5TSV
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5TUT
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5TXU
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![BU of 5txu by Molmil](/molmil-images/mine/5txu) | 1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (SpoIID) from Clostridium difficile in Apo Conformation | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Nocadello, S, Minasov, G, Kiryukhina, O, Shuvalova, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2016-11-17 | 公開日 | 2016-12-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | 1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (SpoIID) from Clostridium difficile in Apo Conformation To Be Published
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5TYA
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![BU of 5tya by Molmil](/molmil-images/mine/5tya) | Identification of a New Zinc Binding Chemotype by Fragment Screening | 分子名称: | (5R)-5-phenyl-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | 著者 | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | 登録日 | 2016-11-18 | 公開日 | 2017-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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7N8P
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7N9W
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3N14
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![BU of 3n14 by Molmil](/molmil-images/mine/3n14) | XenA - W358A | 分子名称: | (R,R)-2,3-BUTANEDIOL, FLAVIN MONONUCLEOTIDE, SULFATE ION, ... | 著者 | Dobbek, H, Spiegelhauer, O. | 登録日 | 2010-05-15 | 公開日 | 2010-09-22 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Determinants of substrate binding and protonation in the flavoenzyme xenobiotic reductase A J.Mol.Biol., 403, 2010
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7O2I
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![BU of 7o2i by Molmil](/molmil-images/mine/7o2i) | METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM2457 | 分子名称: | DIMETHYL SULFOXIDE, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ... | 著者 | Pilka, E.S, Blackaby, W, Hardick, D, Harper, C, Hewstone, D, Ridgill, M, Rotty, B, Rausch, O. | 登録日 | 2021-03-30 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Small-molecule inhibition of METTL3 as a strategy against myeloid leukaemia. Nature, 593, 2021
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3N08
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![BU of 3n08 by Molmil](/molmil-images/mine/3n08) | Crystal Structure of a Putative PhosphatidylEthanolamine-Binding Protein (PEBP) Homolog CT736 from Chlamydia trachomatis D/UW-3/CX | 分子名称: | CALCIUM ION, CHLORIDE ION, Putative PhosphatidylEthanolamine-Binding Protein (PEBP) | 著者 | Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2010-05-13 | 公開日 | 2010-07-14 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | 1.25 Angstrom Crystal Structure of a Putative PhosphatidylEthanolamine-Binding Protein (PEBP) Homolog CT736 from Chlamydia trachomatis D/UW-3/CX To be Published
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5WM1
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![BU of 5wm1 by Molmil](/molmil-images/mine/5wm1) | Structure of the 10S (+)-trans-BP-dG modified Rev1 ternary complex | 分子名称: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ... | 著者 | Rechkoblit, O, Kolbanovsky, A, Landes, H, Geacintov, N.E, Aggarwal, A.K. | 登録日 | 2017-07-28 | 公開日 | 2017-10-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Mechanism of error-free replication across benzo[a]pyrene stereoisomers by Rev1 DNA polymerase. Nat Commun, 8, 2017
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7OFU
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![BU of 7ofu by Molmil](/molmil-images/mine/7ofu) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester | 分子名称: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | 著者 | Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | 登録日 | 2021-05-05 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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3MY0
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![BU of 3my0 by Molmil](/molmil-images/mine/3my0) | Crystal structure of the ACVRL1 (ALK1) kinase domain bound to LDN-193189 | 分子名称: | 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Serine/threonine-protein kinase receptor R3 | 著者 | Chaikuad, A, Alfano, I, Cooper, C, Mahajan, P, Daga, N, Sanvitale, C, Fedorov, O, Petrie, K, Savitsky, P, Gileadi, O, Sethi, R, Krojer, T, Muniz, J.R.C, Pike, A.C.W, Vollmar, M, Carpenter, C.P, Ugochukwu, E, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | 登録日 | 2010-05-08 | 公開日 | 2010-07-21 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | A small molecule targeting ALK1 prevents Notch cooperativity and inhibits functional angiogenesis. Angiogenesis, 18, 2015
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7OFS
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![BU of 7ofs by Molmil](/molmil-images/mine/7ofs) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol | 分子名称: | 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ... | 著者 | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | 登録日 | 2021-05-05 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFT
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![BU of 7oft by Molmil](/molmil-images/mine/7oft) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde | 分子名称: | CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ... | 著者 | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | 登録日 | 2021-05-05 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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3N0L
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![BU of 3n0l by Molmil](/molmil-images/mine/3n0l) | Crystal structure of serine hydroxymethyltransferase from Campylobacter jejuni | 分子名称: | SULFATE ION, Serine hydroxymethyltransferase | 著者 | Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Hasseman, J, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2010-05-14 | 公開日 | 2010-05-26 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of serine hydroxymethyltransferase from Campylobacter jejuni TO BE PUBLISHED
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3NKN
