4L52
 
 | | Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1 | | 分子名称: | 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera | | 著者 | Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M. | | 登録日 | 2013-06-10 | | 公開日 | 2013-07-03 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
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6E4L
 | | The structure of the N-terminal domain of human clathrin heavy chain 1 (nTD) in complex with ES9 | | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide, ACETATE ION, ... | | 著者 | Dejonghe, W, Sharma, I, Denoo, B, Munck, S.D, Bulut, H, Mylle, E, Vasileva, M, Lu, Q, Savatin, D.V, Mishev, K, Nerinckx, W, Staes, A, Drozdzecki, A, Audenaert, D, Madder, A, Friml, J, Damme, D.V, Gevaert, K, Haucke, V, Savvides, S, Winne, J, Russinova, E. | | 登録日 | 2018-07-17 | | 公開日 | 2019-04-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Disruption of endocytosis through chemical inhibition of clathrin heavy chain function.
Nat.Chem.Biol., 15, 2019
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6XWZ
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1YNB
 | | crystal structure of genomics APC5600 | | 分子名称: | hypothetical protein AF1432 | | 著者 | Dong, A, Skarina, T, Savchenko, A, Pai, E.F, Joachimiak, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2005-01-24 | | 公開日 | 2005-03-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Crystal structure of genomics AF1432 by Sulfur SAD methods
To be Published
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5MGD
 | | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-Galactosyl-lactose | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | | 登録日 | 2016-11-21 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages.
FEBS J., 284, 2017
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4AH7
 | | Structure of Wild Type Stapylococcus aureus N-acetylneuraminic acid lyase in complex with pyruvate | | 分子名称: | N-ACETYLNEURAMINATE LYASE | | 著者 | Timms, N, Poyakova, A, Windle, C.L, Trinh, C.H, Nelson, A, Pearson, A.R, Berry, A. | | 登録日 | 2012-02-03 | | 公開日 | 2013-01-23 | | 最終更新日 | 2013-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Insights Into the Recovery of Aldolase Activity in N-Acetylneuraminic Acid Lyase by Replacement of the Catalytically Active Lysine with Gamma-Thialysine by Using a Chemical Mutagenesis Strategy.
Chembiochem, 14, 2013
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2WBD
 | | FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE-1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH AN AMP SITE INHIBITOR | | 分子名称: | FRUCTOSE-1,6-BISPHOSPHATASE 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide | | 著者 | Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T, Kitas, E, Mohr, P, Kuhn, B, Wessel, H.P, Hebeisen, P, Haap, W, Huber, W, Alvarez Sanchez, R, Paehler, A, Bernadeau, A, Gubler, M, Schott, B, Tozzo, E. | | 登録日 | 2009-02-26 | | 公開日 | 2009-12-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Sulfonylureido Thiazoles as Fructose-1,6-Bisphosphatase Inhibitors for the Treatment of Type-2 Diabetes.
Bioorg.Med.Chem.Lett., 20, 2010
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6ZJV
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6Z2O
 | | Crystal structure of wild type OgpA from Akkermansia muciniphila in P 21 21 21 | | 分子名称: | 1,2-ETHANEDIOL, O-glycan protease, ZINC ION | | 著者 | Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. | | 登録日 | 2020-05-18 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.649 Å) | | 主引用文献 | Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila.
Nat Commun, 11, 2020
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6Z2P
 | | Crystal structure of catalytic inactive OgpA from Akkermansia muciniphila in complex with an O-glycopeptide (glycodrosocin) substrate | | 分子名称: | CALCIUM ION, Glycodrosocin, O-glycan protease, ... | | 著者 | Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. | | 登録日 | 2020-05-18 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila.
Nat Commun, 11, 2020
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4MC1
 | | HIV protease in complex with SA526P | | 分子名称: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease | | 著者 | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | | 登録日 | 2013-08-21 | | 公開日 | 2014-04-02 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
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2WJP
 | | CRYSTAL STRUCTURE OF MURD LIGASE IN COMPLEX WITH D-GLU CONTAINING RHODANINE INHIBITOR | | 分子名称: | AZIDE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Tomasic, T, Zidar, N, Sink, R, Kovac, A, Rupnik, V, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Muller-Premru, M, Gobec, S, Zega, A, Peterlin-Masic, L, Kikelj, D. | | 登録日 | 2009-05-28 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of Novel 5-Benzylidenerhodanine and 5-Benzylidenethiazolidine-2,4-Dione Inhibitors of Murd Ligase.
