5C79
 
 | | PH domain of ASAP1 in complex with diC4-PtdIns(4,5)P2 | | 分子名称: | (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE, Arf-GAP, CHLORIDE ION | | 著者 | Xia, D, Tang, W.K. | | 登録日 | 2015-06-24 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Molecular Basis for Cooperative Binding of Anionic Phospholipids to the PH Domain of the Arf GAP ASAP1.
Structure, 23, 2015
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6LEV
 | | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 46 and NADPH | | 分子名称: | 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Vanichtanankul, J, Vitsupakorn, D. | | 登録日 | 2019-11-27 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.644 Å) | | 主引用文献 | Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
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6KPR
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6U3Y
 | | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | | 分子名称: | ACETATE ION, Gamma-hemolysin subunit A, Panton-Valentine Leucocidin F, ... | | 著者 | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | | 登録日 | 2019-08-22 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
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2RJM
 | | 3Ig structure of titin domains I67-I69 E-to-A mutated variant | | 分子名称: | Titin | | 著者 | von Castelmur, E, Marino, M, Labeit, D, Labeit, S, Mayans, O. | | 登録日 | 2007-10-15 | | 公開日 | 2008-01-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A regular pattern of Ig super-motifs defines segmental flexibility as the elastic mechanism of the titin chain
Proc.Natl.Acad.Sci.Usa, 105, 2008
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5C3H
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 1 | | 分子名称: | 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | 登録日 | 2015-06-17 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5C3L
 | | Structure of the metazoan Nup62.Nup58.Nup54 nucleoporin complex. | | 分子名称: | Nanobody Nb15, Nucleoporin Nup58, Nucleoporin Nup62, ... | | 著者 | Chug, H, Trakhanov, S, Hulsmann, B.B, Pleiner, T, Gorlich, D. | | 登録日 | 2015-06-17 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of the metazoan Nup62Nup58Nup54 nucleoporin complex.
Science, 350, 2015
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6KUW
 | | Crystal structure of human alpha2C adrenergic G protein-coupled receptor. | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine, Alpha-2C adrenergic receptor, ... | | 著者 | Chen, X.Y, Wu, L.J, Wu, D, Zhong, G.S. | | 登録日 | 2019-09-02 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of human alpha2C adrenergic G protein-coupled receptor.
To Be Published
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5C7A
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 7 | | 分子名称: | (2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | 登録日 | 2015-06-24 | | 公開日 | 2015-08-12 | | 最終更新日 | 2015-09-09 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5CBT
 | | Human Cyclophilin D Complexed with Inhibitor | | 分子名称: | 1,2-ETHANEDIOL, FORMIC ACID, POTASSIUM ION, ... | | 著者 | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | | 登録日 | 2015-07-01 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Human Cyclophilin D Complexed with Inhibitor
To Be Published
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6L97
 | | Complex of DNA polymerase IV and L-DNA duplex | | 分子名称: | DNA (5'-D(*(0DG)P*(0DG)P*(0DG)P*(0DG)P*(0DG)P*(0DA)P*(0DA)P*(0DG)P*(0DG)P*(0DA)P*(0DT)P*(0DT)P*(0DC)P*(0DC))-3'), DNA (5'-D(P*(0DG)P*(0DG)P*(0DA)P*(0DA)P*(0DT)P*(0DC)P*(0DC)P*(0DT)P*(0DT)P*(0DC)P*(0DC)P*(0DC)P*(0DC)P*(0DC))-3'), DNA polymerase IV | | 著者 | Chung, H.S, An, J, Hwang, D. | | 登録日 | 2019-11-08 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.362 Å) | | 主引用文献 | The crystal structure of a natural DNA polymerase complexed with mirror DNA.