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![BU of 3nkn by Molmil](/molmil-images/mine/3nkn) | Crystal structure of mouse autotaxin in complex with 14:0-LPA | 分子名称: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O. | 登録日 | 2010-06-20 | 公開日 | 2011-01-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of autotaxin and insight into GPCR activation by lipid mediators Nat.Struct.Mol.Biol., 18, 2011
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5XIC
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![BU of 5xic by Molmil](/molmil-images/mine/5xic) | Crystal Structure of HasAp with Fe-5,10,15-triphenylporphyrin | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 5,10,15-Triphenylporphyrin cpntaining FE, Heme acquisition protein HasAp | 著者 | Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2017-04-26 | 公開日 | 2017-12-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group Angew. Chem. Int. Ed. Engl., 56, 2017
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5XKB
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![BU of 5xkb by Molmil](/molmil-images/mine/5xkb) | Crystal Structure of HasAp with Fe-5,15-bisethynyl-10,20-diphenylporphyrin | 分子名称: | 5,15-Bisethynyl-10,20-diphenylporphyrin containing FE, Heme acquisition protein HasAp | 著者 | Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2017-05-06 | 公開日 | 2017-12-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group Angew. Chem. Int. Ed. Engl., 56, 2017
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5XPR
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![BU of 5xpr by Molmil](/molmil-images/mine/5xpr) | Human endothelin receptor type-B in complex with antagonist bosentan | 分子名称: | 4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide, Endothelin B receptor,Endolysin,Endothelin B receptor, SULFATE ION | 著者 | Shihoya, W, Nishizawa, T, Yamashita, K, Hirata, K, Okuta, A, Tani, K, Fujiyoshi, Y, Doi, T, Nureki, O. | 登録日 | 2017-06-04 | 公開日 | 2017-08-16 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | X-ray structures of endothelin ETB receptor bound to clinical antagonist bosentan and its analog Nat. Struct. Mol. Biol., 24, 2017
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5XSZ
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![BU of 5xsz by Molmil](/molmil-images/mine/5xsz) | Crystal structure of zebrafish lysophosphatidic acid receptor LPA6 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lysophosphatidic acid receptor 6a,Endolysin,Lysophosphatidic acid receptor 6a | 著者 | Taniguchi, R, Nishizawa, T, Ishitani, R, Nureki, O. | 登録日 | 2017-06-16 | 公開日 | 2017-08-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural insights into ligand recognition by the lysophosphatidic acid receptor LPA6 Nature, 548, 2017
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5XH7
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![BU of 5xh7 by Molmil](/molmil-images/mine/5xh7) | Crystal structure of the Acidaminococcus sp. BV3L6 Cpf1 RR variant in complex with crRNA and target DNA (TCCA PAM) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, CRISPR-associated endonuclease Cpf1, ... | 著者 | Nishimasu, H, Yamano, T, Ishitani, R, Nureki, O. | 登録日 | 2017-04-19 | 公開日 | 2017-06-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Basis for the Altered PAM Recognition by Engineered CRISPR-Cpf1 Mol. Cell, 67, 2017
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3L2B
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![BU of 3l2b by Molmil](/molmil-images/mine/3l2b) | Crystal structure of the CBS and DRTGG domains of the regulatory region of Clostridium perfringens pyrophosphatase complexed with activator, diadenosine tetraphosphate | 分子名称: | BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Probable manganase-dependent inorganic pyrophosphatase | 著者 | Tuominen, H, Salminen, A, Oksanen, E, Jamsen, J, Heikkila, O, Lehtio, L, Magretova, N.N, Goldman, A, Baykov, A.A, Lahti, R. | 登録日 | 2009-12-15 | 公開日 | 2010-04-21 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Crystal Structures of the CBS and DRTGG Domains of the Regulatory Region of Clostridiumperfringens Pyrophosphatase Complexed with the Inhibitor, AMP, and Activator, Diadenosine Tetraphosphate. J.Mol.Biol., 2010
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5XA3
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![BU of 5xa3 by Molmil](/molmil-images/mine/5xa3) | Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine | 分子名称: | Bifunctional cytochrome P450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PHENYLALANINE, ... | 著者 | Shoji, O, Yanagisawa, S, Stanfield, J.K, Suzuki, K, Kasai, C, Cong, Z, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2017-03-10 | 公開日 | 2018-02-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Direct Hydroxylation of Benzene to Phenol by Cytochrome P450BM3 Triggered by Amino Acid Derivatives. Angew. Chem. Int. Ed. Engl., 56, 2017
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3KHG
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![BU of 3khg by Molmil](/molmil-images/mine/3khg) | Dpo4 extension ternary complex with misinserted A opposite the 2-aminofluorene-guanine [AF]G lesion | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-AMINOFLUORENE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Rechkoblit, O, Malinina, L, Patel, D.J. | 登録日 | 2009-10-30 | 公開日 | 2010-02-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | 主引用文献 | Mechanism of error-free and semitargeted mutagenic bypass of an aromatic amine lesion by Y-family polymerase Dpo4. Nat.Struct.Mol.Biol., 17, 2010
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3KUD
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![BU of 3kud by Molmil](/molmil-images/mine/3kud) | Complex of Ras-GDP with RafRBD(A85K) | 分子名称: | GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Filchtinski, D, Sharabi, O, Rueppel, A, Vetter, I.R, Herrmann, C, Shifman, J.M. | 登録日 | 2009-11-27 | 公開日 | 2010-03-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | What makes Ras an efficient molecular switch: a computational, biophysical, and structural study of Ras-GDP interactions with mutants of Raf. J.Mol.Biol., 399, 2010
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