5DDC
| Menin in complex with MI-2-3 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-24 | 公開日 | 2016-07-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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3ZKN
| BACE2 FAB INHIBITOR COMPLEX | 分子名称: | 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2, DIMETHYL SULFOXIDE, ... | 著者 | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | 登録日 | 2013-01-23 | 公開日 | 2013-05-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones Acta Crystallogr.,Sect.D, 69, 2013
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5DDA
| Menin in complex with MI-333 | 分子名称: | 1,2-ETHANEDIOL, 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-24 | 公開日 | 2015-09-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5DDJ
| Crystal structure of recombinant foot-and-mouth-disease virus O1M-S2093Y empty capsid | 分子名称: | Foot and mouth disease virus, VP1, VP2, ... | 著者 | Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, Perez-Martin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I. | 登録日 | 2015-08-25 | 公開日 | 2015-09-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Structure-based energetics of protein interfaces guides foot-and-mouth disease virus vaccine design. Nat.Struct.Mol.Biol., 22, 2015
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4ET8
| Hen egg-white lysozyme solved from 40 fs free-electron laser pulse data | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | 著者 | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | 登録日 | 2012-04-24 | 公開日 | 2012-06-13 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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4AJ2
| rat LDHA in complex with 5-(2-chlorophenyl)-1H-tetrazole | 分子名称: | 5-(2-CHLOROPHENYL)-1H-TETRAZOLE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Frazer, M. | 登録日 | 2012-02-15 | 公開日 | 2012-03-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJE
| rat LDHA in complex with 2-(4-bromophenoxy)propanedioic acid | 分子名称: | 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Pearson, S. | 登録日 | 2012-02-16 | 公開日 | 2012-03-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJO
| rat LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol-6yl) amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Caputo, A, Pearson, S. | 登録日 | 2012-02-16 | 公開日 | 2012-03-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJL
| rat LDHA in complex with 3-(ethylcarbamoylamino)-N-(2-methyl-1,3- benzothiazol-6-yl)propanamide | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Addie, M, Ferguson, A. | 登録日 | 2012-02-16 | 公開日 | 2012-03-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AL4
| rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)3-oxo-propyl)carbamoylamino)ethoxy)phenyl)methylpropanedioic acid | 分子名称: | 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Ward, R, Tart, J, Davies, G, Hohson, M, Pearson, S. | 登録日 | 2012-03-01 | 公開日 | 2012-03-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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5DDF
| Menin in complex with MI-273 | 分子名称: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | 登録日 | 2015-08-24 | 公開日 | 2015-09-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5DDS
| Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PLP | 分子名称: | ACETIC ACID, CrmG, GLYCEROL, ... | 著者 | Xu, J, Feng, Z, Liu, J. | 登録日 | 2015-08-25 | 公開日 | 2016-08-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis Acs Chem.Biol., 11, 2016
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4AJK
| rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide | 分子名称: | GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ... | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Greenwood, R. | 登録日 | 2012-02-16 | 公開日 | 2012-03-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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3ARE
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5DID
| Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a difluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol | 分子名称: | (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | 登録日 | 2015-08-31 | 公開日 | 2016-05-04 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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3ARF
| Ternary crystal structure of the mouse NKT TCR-CD1d-C20:2 | 分子名称: | (11Z,14E)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Wun, K.S, Rossjohn, J. | 登録日 | 2010-11-27 | 公開日 | 2011-03-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A molecular basis for the exquisite CD1d-restricted antigen specificity and functional responses of natural killer T cells Immunity, 34, 2011
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4BBE
| Aminoalkylpyrimidine Inhibitor Complexes with JAK2 | 分子名称: | N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide, TYROSINE-PROTEIN KINASE JAK2 | 著者 | Li, J. | 登録日 | 2012-09-21 | 公開日 | 2012-11-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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1LWE
| CRYSTAL STRUCTURE OF M41L/T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMN) IN COMPLEX WITH NEVIRAPINE | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | 著者 | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | 登録日 | 2002-05-31 | 公開日 | 2002-10-30 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215. J.Virol., 76, 2002
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3AE7
| Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-(3-isopropoxy-phenyl)-benzamide | 分子名称: | 2-iodo-N-[3-(1-methylethoxy)phenyl]benzamide, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | 著者 | Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K. | 登録日 | 2010-02-04 | 公開日 | 2011-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.62 Å) | 主引用文献 | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria Int J Mol Sci, 16, 2015
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4ETB
| lysozyme, room temperature, 200 kGy dose | 分子名称: | CHLORIDE ION, Lysozyme C | 著者 | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | 登録日 | 2012-04-24 | 公開日 | 2012-06-13 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.908 Å) | 主引用文献 | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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2FLI
| The crystal structure of D-ribulose 5-phosphate 3-epimerase from Streptococus pyogenes complexed with D-xylitol 5-phosphate | 分子名称: | D-XYLITOL-5-PHOSPHATE, ZINC ION, ribulose-phosphate 3-epimerase | 著者 | Fedorov, A.A, Fedorov, E.V, Akana, J, Gerlt, J.A, Almo, S.C. | 登録日 | 2006-01-06 | 公開日 | 2006-03-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | d-Ribulose 5-Phosphate 3-Epimerase: Functional and Structural Relationships to Members of the Ribulose-Phosphate Binding (beta/alpha)(8)-Barrel Superfamily(,). Biochemistry, 45, 2006
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4ETE
| Lysozyme, room-temperature, rotating anode, 0.0021 MGy | 分子名称: | CHLORIDE ION, Lysozyme C | 著者 | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | 登録日 | 2012-04-24 | 公開日 | 2012-06-13 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | 主引用文献 | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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2FEY
| The structure of stem loop IV of Tetrahymena telomerase RNA | 分子名称: | stem-loop IV of Tetrahymena telomerase RNA | 著者 | Chen, Y, Fender, J, Legassie, J.D, Jarstfer, M.B, Bryan, T.M, Varani, G. | 登録日 | 2005-12-16 | 公開日 | 2006-06-27 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of stem-loop IV of Tetrahymena telomerase RNA. Embo J., 25, 2006
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1XDD
| X-ray structure of LFA-1 I-domain in complex with LFA703 at 2.2A resolution | 分子名称: | 8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)-6-METHOXY-2-NAPHTHYL]METHYL}-6-OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL 2-METHYLBUTANOATE, Integrin alpha-L, MAGNESIUM ION | 著者 | Weitz-Schmidt, G, Welzenbach, K, Dawson, J, Kallen, J. | 登録日 | 2004-09-06 | 公開日 | 2004-09-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Improved lymphocyte function-associated antigen-1 (LFA-1) inhibition by statin derivatives: molecular basis determined by x-ray analysis and monitoring of LFA-1 conformational changes in vitro and ex vivo J.Biol.Chem., 279, 2004
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3CFF
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