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6EJX
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The metal ion-dependent adhesion site (MIDAS) of the alphaMbeta2 integrin Mac-1 I-domain promiscuously and competitively binds multiple ligands in the regulation of Leukocyte function
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Emsley, J, Saleem, M.
登録日2017-09-24
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of the leukocyte integrin Mac-1 I-domain interactions with the platelet glycoprotein Ib.
Blood Adv, 3, 2019
6EK7
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YaxA from Yersinia enterocolitica
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, YaxA
著者Braeuning, B, Groll, M.
登録日2017-09-25
公開日2018-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB.
Nat Commun, 9, 2018
4WIJ
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HUMAN SPLICING FACTOR, CONSTRUCT 1
分子名称: Splicing factor, proline- and glutamine-rich
著者lee, M, bond, c.s.
登録日2014-09-26
公開日2015-04-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献The structure of human SFPQ reveals a coiled-coil mediated polymer essential for functional aggregation in gene regulation.
Nucleic Acids Res., 43, 2015
6EKN
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Crystal structure of MMP12 in complex with inhibitor BE7.
分子名称: (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A.
登録日2017-09-26
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
7YP1
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Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement)
分子名称: 10E4 heavy chain, 10E4 light chain, EBV gH, ...
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
6ENT
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Structure of the rat RKIP variant delta143-146
分子名称: CHLORIDE ION, Phosphatidylethanolamine-binding protein 1, ZINC ION
著者Koelmel, W, Hirschbeck, M, Schindelin, H, Lorenz, K, Kisker, C.
登録日2017-10-06
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Conserved salt-bridge competition triggered by phosphorylation regulates the protein interactome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6EL5
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Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
分子名称: 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE, Heat shock protein HSP 90-alpha
著者Musil, D, Lehmann, M, Eggenweiler, H.-M.
登録日2017-09-27
公開日2018-05-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
7YOY
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BU of 7yoy by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement)
分子名称: 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ...
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YQ8
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Cryo-EM structure of human topoisomerase II beta in complex with DNA and etoposide
分子名称: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, 50-mer DNA, DNA topoisomerase 2-beta, ...
著者Naganuma, M, Ehara, H, Kim, D, Nakagawa, R, Cong, A, Bu, H, Jeong, J, Jang, J, Schellenberg, M.J, Bunch, H, Sekine, S.
登録日2022-08-05
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献ERK2-topoisomerase II regulatory axis is important for gene activation in immediate early genes.
Nat Commun, 14, 2023
7YP2
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BU of 7yp2 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement)
分子名称: 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
6EP3
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BU of 6ep3 by Molmil
Lar controls the expression of the Listeria monocytogenes agr system and mediates virulence.
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lmo0651 protein, ...
著者Pinheiro, J, Lisboa, J, Carvalho, F, Carreaux, A, Santos, N, Cabral, J, Sousa, S, Cabanes, D.
登録日2017-10-10
公開日2018-07-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献MouR controls the expression of the Listeria monocytogenes Agr system and mediates virulence.
Nucleic Acids Res., 46, 2018
4WL3
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Crystal structure determination of Bile Salt Hydrolase from Enterococcus feacalis
分子名称: Bile salt hydrolase
著者Ramasamy, S, Chand, D, Suresh, C.G.
登録日2014-10-06
公開日2015-11-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structure determination of Bile Salt Hydrolase from Enterococcus feacalis
To Be Published
4WLN
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BU of 4wln by Molmil
Crystal structure of apo MDH2
分子名称: Malate dehydrogenase, mitochondrial, PHOSPHATE ION
著者Eo, Y.M, Han, B.G, Ahn, H.C.
登録日2014-10-07
公開日2015-11-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of apo MDH2
To Be Published
6EPB
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BU of 6epb by Molmil
Structure of Chitinase 42 from Trichoderma harzianum
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Endochitinase 42, ...
著者Ramirez-Escudero, M, Jimenez-Ortega, E, Sanz-Aparicio, J.
登録日2017-10-11
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Use of chitin and chitosan to produce new chitooligosaccharides by chitinase Chit42: enzymatic activity and structural basis of protein specificity.
Microb. Cell Fact., 17, 2018
7YOC
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BU of 7yoc by Molmil
Crystal structure of Fhb7
分子名称: Fhb7
著者Yang, J, Liang, K, Xiao, J.Y, Lei, X.G.
