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5C2I
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BU of 5c2i by Molmil
Crystal structure of Anabaena sp. DyP-type peroxidese (AnaPX)
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Alr1585 protein, ...
著者Yoshida, T, Amano, Y, Tsuge, H, Sugano, Y.
登録日2015-06-16
公開日2015-12-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Anabaena sp. DyP-type peroxidase is a tetramer consisting of two asymmetric dimers.
Proteins, 84, 2016
5GJ6
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BU of 5gj6 by Molmil
Functional and structural characterization of P[19] rotavirus VP8* interaction with histo-blood group antigens
分子名称: Outer capsid protein VP4, SULFATE ION
著者Sun, X, Duan, Z.
登録日2016-06-28
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.388 Å)
主引用文献Functional and Structural Characterization of P[19] Rotavirus VP8* Interaction with Histo-blood Group Antigens.
J. Virol., 90, 2016
5CP7
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BU of 5cp7 by Molmil
Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides
分子名称: Heavy Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7, Light Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7
著者Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X.
登録日2015-07-21
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity.
Anal. Chem., 91, 2019
5CP3
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BU of 5cp3 by Molmil
Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides in Complex with Sulfathiazole
分子名称: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, CALCIUM ION, GLYCEROL, ...
著者Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X.
登録日2015-07-21
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity.
Anal. Chem., 91, 2019
2K6R
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BU of 2k6r by Molmil
Protein folding on a highly rugged landscape: Experimental observation of glassy dynamics and structural frustration
分子名称: Full Sequence Design 1 Synthetic Superstable
著者Sadqi, M, de Alba, E, Perez-Jimenez, R, Sanchez-Ruiz, J.M, Munoz, V.
登録日2008-07-18
公開日2009-06-16
最終更新日2016-06-08
実験手法SOLUTION NMR
主引用文献A designed protein as experimental model of primordial folding
Proc.Natl.Acad.Sci.USA, 106, 2009
5CQU
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BU of 5cqu by Molmil
Monoclinic Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry
分子名称: 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine, Casein kinase II subunit alpha, GLYCEROL, ...
著者Niefind, K, Schnitzler, A, Swider, R, Maslyk, M, Ramos, A.
登録日2015-07-22
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Synthesis, Biological Activity and Structural Study of New Benzotriazole-Based Protein Kinase CK2 Inhibitors
Rsc Adv, 5, 2015
7C7F
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BU of 7c7f by Molmil
Crystal structures of AKR1C3 binary complex with NADP+
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ...
著者Irie, K, Toyooka, N, Endo, S.
登録日2020-05-25
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
4ZZY
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BU of 4zzy by Molmil
Structure of human PARP2 catalytic domain bound to an isoindolinone inhibitor
分子名称: 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, POLY [ADP-RIBOSE] POLYMERASE 2
著者Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A.
登録日2015-04-15
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.
J.Med.Chem., 58, 2015
2HE9
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BU of 2he9 by Molmil
Structure of the peptidylprolyl isomerase domain of the human NK-tumour recognition protein
分子名称: NK-tumor recognition protein, SULFATE ION
著者Walker, J.R, Davis, T, Newman, E.M, MacKenzie, F, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2006-06-21
公開日2006-07-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
7C7G
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BU of 7c7g by Molmil
Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2j
分子名称: 2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Irie, K, Toyooka, N, Endo, S.
登録日2020-05-25
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
7C7H
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BU of 7c7h by Molmil
Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2l
分子名称: 2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Irie, K, Toyooka, N, Endo, S.
登録日2020-05-25
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
5GP4
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BU of 5gp4 by Molmil
Lactobacillus brevis CGMCC 1306 Glutamate decarboxylase
分子名称: Glutamate decarboxylase, PYRIDOXAL-5'-PHOSPHATE
著者Mei, L, Huang, J.
登録日2016-07-31
公開日2017-08-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Lactobacillus brevis CGMCC 1306 glutamate decarboxylase: Crystal structure and functional analysis.
Biochem. Biophys. Res. Commun., 503, 2018
5DXT
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BU of 5dxt by Molmil
p110alpha with GDC-0326
分子名称: (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, 1,2-ETHANEDIOL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A.
登録日2015-09-23
公開日2016-01-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
2GTG
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BU of 2gtg by Molmil
Crystal Structure of Human Saposin C
分子名称: Proactivator polypeptide
著者Prive, G.G, Ahn, V.E.
