5HRZ
 
 | | Computationally Designed Trimer 1na0C3_3 | | 分子名称: | TPR domain protein 1na0C3_3 | | 著者 | Cascio, D, McNamara, D.E, Fallas, J.A, Baker, D, Yeates, T.O. | | 登録日 | 2016-01-24 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
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4V7U
 | | Crystal structure of the E. coli ribosome bound to erythromycin. | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Dunkle, J.A, Xiong, L, Mankin, A.S, Cate, J.H.D. | | 登録日 | 2010-08-15 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structures of the Escherichia coli ribosome with antibiotics bound near the peptidyl transferase center explain spectra of drug action.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4UY9
 | | Structure of MLK1 kinase domain with leucine zipper 1 | | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 9 | | 著者 | Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M. | | 登録日 | 2014-08-29 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
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4UUD
 | | Human dynamin 1 K44A superconstricted polymer stabilized with GTP | | 分子名称: | DYNAMIN-1 | | 著者 | Sundborger, A.C, Fang, S, Heymann, J.A, Ray, P, Chappie, J.S, Hinshaw, J.E. | | 登録日 | 2014-07-25 | | 公開日 | 2014-08-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (12.5 Å) | | 主引用文献 | A Dynamin Mutant Defines a Superconstricted Prefission State.
Cell Rep., 8, 2014
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4UNP
 | | Mtb TMK in complex with compound 34 | | 分子名称: | 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE | | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | 登録日 | 2014-05-30 | | 公開日 | 2015-01-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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4UNQ
 | | Mtb TMK in complex with compound 36 | | 分子名称: | 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE | | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | 登録日 | 2014-05-30 | | 公開日 | 2015-06-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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4UNS
 | | Mtb TMK in complex with compound 40 | | 分子名称: | N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE | | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | 登録日 | 2014-05-30 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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4UTU
 | | Structural and biochemical characterization of the N- acetylmannosamine-6-phosphate 2-epimerase from Clostridium perfringens | | 分子名称: | CHLORIDE ION, N-ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE, N-acetylmannosamine-6-phosphate | | 著者 | Pelissier, M.C, Sebban-Kreuzer, C, Guerlesquin, F, Brannigan, J.A, Davies, G.J, Bourne, Y, Vincent, F. | | 登録日 | 2014-07-23 | | 公開日 | 2014-10-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structural and Functional Characterization of the Clostridium Perfringens N-Acetylmannosamine-6-Phosphate 2-Epimerase Essential for the Sialic Acid Salvage Pathway
J.Biol.Chem., 289, 2014
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5I35
 | | Structure of the Human mitochondrial kinase COQ8A R611K with AMPPNP (Cerebellar Ataxia and Ubiquinone Deficiency Through Loss of Unorthodox Kinase Activity) | | 分子名称: | Atypical kinase ADCK3, mitochondrial, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Bingman, C.A, Stefely, J.A, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP) | | 登録日 | 2016-02-09 | | 公開日 | 2016-08-17 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Cerebellar Ataxia and Coenzyme Q Deficiency through Loss of Unorthodox Kinase Activity.
Mol.Cell, 63, 2016
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4V0P
 | | Crystal structure of the MAGE homology domain of human MAGE-A3 | | 分子名称: | MELANOMA-ASSOCIATED ANTIGEN 3 | | 著者 | Newman, J.A, Aitkenhead, H, Cooper, C.D.O, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2014-09-17 | | 公開日 | 2014-10-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding.
Plos One, 11, 2016
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4UYA
 | | Structure of MLK4 kinase domain with ATPgammaS | | 分子名称: | MAGNESIUM ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE MLK4, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | 著者 | Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M. | | 登録日 | 2014-08-29 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
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5IC6
 | | Crystal structure of caspase-7 DEVE peptide complex | | 分子名称: | Caspase-7 subunit p11, Caspase-7 subunit p20, DEVE peptide | | 著者 | Seaman, J.E, Julien, O, Lee, P.S, Rettenmaier, T.J, Thomsen, N.D, Wells, J.A. | | 登録日 | 2016-02-22 | | 公開日 | 2016-07-20 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Cacidases: caspases can cleave after aspartate, glutamate and phosphoserine residues.
Cell Death Differ., 23, 2016
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4UUC
 | | Crystal structure of human ASB11 ankyrin repeat domain | | 分子名称: | ANKYRIN REPEAT AND SOCS BOX PROTEIN 11 | | 著者 | Pinkas, D.M, Sanvitale, C, Kragh Nielsen, T, Guo, K, Sorrell, F, Berridge, G, Ayinampudi, V, Wang, D, Newman, J.A, Tallant, C, Chaikuad, A, Canning, P, Kopec, J, Krojer, T, Vollmar, M, Allerston, C.K, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Bullock, A. | | 登録日 | 2014-07-25 | | 公開日 | 2014-08-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of Human Asb11 Ankyrin Repeat Domain
To be Published
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5I74
 | | X-ray structure of the ts3 human serotonin transporter complexed with Br-citalopram at the central site | | 分子名称: | (1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, ... | | 著者 | Coleman, J.A, Green, E.M, Gouaux, E. | | 登録日 | 2016-02-16 | | 公開日 | 2016-04-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.395 Å) | | 主引用文献 | X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
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5I71
 | | X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site | | 分子名称: | (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, ... | | 著者 | Coleman, J.A, Green, E.M, Gouaux, E. | | 登録日 | 2016-02-16 | | 公開日 | 2016-04-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
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4UVI
 | | Discovery of pyrimidine isoxazoles InhA in complex with compound 23 | | 分子名称: | 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | | 登録日 | 2014-08-05 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
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4V0C
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4UVD
 | | Discovery of pyrimidine isoxazoles InhA in complex with compound 6 | | 分子名称: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | | 登録日 | 2014-08-05 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
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4UVH
 | | Discovery of pyrimidine isoxazoles InhA in complex with compound 10 | | 分子名称: | ACETATE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, ... | | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | | 登録日 | 2014-08-05 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
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4UWI
 | | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand | | 分子名称: | 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | 著者 | Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D. | | 登録日 | 2014-08-12 | | 公開日 | 2014-12-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
J. Med. Chem., 57, 2014
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4UWJ
 | | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a capped pyrazole sulphonamide ligand | | 分子名称: | 2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | 著者 | Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D. | | 登録日 | 2014-08-12 | | 公開日 | 2014-12-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.
J. Med. Chem., 57, 2014
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5I6X
 | | X-ray structure of the ts3 human serotonin transporter complexed with paroxetine at the central site | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | | 著者 | Coleman, J.A, Green, E.M, Gouaux, E. | | 登録日 | 2016-02-16 | | 公開日 | 2016-04-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | | 主引用文献 | X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
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5I4A
 | | X-ray crystal structure of Marinitoga piezophila Argonaute in complex with 5' OH guide RNA | | 分子名称: | Argonaute protein, RNA (5'-R(*UP*AP*UP*AP*CP*AP*AP*CP*CP*UP*AP*CP*UP*U)-3') | | 著者 | Doxzen, K.W, Kaya, E, Knoll, K.R, Wilson, R.C, Strutt, S.C, Kranzusch, P.J, Doudna, J.A. | | 登録日 | 2016-02-11 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | | 主引用文献 | A bacterial Argonaute with noncanonical guide RNA specificity.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5I5K
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4WK5
 | | Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458 | | 分子名称: | Geranyltranstransferase | | 著者 | Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Poulter, C.D, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2014-10-01 | | 公開日 | 2014-11-19 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458
To be published
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