4HCW
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1NW1
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![BU of 1nw1 by Molmil](/molmil-images/mine/1nw1) | Crystal Structure of Choline Kinase | 分子名称: | CALCIUM ION, Choline kinase (49.2 kD) | 著者 | Peisach, D, Gee, P, Kent, C, Xu, Z. | 登録日 | 2003-02-05 | 公開日 | 2003-06-10 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | The Crystal Structure of Choline Kinase Reveals a Eukaryotic Protein Kinase Fold Structure, 11, 2003
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8C77
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![BU of 8c77 by Molmil](/molmil-images/mine/8c77) | Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315 | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ... | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | 登録日 | 2023-01-12 | 公開日 | 2023-01-25 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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2X6V
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![BU of 2x6v by Molmil](/molmil-images/mine/2x6v) | Crystal structure of human TBX5 in the DNA-bound and DNA-free form | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5'-D(*TP*AP*AP*GP*GP*TP*GP*TP*GP*AP*GP)-3', 5'-D(*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP)-3', ... | 著者 | Ptchelkine, D, Stirnimann, C.U, Grimm, C, Mueller, C.W. | 登録日 | 2010-02-22 | 公開日 | 2010-04-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Basis of Tbx5-DNA Recognition: The T-Box Domain in its DNA-Bound and -Unbound Form. J.Mol.Biol., 400, 2010
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8BZV
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8C7Z
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![BU of 8c7z by Molmil](/molmil-images/mine/8c7z) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308 | 分子名称: | 1,2-ETHANEDIOL, 9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine, AMMONIUM ION, ... | 著者 | Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N. | 登録日 | 2023-01-18 | 公開日 | 2023-02-01 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308 To Be Published
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2WX5
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![BU of 2wx5 by Molmil](/molmil-images/mine/2wx5) | Hexa-coordination of a bacteriochlorophyll cofactor in the Rhodobacter sphaeroides reaction centre | 分子名称: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | 著者 | Marsh, M, Frolov, D, Crouch, L.I, Fyfe, P.K, Robert, B, van Grondelle, R, Jones, M.R, Hadfield, A.T. | 登録日 | 2009-11-02 | 公開日 | 2010-02-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | Structural and Spectroscopic Consequences of Hexa-Coordination of a Bacteriochlorophyll Cofactor in the Rhodobacter Sphaeroides Reaction Centre Biochemistry, 49, 2010
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8C7W
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![BU of 8c7w by Molmil](/molmil-images/mine/8c7w) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2304 | 分子名称: | 1,2-ETHANEDIOL, 6-methyl-9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine, Activin receptor type I, ... | 著者 | Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N. | 登録日 | 2023-01-17 | 公開日 | 2023-02-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2304 To Be Published
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8CKS
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![BU of 8cks by Molmil](/molmil-images/mine/8cks) | Crystal structure of Human Serum Albumin in complex with FESAN | 分子名称: | 3,3'-commo-bis(1,2-dicarba-3-ferra-closo-dodecaborane), DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Dolot, R.M, Kaniowski, D, Ebenryter-Olbinska, K, Szczupak, P, Suwara, J, Nawrot, B.C. | 登録日 | 2023-02-16 | 公開日 | 2023-03-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of Human Serum Albumin in complex with FESAN To Be Published
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2X7E
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![BU of 2x7e by Molmil](/molmil-images/mine/2x7e) | Crystal structure of human kinesin Eg5 in complex with (R)-fluorastrol | 分子名称: | (4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYDROXY)METHYL]-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-3,4-DIHYDROPYRIMIDINE-2(1H)-THIONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | 著者 | Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F. | 登録日 | 2010-02-26 | 公開日 | 2010-07-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol. J.Med.Chem., 53, 2010
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2X7D
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![BU of 2x7d by Molmil](/molmil-images/mine/2x7d) | Crystal structure of human kinesin Eg5 in complex with (S)-dimethylenastron | 分子名称: | (4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | 著者 | Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F. | 登録日 | 2010-02-26 | 公開日 | 2010-07-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol. J.Med.Chem., 53, 2010
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8C5M
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![BU of 8c5m by Molmil](/molmil-images/mine/8c5m) | SARS-CoV-2 nsp10-16 methyltransferase in complex with MTA | 分子名称: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Kremling, V, Sprenger, J, Oberthuer, D, Falke, S. | 登録日 | 2023-01-09 | 公開日 | 2023-03-01 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16 To Be Published
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2X7Y
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![BU of 2x7y by Molmil](/molmil-images/mine/2x7y) | P450 BM3 F87A in complex with DMSO | 分子名称: | BIFUNCTIONAL P-450/NADPH-P450 REDUCTASE, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Kuper, J, Wong, T.S, Roccatano, D, Wilmanns, M, Schwaneberg, U. | 登録日 | 2010-03-04 | 公開日 | 2011-03-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Role of Active-Site Phe87 in Modulating the Organic Co-Solvent Tolerance of Cytochrome P450 Bm3 Monooxygenase. Acta Crystallogr.,Sect.F, 68, 2012
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1O7T
