4EMA
 
 | | Human peroxisome proliferator-activated receptor gamma in complex with rosiglitazone | | 分子名称: | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Peroxisome proliferator-activated receptor gamma | | 著者 | Liberato, M.V, Nascimento, A.S, Polikarpov, I. | | 登録日 | 2012-04-11 | | 公開日 | 2013-03-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.545 Å) | | 主引用文献 | Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists
Plos One, 7, 2012
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4EDA
 | | Structures of monomeric hemagglutinin and its complex with an Fab fragment of a neutralizing antibody that binds to H1 subtype influenza viruses: molecular basis of infectivity of 2009 pandemic H1N1 influenza A viruses | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | | 著者 | Kim, K.H, Cho, K.J, Lee, J.H, Park, Y.H, Khan, T.G, Lee, J.Y, Kang, S.H, Alam, I. | | 登録日 | 2012-03-27 | | 公開日 | 2013-05-22 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | | 主引用文献 | Insight into structural diversity of influenza virus haemagglutinin
J.Gen.Virol., 94, 2013
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5U4E
 | | Wild-type Transthyretin in complex with 3-[(1E)-2-(2-Chloro-4-boronic acid)ethenyl]benzoic Acid | | 分子名称: | 3-[(E)-2-(4-borono-2-chlorophenyl)ethenyl]benzoic acid, Transthyretin | | 著者 | Windsor, I.W, Smith, T.P, Raines, R.T, Forest, K.T. | | 登録日 | 2016-12-03 | | 公開日 | 2017-09-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
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5U64
 | | Camel nanobody VHH-28 | | 分子名称: | VHH-28 | | 著者 | Stanfield, R.L, Wilson, I.A. | | 登録日 | 2016-12-07 | | 公開日 | 2017-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.153 Å) | | 主引用文献 | Selection of nanobodies with broad neutralizing potential against primary HIV-1 strains using soluble subtype C gp140 envelope trimers.
Sci Rep, 7, 2017
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4ETC
 | | Lysozyme, room temperature, 24 kGy dose | | 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 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.906 Å) | | 主引用文献 | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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4ETL
 | | Crystallographic structure of phenylalanine hydroxylase from Chromobacterium violaceum F258A mutation | | 分子名称: | COBALT (II) ION, Phenylalanine-4-hydroxylase | | 著者 | Ronau, J.A, Paul, L.P, Corn, I.R, Wagner, K.T, Abu-Omar, M.M, Das, C. | | 登録日 | 2012-04-24 | | 公開日 | 2013-05-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | An additional substrate binding site in a bacterial phenylalanine hydroxylase.
Eur.Biophys.J., 42, 2013
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4D6J
 | | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A X01 mutant) | | 分子名称: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | | 登録日 | 2014-11-11 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
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4CS6
 | | Crystal structure of AadA - an aminoglycoside adenyltransferase | | 分子名称: | AMINOGLYCOSIDE ADENYLTRANSFERASE | | 著者 | Chen, Y, Nasvall, J, Andersson, D.I, Selmer, M. | | 登録日 | 2014-03-05 | | 公開日 | 2015-03-25 | | 最終更新日 | 2015-11-11 | | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | | 主引用文献 | Structure of Aada from Salmonella Enterica: A Monomeric Aminoglycoside (3'')(9) Adenyltransferase.
Acta Crystallogr.,Sect.D, 71, 2015
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5UF1
 | | Crystal Structure of Variable Lymphocyte Receptor (VLR) O13 in complex with H-trisaccharide | | 分子名称: | CHLORIDE ION, O13, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Gunn, R.J, Collins, B.C, McKitrick, T.R, Cummings, R.D, Cooper, M.D, Herrin, B.R, Wilson, I.A. | | 登録日 | 2017-01-03 | | 公開日 | 2017-10-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates.
Structure, 25, 2017
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5TOI
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4D2Q
 | | Negative-stain electron microscopy of E. coli ClpB mutant E432A (BAP form bound to ClpP) | | 分子名称: | CLPB | | 著者 | Carroni, M, Kummer, E, Oguchi, Y, Clare, D.K, Wendler, P, Sinning, I, Kopp, J, Mogk, A, Bukau, B, Saibil, H.R. | | 登録日 | 2014-05-12 | | 公開日 | 2014-06-04 | | 最終更新日 | 2017-08-23 | | 実験手法 | ELECTRON MICROSCOPY (18 Å) | | 主引用文献 | Head-to-Tail Interactions of the Coiled-Coil Domains Regulate Clpb Activity and Cooperation with Hsp70 in Protein Disaggregation.