J.Med.Chem., 53, 2010
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4MET
 | | Assigning the EPR Fine Structure Parameters of the Mn(II) Centers in Bacillus subtilis Oxalate Decarboxylase by Site-Directed Mutagenesis and DFT/MM Calculations | | 分子名称: | COBALT (II) ION, Oxalate decarboxylase OxdC | | 著者 | Campomanes, P, Kellett, W.F, Easthon, L.M, Ozarowski, A, Allen, K.N, Angerhofer, A, Rothlisberger, U, Richards, N.G.J. | | 登録日 | 2013-08-27 | | 公開日 | 2014-03-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.095 Å) | | 主引用文献 | Assigning the EPR Fine Structure Parameters of the Mn(II) Centers in Bacillus subtilis Oxalate Decarboxylase by Site-Directed Mutagenesis and DFT/MM Calculations.
J.Am.Chem.Soc., 136, 2014
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6QK5
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3C49
 | | Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor KU0058948 | | 分子名称: | 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one, Poly(ADP-ribose) polymerase 3 | | 著者 | Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | | 登録日 | 2008-01-29 | | 公開日 | 2008-02-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
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6R65
 | | Crystal Structure of human TMEM16K / Anoctamin 10 (Form 2) | | 分子名称: | Anoctamin-10, CALCIUM ION | | 著者 | Bushell, S.R, Pike, A.C.W, Chu, A, Tessitore, A, Rotty, B, Mukhopadhyay, S, Kupinska, K, Shrestha, L, Borkowska, O, Chalk, R, Burgess-Brown, N.A, Love, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | 登録日 | 2019-03-26 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K.
Nat Commun, 10, 2019
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3C4H
 | | Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor DR2313 | | 分子名称: | 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Poly(ADP-ribose) polymerase 3 | | 著者 | Lehtio, L, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | | 登録日 | 2008-01-30 | | 公開日 | 2008-02-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
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4L6B
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4E3R
 | | PLP-bound aminotransferase mutant crystal structure from Vibrio fluvialis | | 分子名称: | Pyruvate transaminase, SODIUM ION, SULFATE ION | | 著者 | Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W. | | 登録日 | 2012-03-10 | | 公開日 | 2012-10-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
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4L6X
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6Y4X
 | | Crystal structure of p38 in complex with SR72 | | 分子名称: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | 著者 | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-02-23 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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7TQ1
 | | Crystal structure of adaptive laboratory evolved sulfonamide-resistant Dihydropteroate Synthase (DHPS) from Escherichia coli in complex with 6-hydroxymethylpterin | | 分子名称: | 6-HYDROXYMETHYLPTERIN, Dihydropteroate synthase | | 著者 | Stogios, P.J, Skarina, T, Tan, K, Venkatesan, M, Fruci, M, Joachimiak, A, Savchenko, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2022-01-26 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Nat Commun, 14, 2023
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3ZGZ
 | | Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and toxic moiety from agrocin 84 (TM84) in aminoacylation-like conformation | | 分子名称: | LEUCINE--TRNA LIGASE, MAGNESIUM ION, TRNA-LEU UAA ISOACCEPTOR, ... | | 著者 | Chopra, S, Palencia, A, Virus, C, Tripathy, A, Temple, B.R, Velazquez-Campoy, A, Cusack, S, Reader, J.S. | | 登録日 | 2012-12-19 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Plant Tumour Biocontrol Agent Employs a tRNA-Dependent Mechanism to Inhibit Leucyl-tRNA Synthetase
Nat.Commun., 4, 2013
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6ZJ3
 | | Cryo-EM structure of the highly atypical cytoplasmic ribosome of Euglena gracilis | | 分子名称: | 18S rRNA, 5.8S rRNA, 5S rRNA, ... | | 著者 | Matzov, D, Halfon, H, Zimmerman, E, Rozenberg, H, Bashan, A, Gray, M.W, Yonath, A.E, Shalev-Benami, M. | | 登録日 | 2020-06-27 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | | 主引用文献 | Cryo-EM structure of the highly atypical cytoplasmic ribosome of Euglena gracilis.
Nucleic Acids Res., 48, 2020
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7QZB
 | | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 98 | | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one, Bromodomain adjacent to zinc finger domain protein 2A | | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | | 登録日 | 2022-01-31 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.151 Å) | | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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