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![BU of 1o7t by Molmil](/molmil-images/mine/1o7t) | Metal nanoclusters bound to the Ferric Binding Protein from Neisseria gonorrhoeae. | 分子名称: | HF OXO CLUSTER HF5, HF-OXO-PHOSPHATE CLUSTER PHF, IRON BINDING PROTEIN, ... | 著者 | Alexeev, D, Zu, H, Guo, M, Zhong, W, Hunter, D.J.B, Yang, W, Campopiano, D.J, Sadler, P.J. | 登録日 | 2002-11-12 | 公開日 | 2003-02-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | A novel protein-mineral interface. Nat. Struct. Biol., 10, 2003
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2WZY
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![BU of 2wzy by Molmil](/molmil-images/mine/2wzy) | Crystal structure of A-AChBP in complex with 13-desmethyl spirolide C | 分子名称: | 13-DESMETHYL SPIROLIDE C, SOLUBLE ACETYLCHOLINE RECEPTOR | 著者 | Bourne, Y, Radic, Z, Araoz, R, Talley, T.T, Benoit, E, Servent, D, Taylor, P, Molgo, J, Marchot, P. | 登録日 | 2009-12-03 | 公開日 | 2010-03-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Structural Determinants in Phycotoxins and Achbp Conferring High Affinity Binding and Nicotinic Achr Antagonism. Proc.Natl.Acad.Sci.USA, 107, 2010
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8C0Q
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![BU of 8c0q by Molmil](/molmil-images/mine/8c0q) | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | 分子名称: | (4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Alterio, V, De Simone, G, Esposito, D. | 登録日 | 2022-12-19 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors. Biology (Basel), 12, 2023
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8C0R
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![BU of 8c0r by Molmil](/molmil-images/mine/8c0r) | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | 分子名称: | Carbonic anhydrase 2, ZINC ION, bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide | 著者 | Alterio, V, De Simone, G, Esposito, D. | 登録日 | 2022-12-19 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors. Biology (Basel), 12, 2023
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1NOW
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![BU of 1now by Molmil](/molmil-images/mine/1now) | Human lysosomal beta-hexosaminidase isoform B in complex with (2R,3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (GalNAc-isofagomine) | 分子名称: | (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | 著者 | Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G. | 登録日 | 2003-01-16 | 公開日 | 2003-04-29 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease J.Mol.Biol., 327, 2003
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2XA3
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![BU of 2xa3 by Molmil](/molmil-images/mine/2xa3) | crystal structure of the broadly neutralizing llama VHH D7 and its mode of HIV-1 gp120 interaction | 分子名称: | LLAMA HEAVY CHAIN ANTIBODY D7, SULFATE ION | 著者 | Hinz, A, Lutje Hulsik, D, Forsman, A, Koh, W, Belrhali, H, Gorlani, A, de Haard, H, Weiss, R.A, Verrips, T, Weissenhorn, W. | 登録日 | 2010-03-29 | 公開日 | 2010-05-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of the neutralizing Llama V(HH) D7 and its mode of HIV-1 gp120 interaction. PLoS ONE, 5, 2010
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1OF3
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![BU of 1of3 by Molmil](/molmil-images/mine/1of3) | Structural and thermodynamic dissection of specific mannan recognition by a carbohydrate-binding module, TmCBM27 | 分子名称: | BETA-MANNOSIDASE, CALCIUM ION | 著者 | Boraston, A.B, Revett, T.J, Boraston, C.M, Nurizzo, D, Davies, G.J. | 登録日 | 2003-04-07 | 公開日 | 2003-04-17 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and Thermodynamic Dissection of Specific Mannan Recognition by a Carbohydrate Binding Module, Tmcbm27 Structure, 11, 2003
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8C0O
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1NVU
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![BU of 1nvu by Molmil](/molmil-images/mine/1nvu) | Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Margarit, S.M, Sondermann, H, Hall, B.E, Nagar, B, Hoelz, A, Pirruccello, M, Bar-Sagi, D, Kuriyan, J. | 登録日 | 2003-02-04 | 公開日 | 2003-04-01 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Cell(Cambridge,Mass.), 112, 2003
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1O08
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![BU of 1o08 by Molmil](/molmil-images/mine/1o08) | Structure of Pentavalent Phosphorous Intermediate of an Enzyme Catalyzed Phosphoryl transfer Reaction observed on cocrystallization with Glucose 1-phosphate | 分子名称: | 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, beta-phosphoglucomutase | 著者 | Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N. | 登録日 | 2003-02-20 | 公開日 | 2003-03-18 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction. Science, 299, 2003
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2XFO
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![BU of 2xfo by Molmil](/molmil-images/mine/2xfo) | tranylcypromine-inhibited human monoamine oxidase B Ile199Ala mutant in complex with 2-(2-benzofuranyl)-2-imidazoline | 分子名称: | 2-(2-BENZOFURANYL)-2-IMIDAZOLINE, 3-PHENYLPROPANAL, Amine oxidase [flavin-containing] B, ... | 著者 | Bonivento, D, Milczek, E.M, McDonald, G.R, Binda, C, Holt, A, Edmondson, D.E, Mattevi, A. | 登録日 | 2010-05-26 | 公開日 | 2010-10-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Potentiation of ligand binding through cooperative effects in monoamine oxidase B. J. Biol. Chem., 285, 2010
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1O25
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![BU of 1o25 by Molmil](/molmil-images/mine/1o25) | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with dUMP at 2.4 A resolution | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase thyX | 著者 | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | 登録日 | 2003-02-20 | 公開日 | 2003-06-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein Structure, 11, 2003
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