Elife, 3, 2014
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4D9T
 | | Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate | | 分子名称: | Ribosomal protein S6 kinase alpha-3, SODIUM ION, methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate | | 著者 | Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J. | | 登録日 | 2012-01-12 | | 公開日 | 2012-04-25 | | 最終更新日 | 2012-05-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles.
Nat.Chem.Biol., 8, 2012
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5UFD
 | | Crystal Structure of Variable Lymphocyte Receptor (VLR) RBC36 (Apo) | | 分子名称: | MAGNESIUM ION, RBC36 | | 著者 | Collins, B.C, Gunn, R.J, McKitrick, T.R, Herrin, B.R, Cummings, R.D, Cooper, M.D, Wilson, I.A. | | 登録日 | 2017-01-04 | | 公開日 | 2017-10-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.696 Å) | | 主引用文献 | Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates.
Structure, 25, 2017
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3RTP
 | | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | | 分子名称: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | | 著者 | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | | 登録日 | 2011-05-03 | | 公開日 | 2013-05-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
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4MNT
 | | Crystal structure of human DJ-1 in complex with Cu | | 分子名称: | COPPER (II) ION, Protein DJ-1 | | 著者 | Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. | | 登録日 | 2013-09-11 | | 公開日 | 2014-03-05 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.584 Å) | | 主引用文献 | DJ-1 Is a Copper Chaperone Acting on SOD1 Activation.
J.Biol.Chem., 289, 2014
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4CXT
 | | BTB domain of KEAP1 in complex with CDDO | | 分子名称: | (13alpha,18alpha)-2-cyano-3-hydroxy-12-oxooleana-2,9(11)-dien-28-oic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | 著者 | Cleasby, A, Yon, J, Day, P.J, Richardson, C, Tickle, I.J, Williams, P.A, Callahan, J.F, Carr, R, Concha, N, Kerns, J.K, Qi, H, Sweitzer, T, Ward, P, Davies, T.G. | | 登録日 | 2014-04-08 | | 公開日 | 2014-06-18 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo.
Plos One, 9, 2014
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5TVY
 | | Computationally Designed Fentanyl Binder - Fen49 | | 分子名称: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Endo-1,4-beta-xylanase A | | 著者 | Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D. | | 登録日 | 2016-11-10 | | 公開日 | 2017-10-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
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3WWV
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4D72
 | | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A L19 mutant) | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, GLYCOSIDE HYDROLASE, ... | | 著者 | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | | 登録日 | 2014-11-19 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
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5U4D
 | | Wild-type Transthyretin in complex with 3-[(1E)-2-(2-Chloro-4-hydroxyphenyl)ethenyl]benzoic Acid | | 分子名称: | 3-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoic acid, Transthyretin | | 著者 | Windsor, I.W, Smith, T.P, Raines, R.T, Forest, K.T. | | 登録日 | 2016-12-03 | | 公開日 | 2017-09-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
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4MR3
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-OH) | | 分子名称: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2013-09-17 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4MQS
 | | Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo | | 分子名称: | 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, Nanobody 9-8 | | 著者 | Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K. | | 登録日 | 2013-09-16 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nature, 504, 2013
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4MR5
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-OH) | | 分子名称: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ... | | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2013-09-17 | | 公開日 | 2013-11-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4MUY
 | | IspH in complex with pyridin-4-ylmethyl diphosphate | | 分子名称: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, pyridin-4-ylmethyl trihydrogen diphosphate | | 著者 | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | | 登録日 | 2013-09-23 | | 公開日 | 2014-06-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
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5TV7
 | | 2.05 Angstrom Resolution Crystal Structure of Peptidoglycan-Binding Protein from Clostridioides difficile in Complex with Glutamine Hydroxamate. | | 分子名称: | GLUTAMINE HYDROXAMATE, Putative peptidoglycan-binding/hydrolysing protein | | 著者 | Minasov, G, Wawrzak, Z, Shuvalova, L, Winsor, J, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2016-11-08 | | 公開日 | 2016-12-14 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | 2.05 Angstrom Resolution Crystal Structure of Peptidoglycan-Binding Protein from Clostridioides difficile in Complex with Glutamine Hydroxamate.
To Be Published
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