6Z5A
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![BU of 6z5a by Molmil](/molmil-images/mine/6z5a) | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2002941 | 分子名称: | DIMETHYL SULFOXIDE, N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide, PHOSPHATE ION, ... | 著者 | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-05-26 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2002941 To Be Published
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5JZY
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![BU of 5jzy by Molmil](/molmil-images/mine/5jzy) | Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide, DIMETHYL SULFOXIDE, ... | 著者 | Sandner, A, Heine, A, Klebe, G. | 登録日 | 2016-05-17 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J.Med.Chem., 62, 2019
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6DI3
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![BU of 6di3 by Molmil](/molmil-images/mine/6di3) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND | 分子名称: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, Tyrosine-protein kinase BTK | 著者 | GARDBERG, A. | 登録日 | 2018-05-22 | 公開日 | 2018-09-05 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
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6Z0D
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6Z4Y
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![BU of 6z4y by Molmil](/molmil-images/mine/6z4y) | Crystal structure of Aurora A (STK6) in complex with macrocycle ODS2003208 | 分子名称: | 1,2-ETHANEDIOL, 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Aurora kinase A, ... | 著者 | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-05-26 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Crystal structure of Aurora A (STK6) in complex with macrocycle ODS2003208 To Be Published
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6Z56
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![BU of 6z56 by Molmil](/molmil-images/mine/6z56) | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003208 | 分子名称: | 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase haspin | 著者 | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-05-26 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003208 To Be Published
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6Z59
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![BU of 6z59 by Molmil](/molmil-images/mine/6z59) | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003816 | 分子名称: | 11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one, SODIUM ION, Serine/threonine-protein kinase haspin | 著者 | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-05-26 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003816 To Be Published
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6Z1A
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![BU of 6z1a by Molmil](/molmil-images/mine/6z1a) | Ternary complex of Staphylococcus aureus DNA gyrase with AMK12 and DNA | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Kolaric, A, Germe, T, Hrast, M, Stevenson, C.E.M, Lawson, D.M, Burton, N, Voros, J, Maxwell, A, Minovski, N, Anderluh, M. | 登録日 | 2020-05-13 | 公開日 | 2020-11-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Potent DNA gyrase inhibitors bind asymmetrically to their target using symmetrical bifurcated halogen bonds. Nat Commun, 12, 2021
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2XQV
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![BU of 2xqv by Molmil](/molmil-images/mine/2xqv) | The X-ray structure of the Zn(II) bound ZnuA from Salmonella enterica | 分子名称: | SULFATE ION, ZINC ABC TRANSPORTER, PERIPLASMIC ZINC-BINDING PROTEIN, ... | 著者 | Alaleona, F, Ilari, A, Chiancone, E, Battistoni, A, Petrarca, P. | 登録日 | 2010-09-07 | 公開日 | 2011-04-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | The X-Ray Structure of the Zinc Transporter Znua from Salmonella Enterica Discloses a Unique Triad of Zinc Coordinating Histidines. J.Mol.Biol., 409, 2011
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2Y5K
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![BU of 2y5k by Molmil](/molmil-images/mine/2y5k) | Orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase | 分子名称: | 1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFONYL-3-[4-METHOXY-6-(METHYLCARBAMOYLAMINO)PYRIDIN-2-YL]UREA, FRUCTOSE-1,6-BISPHOSPHATASE 1 | 著者 | Ruf, A, Hebeisen, P, Haap, W, Kuhn, B, Mohr, P, Wessel, H.P, Zutter, U, Kirchner, S, Benz, J, Joseph, C, Alvarez-Sanchez, R, Gubler, M, Schott, B, Benardeau, A, Tozzo, E, Kitas, E. | 登録日 | 2011-01-14 | 公開日 | 2011-05-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase. Bioorg.Med.Chem.Lett., 21, 2011
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6Z52
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![BU of 6z52 by Molmil](/molmil-images/mine/6z52) | Crystal structure of CLK3 in complex with macrocycle ODS2003136 | 分子名称: | 1,2-ETHANEDIOL, 11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, CHLORIDE ION, ... | 著者 | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-05-26 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Crystal structure of CLK3 in complex with macrocycle ODS2003136 To Be Published
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6Z5E
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![BU of 6z5e by Molmil](/molmil-images/mine/6z5e) | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004093 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one, DIMETHYL SULFOXIDE, ... | 著者 | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-05-26 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004093 To Be Published
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6PTI
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5KH6