登録日2006-04-28
公開日2006-07-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of saposins A and C.
Protein Sci., 15, 2006
5DFS
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BU of 5dfs by Molmil
Crystal structure of Spider Monkey Cytochrome C at 1.15 Angstrom
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome c, ...
著者MOU, T.C, McClelland, L.J, Jeakins-Cooley, M.E, Goldes, M.E, SPRANG, S.R, BOWLER, B.E.
登録日2015-08-27
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Disruption of a hydrogen bond network in human versus spider monkey cytochrome c affects heme crevice stability.
J.Inorg.Biochem., 158, 2016
6ULB
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BU of 6ulb by Molmil
Sex Hormone-binding globulin mutant E176K in complex with Danazol
分子名称: CALCIUM ION, Danazol, Sex hormone-binding globulin
著者Round, P.W, Das, S, Van Petegem, F.
登録日2019-10-07
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and biochemical analyses of danazol interactions with sex hormone-binding globulin and effects on androgen action
To Be Published
5CQW
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BU of 5cqw by Molmil
Tetragonal Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry
分子名称: 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Niefind, K, Schnitzler, A, Swider, R, Maslyk, M, Ramos, A.
登録日2015-07-22
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Synthesis, Biological Activity and Structural Study of New Benzotriazole-Based Protein Kinase CK2 Inhibitors
Rsc Adv, 5, 2015
5HHT
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BU of 5hht by Molmil
Crystal structure of E. coli transketolase triple variant Ser385Tyr/Asp469Thr/Arg520Gln
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, THIAMINE DIPHOSPHATE, ...
著者Dai, S, Tittmann, K.
登録日2016-01-11
公開日2016-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Analysis of an Evolved Transketolase Reveals Divergent Binding Modes.
Sci Rep, 6, 2016
7X3Z
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BU of 7x3z by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 1 complexed with estrone and NAD
分子名称: (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, 17-beta-hydroxysteroid dehydrogenase type 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Li, T, Lin, S.X, Yin, H.
登録日2022-03-01
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献New insights into the substrate inhibition of human 17 beta-hydroxysteroid dehydrogenase type 1.
J.Steroid Biochem.Mol.Biol., 228, 2023
5BOT
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BU of 5bot by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-carbamoyl-1H-indole-2-carboxylate
分子名称: CALCIUM ION, Collagenase 3, ZINC ION, ...
著者Farrow, N.A, Padyana, A.K.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5BON
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BU of 5bon by Molmil
Crystal structure of human Nudt15 (MTH2)
分子名称: MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15
著者Carter, M, Jemth, A.-S, Helleday, T, Stenmark, P.
登録日2015-05-27
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Crystal structure, biochemical and cellular activities demonstrate separate functions of MTH1 and MTH2.
Nat Commun, 6, 2015
2HQ6
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BU of 2hq6 by Molmil
Structure of the Cyclophilin_CeCYP16-Like Domain of the Serologically Defined Colon Cancer Antigen 10 from Homo Sapiens
分子名称: GLYCEROL, IODIDE ION, Serologically defined colon cancer antigen 10
著者Walker, J.R, Davis, T, Paramanathan, R, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2006-07-18
公開日2006-08-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
5BOY
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BU of 5boy by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-Carboxylate
分子名称: CALCIUM ION, Collagenase 3, ZINC ION, ...
著者Farrow, N.A.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
2GW2
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BU of 2gw2 by Molmil
Crystal structure of the peptidyl-prolyl isomerase domain of human cyclophilin G
分子名称: Peptidyl-prolyl cis-trans isomerase G, UNKNOWN ATOM OR ION
著者Bernstein, G, Tempel, W, Davis, T, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2006-05-03
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
1QYX
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BU of 1qyx by Molmil
Crystal structure of human estrogenic 17beta-hydroxysteroid dehydrogenase complex with androstenedione and NADP
分子名称: 4-ANDROSTENE-3-17-DIONE, Estradiol 17 beta-dehydrogenase 1, GLYCEROL, ...
著者Shi, R, Lin, S.X.
登録日2003-09-12
公開日2004-08-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Cofactor hydrogen bonding onto the protein main chain is conserved in the short chain dehydrogenase/reductase family and contributes to nicotinamide orientation.
J.Biol.Chem., 279, 2004

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