名称: C-REACTIVE PROTEIN, CALCIUM ION
著者Shrive, A.K, Cheetham, G.M.T, Holden, D, Myles, D.A, Turnell, W.G, Volanakis, J.E, Pepys, M.B, Bloomer, A.C, Greenhough, T.J.
登録日1996-03-01
公開日1997-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Three dimensional structure of human C-reactive protein.
Nat.Struct.Biol., 3, 1996
8EC0
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III2IV respiratory supercomplex from Saccharomyces cerevisiae cardiolipin-lacking mutant
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, ...
著者Hryc, C.F, Mileykovskaya, E, Baker, M, Dowhan, W.
登録日2022-08-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into cardiolipin replacement by phosphatidylglycerol in a cardiolipin-lacking yeast respiratory supercomplex.
Nat Commun, 14, 2023
7LGV
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NMR structure of Beta-KTx14.3
分子名称: Neurotoxin beta-KTx 14.3
著者Carranza-Gonzalez, L.E, Titaux-Delgado, G.A, del Rio-Portilla, J.F.
登録日2021-01-21
公開日2022-02-09
最終更新日2023-08-23
実験手法SOLUTION NMR
主引用文献Beta-KTx14.3, a scorpion toxin, blocks the human potassium channel KCNQ1.
Biochim Biophys Acta Proteins Proteom, 1871, 2023
5N15
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First Bromodomain (BD1) from Candida albicans Bdf1 in the unbound form
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing factor 1, GLYCEROL, ...
著者Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
登録日2017-02-05
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
8H0P
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Structure of the NMB30-NMBR and Gq complex
分子名称: G-alpha q, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Li, C, Xu, Y, Liu, H, Cai, H, Xu, H.E, Yin, W.
登録日2022-09-30
公開日2023-08-09
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Molecular recognition of itch-associated neuropeptides by bombesin receptors
Cell Res., 33, 2023
6NX9
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ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 7
分子名称: ACETIC ACID, GLYCEROL, IMIDAZOLE, ...
著者Lubkowski, J, Wlodawer, A.
登録日2019-02-08
公開日2019-08-07
最終更新日2020-08-19
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019

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