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![BU of 5kh6 by Molmil](/molmil-images/mine/5kh6) | SETDB1 in complex with a fragment candidate | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Walker, J.R, Harding, R.J, Mader, P, Dobrovetsky, E, Dong, A, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Brown, P.J, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | 登録日 | 2016-06-14 | 公開日 | 2016-09-21 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | SETDB1 in complex with a fragment candidate To be published
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6DI9
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![BU of 6di9 by Molmil](/molmil-images/mine/6di9) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR | 分子名称: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | 著者 | GARDBERG, A. | 登録日 | 2018-05-23 | 公開日 | 2018-09-05 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
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4FPR
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![BU of 4fpr by Molmil](/molmil-images/mine/4fpr) | Structure of a fungal protein | 分子名称: | Avirulence Effector AvrLm4-7 | 著者 | Blondeau, K, Blaise, F, Graille, M, Linglin, J, Ollivier, B, Labarde, A, Doizy, A, Daverdin, G, Balesdent, M.H, Rouxel, T, van Tilbeurgh, H, Fudal, I. | 登録日 | 2012-06-22 | 公開日 | 2013-12-11 | 最終更新日 | 2022-08-03 | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | 主引用文献 | Crystal structure of the effector AvrLm4-7 of Leptosphaeria maculans reveals insights into its translocation into plant cells and recognition by resistance proteins. Plant J., 83, 2015
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6ZJF
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![BU of 6zjf by Molmil](/molmil-images/mine/6zjf) | Crystal structure of STK17B (DRAK2) in complex with AP-229 | 分子名称: | 1,2-ETHANEDIOL, 2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B | 著者 | Chaikuad, A, Picado, A, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-06-28 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation. J.Med.Chem., 63, 2020
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2Y5L
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![BU of 2y5l by Molmil](/molmil-images/mine/2y5l) | orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase | 分子名称: | FRUCTOSE-1,6-BISPHOSPHATASE 1, N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide | 著者 | ruf, a, hebeisen, p, haap, w, kuhn, b, mohr, p, wessel, h.p, zutter, u, kirchner, s, benz, j, joseph, c, alvarez-sanchez, r, gubler, m, schott, b, benardeau, a, tozzo, e, kitas, e. | 登録日 | 2011-01-14 | 公開日 | 2011-05-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase. Bioorg.Med.Chem.Lett., 21, 2011
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6YSY
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![BU of 6ysy by Molmil](/molmil-images/mine/6ysy) | Skeletal Myosin bound to MPH-220, MgADP-VO4 | 分子名称: | (9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Canon, L, Kikuti, C.M, Gyimesi, M, Malnasi-Csizmadia, A, Houdusse, A. | 登録日 | 2020-04-23 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.246 Å) | 主引用文献 | Single Residue Variation in Skeletal Muscle Myosin Enables Direct and Selective Drug Targeting for Spasticity and Muscle Stiffness. Cell, 183, 2020
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5KE2
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![BU of 5ke2 by Molmil](/molmil-images/mine/5ke2) | Crystal structure of SETDB1 Tudor domain in complex with inhibitor XST06472A | 分子名称: | (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | 著者 | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2016-06-09 | 公開日 | 2016-07-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Crystal structure of SETDB1 Tudor domain in complex with inhibitor xst06472a to be published
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7RBQ
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![BU of 7rbq by Molmil](/molmil-images/mine/7rbq) | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor | 分子名称: | 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9, ... | 著者 | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2021-07-06 | 公開日 | 2021-08-11 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor To Be Published
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6Z6C
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![BU of 6z6c by Molmil](/molmil-images/mine/6z6c) | Crystal structurel of FleA lectin in complex with a monovalent inhibitor | 分子名称: | 4-((1-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)benzyl-a-L-thiofucoside, Fucose-specific lectin, GLYCEROL, ... | 著者 | Varrot, A. | 登録日 | 2020-05-28 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Hexavalent thiofucosides to probe the role of the Aspergillus fumigatus lectin FleA in fungal pathogenicity. Org.Biomol.Chem., 19, 2021
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2YJA
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![BU of 2yja by Molmil](/molmil-images/mine/2yja) | Stapled Peptides binding to Estrogen Receptor alpha. | 分子名称: | ESTRADIOL, ESTROGEN RECEPTOR, STAPLED PEPTIDE | 著者 | Phillips, C, Roberts, L.R, Schade, M, Bazin, R, Bent, A, Davies, N.L, Irving, S.L, Moore, R, Pannifer, A.D, Brown, D.G, Pickford, A.R, Scott, A, Xu, B. | 登録日 | 2011-05-19 | 公開日 | 2011-08-03 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Design and Structure of Stapled Peptides Binding to Estrogen Receptors. J.Am.Chem.Soc., 133, 2011
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4V5K
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![BU of 4v5k by Molmil](/molmil-images/mine/4v5k) | Structure of cytotoxic domain of colicin E3 bound to the 70S ribosome | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ... | 著者 | Ng, C.L, Lang, K, Meenan, N.A.G, Sharma, A, Kelley, A.C, Kleanthous, C, Ramakrishnan, V. | 登録日 | 2010-05-29 | 公開日 | 2014-07-09 | 最終更新日 | 2019-07-31 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural Basis for 16S Ribosomal RNA Cleavage by the Cytotoxic Domain of Colicin E3. Nat.Struct.Mol.Biol., 17, 2010
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6QNE
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![BU of 6qne by Molmil](/molmil-images/mine/6qne) | |