5C79
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![BU of 5c79 by Molmil](/molmil-images/mine/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
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![BU of 6lev by Molmil](/molmil-images/mine/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
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![BU of 6u3y by Molmil](/molmil-images/mine/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
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![BU of 2rjm by Molmil](/molmil-images/mine/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
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![BU of 5c3h by Molmil](/molmil-images/mine/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
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![BU of 5c3l by Molmil](/molmil-images/mine/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
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![BU of 6kuw by Molmil](/molmil-images/mine/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
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![BU of 5c7a by Molmil](/molmil-images/mine/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
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![BU of 5cbt by Molmil](/molmil-images/mine/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
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![BU of 6l97 by Molmil](/molmil-images/mine/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
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![BU of 6u07 by Molmil](/molmil-images/mine/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
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![BU of 1nxq by Molmil](/molmil-images/mine/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
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![BU of 6ucn by Molmil](/molmil-images/mine/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
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![BU of 6u1y by Molmil](/molmil-images/mine/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
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![BU of 5bz3 by Molmil](/molmil-images/mine/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
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![BU of 5c2u by Molmil](/molmil-images/mine/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
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![BU of 6xtf by Molmil](/molmil-images/mine/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
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![BU of 6uf7 by Molmil](/molmil-images/mine/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
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![BU of 6uf8 by Molmil](/molmil-images/mine/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
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![BU of 6u49 by Molmil](/molmil-images/mine/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
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![BU of 6l6o by Molmil](/molmil-images/mine/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
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![BU of 6xz1 by Molmil](/molmil-images/mine/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
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![BU of 6ufu by Molmil](/molmil-images/mine/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
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![BU of 6lgx by Molmil](/molmil-images/mine/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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