登録日2022-08-01
公開日2024-02-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Enzymatic Degradation of Deoxynivalenol with the Engineered Detoxification Enzyme Fhb7.
Jacs Au, 4, 2024
4WML
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BU of 4wml by Molmil
Crystal structure of Saccharomyces cerevisiae OMP synthase in complex with PRP(CH2)P
分子名称: 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, Orotate phosphoribosyltransferase 1
著者Bang, M.B, Molich, U, Hansen, M.R, Grubmeyer, C, Harris, P.
登録日2014-10-09
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure of Saccharomyces cerevisia OMP synthase in complex with PRP(CH2)P
To Be Published
6EPH
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Structure of the epsilon_1 / zeta_1 antitoxin toxin system from Neisseria gonorrhoeae in complex with UNAM.
分子名称: (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, CITRATE ANION, Epsilon_1 antitoxin, ...
著者Rocker, A, Meinhart, A.
登録日2017-10-11
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The ng_ zeta 1 toxin of the gonococcal epsilon/zeta toxin/antitoxin system drains precursors for cell wall synthesis.
Nat Commun, 9, 2018
6ENP
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BU of 6enp by Molmil
Atomic resolution structure of human RNase 6 in the presence of phosphate anions in P21 space group.
分子名称: CHLORIDE ION, PHOSPHATE ION, Ribonuclease K6, ...
著者Prats-Ejarque, G, Moussaoui, M, Boix, E.
登録日2017-10-05
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.042 Å)
主引用文献Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates.
Biochim Biophys Acta Gen Subj, 1863, 2019
4WG1
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Room temperature crystal structure of lysozyme determined by serial synchrotron crystallography (micro focused beam - crystFEL)
分子名称: CHLORIDE ION, Lysozyme C
著者Coquelle, N, Brewster, A.S, Kapp, U, Shilova, A, Weimhausen, B, Sauter, N.K, Burghammer, M, Colletier, J.P.
登録日2014-09-17
公開日2015-05-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
6EPR
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BU of 6epr by Molmil
The ATAD2 bromodomain in complex with compound UZH-DS15
分子名称: (~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Sledz, P, Caflisch, A.
登録日2017-10-12
公開日2018-10-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers
To Be Published
6EPT
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BU of 6ept by Molmil
The ATAD2 bromodomain in complex with compound 12
分子名称: (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide, (2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, ...
著者Sledz, P, Caflisch, A.
登録日2017-10-12
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6ENV
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BU of 6env by Molmil
X-ray structure of Au2phen-encapsulated horse spleen apoferritin
分子名称: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
著者Ferraro, G, Merlino, A.
登録日2017-10-06
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Ferritin nanocages loaded with gold ions induce oxidative stress and apoptosis in MCF-7 human breast cancer cells.
Dalton Trans, 46, 2017
4WGF
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BU of 4wgf by Molmil
YcaC from Pseudomonas aeruginosa with hexane-2,5-diol and covalent acrylamide
分子名称: (2R,5R)-hexane-2,5-diol, CHLORIDE ION, PROPIONAMIDE, ...
著者Groftehauge, M.K, Truan, D, Vasil, A, Denny, P.W, Vasil, M.L, Pohl, E.
登録日2014-09-18
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.34020686 Å)
主引用文献Crystal Structure of a Hidden Protein, YcaC, a Putative Cysteine Hydrolase from Pseudomonas aeruginosa, with and without an Acrylamide Adduct.
Int J Mol Sci, 16, 2015
6EO8
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BU of 6eo8 by Molmil
Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor
分子名称: DIMETHYL SULFOXIDE, Hirudin variant-2, N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide, ...
著者Belviso, B.D, Caliandro, R, Aresta, B.M, De Candia, M, Altomare, C.D.
登録日2017-10-09
公開日2017-12-13
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties.
J. Med. Chem., 57, 2014
6ER0
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BU of 6er0 by Molmil
6th KOW domain of human hSpt5
分子名称: Transcription elongation factor SPT5
著者Hahn, L, Schweimer, K, Roesch, P, Woehrl, B.M.
登録日2017-10-16
公開日2018-10-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and nucleic acid binding properties of KOW domains 4 and 6-7 of human transcription elongation factor DSIF.
Sci Rep, 8, 2018

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