Chem.Commun.(Camb.), 56, 2020
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6U07
 | | Computational Stabilization of T Cell Receptor Constant Domains | | 分子名称: | MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta) | | 著者 | Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J. | | 登録日 | 2019-08-13 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
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1NXQ
 | | Crystal Structure of R-alcohol dehydrogenase (RADH) (apoenyzme) from Lactobacillus brevis | | 分子名称: | MAGNESIUM ION, R-alcohol dehydrogenase | | 著者 | Niefind, K, Muller, J, Riebel, B, Hummel, W, Schomburg, D. | | 登録日 | 2003-02-11 | | 公開日 | 2003-04-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | The crystal structure of R-specific alcohol dehydrogenase from Lactobacillus brevis suggests the structural basis of its metal dependency
J.Mol.Biol., 327, 2003
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6UCN
 | | Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 250 K | | 分子名称: | CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ... | | 著者 | Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S. | | 登録日 | 2019-09-16 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6U1Y
 | | bcs1 AAA domain | | 分子名称: | MAGNESIUM ION, Mitochondrial chaperone BCS1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Tang, W.K, Xia, D. | | 登録日 | 2019-08-17 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein.
Nat.Struct.Mol.Biol., 27, 2020
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5BZ3
 | | CRYSTAL STRUCTURE OF SODIUM PROTON ANTIPORTER NAPA IN OUTWARD-FACING CONFORMATION. | | 分子名称: | (2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE, Na(+)/H(+) antiporter | | 著者 | Coincon, M, Uzdavinys, P, Emmanuel, N, Cameron, A, Drew, D. | | 登録日 | 2015-06-11 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structures reveal the molecular basis of ion translocation in sodium/proton antiporters.
Nat.Struct.Mol.Biol., 23, 2016
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5C2U
 | | Ferredoxin-like domain of nucleoporin Nup54 bound to a nanobody | | 分子名称: | Nanobody, Nup54 | | 著者 | Chug, H, Trakhanov, S, Hulsmann, B.B, Pleiner, T, Gorlich, D. | | 登録日 | 2015-06-16 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Crystal structure of the metazoan Nup62Nup58Nup54 nucleoporin complex.
Science, 350, 2015
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6XTF
 | | Crystal structure a Thioredoxin Reductase from Gloeobacter violaceus bound to its electron donor | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Buey, R.M, Gonzalez-Holgado, G, Fernandez-Justel, D, Balsera, M. | | 登録日 | 2020-01-16 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Unexpected diversity of ferredoxin-dependent thioredoxin reductases in cyanobacteria.
Plant Physiol., 186, 2021
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6UF7
 | | S2 symmetric peptide design number 5, Uncle Fester | | 分子名称: | S2-5, Uncle Fester | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-23 | | 公開日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (0.8 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UF8
 | | S2 symmetric peptide design number 6, London Bridge | | 分子名称: | S2-6, London Bridge | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-23 | | 公開日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (0.8 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6U49
 | | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | | 分子名称: | Alpha-hemolysin, SULFATE ION, fos-choline-14 | | 著者 | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | | 登録日 | 2019-08-23 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
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6L6O
 | | Crystal structure of stabilized Rab5a GTPase domain from Leishmania donovani | | 分子名称: | ACETATE ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Arora, A, Zohib, M, Biswal, B.K, Maheshwari, D, Pal, R.K. | | 登録日 | 2019-10-29 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of the GDP-bound GTPase domain of Rab5a from Leishmania donovani.
Acta Crystallogr.,Sect.F, 76, 2020
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6XZ1
 | | Conjugate of the HECT domain of HUWE1 with ubiquitin | | 分子名称: | HECT, UBA and WWE domain containing 1, isoform CRA_a, ... | | 著者 | Liu, B, Seenivasan, A, Nair, R, Chen, D, Lowe, E.D, Lorenz, S. | | 登録日 | 2020-01-31 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Reconstitution and Structural Analysis of a HECT Ligase-Ubiquitin Complex via an Activity-Based Probe.
Acs Chem.Biol., 16, 2021
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6UFU
 | | C2 symmetric peptide design number 1, Zappy, crystal form 1 | | 分子名称: | C2-1, Zappy, crystal form 1 | | 著者 | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | 登録日 | 2019-09-25 | | 公開日 | 2020-12-02 | | 実験手法 | X-RAY DIFFRACTION (1.101 Å) | | 主引用文献 | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6LGX
 | | Structure of Rabies virus glycoprotein at basic pH | | 分子名称: | Glycoprotein,Glycoprotein,Glycoprotein | | 著者 | Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W. | | 登録日 | 2019-12-06 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.097 Å) | | 主引用文献 | Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody.
Cell Host Microbe, 27, 2020
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