6PDI
 
 | | Human PIM1 bound to benzothiophene inhibitor 224 | | 分子名称: | 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, GLYCEROL, ... | | 著者 | Godoi, P.H.C, Fala, A.M, Santiago, A.S, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | 登録日 | 2019-06-19 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Human PIM1
To Be Published
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3FAQ
 | | Crystal structure of lactoperoxidase complex with cyanide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CYANIDE ION, ... | | 著者 | Sheikh, I.A, Singh, N, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P. | | 登録日 | 2008-11-18 | | 公開日 | 2009-03-31 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural Evidence of Substrate Specificity in Mammalian Peroxidases: STRUCTURE OF THE THIOCYANATE COMPLEX WITH LACTOPEROXIDASE AND ITS INTERACTIONS AT 2.4 A RESOLUTION
J.Biol.Chem., 284, 2009
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6F7R
 | | AKR1B1 at 0.03 MGy radiation dose. | | 分子名称: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Castellvi, A, Juanhuix, J. | | 登録日 | 2017-12-11 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (0.92 Å) | | 主引用文献 | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
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2BZH
 | | CRYSTAL STRUCTURE OF THE HUMAN PIM1 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU1 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1, ... | | 著者 | Debreczeni, J.E, Bullock, A, Knapp, S, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A. | | 登録日 | 2005-08-18 | | 公開日 | 2005-12-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of the Human Pim1 in Complex with Ruthenium Organometallic Ligands
To be Published
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2BYH
 | | 3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as Inhibitors of the Hsp90 Molecular Chaperone | | 分子名称: | HEAT SHOCK PROTEIN HSP90-ALPHA, N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE | | 著者 | Brough, P.A, Barril, X, Beswick, M, Dymock, B.W, Drysdale, M.J, Wright, L, Grant, K, Massey, A, Surgenor, A, Workman, P. | | 登録日 | 2005-08-02 | | 公開日 | 2005-10-12 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 3-(5-Chloro-2,4-Dihydroxyphenyl)-Pyrazole-4-Carboxamides as Inhibitors of the Hsp90 Molecular Chaperone.
Bioorg.Med.Chem.Lett., 15, 2005
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6YQ5
 | | Hybrid structure of the SPP1 tail tube by solid-state NMR and cryo EM - NMR Ensemble | | 分子名称: | Tail tube protein gp17.1* | | 著者 | Zinke, M, Sachowsky, K.A.A, Zinn-Justin, S, Ravelli, R, Schroder, G.F, Habeck, M, Lange, A. | | 登録日 | 2020-04-16 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (4 Å), SOLID-STATE NMR | | 主引用文献 | Architecture of the flexible tail tube of bacteriophage SPP1.
Nat Commun, 11, 2020
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2BZ5
 | | Structure-based Discovery of a New Class of Hsp90 Inhibitors | | 分子名称: | 2,5-DICHLORO-N-[4-HYDROXY-3-(2-HYDROXY-1-NAPHTHYL)PHENYL]BENZENESULFONAMIDE, HEAT SHOCK PROTEIN HSP90-ALPHA | | 著者 | Barril, X, Brough, P, Drysdale, M, Hubbard, R.E, Massey, A, Surgenor, A, Wright, L. | | 登録日 | 2005-08-11 | | 公開日 | 2005-10-12 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Based Discovery of a New Class of Hsp90 Inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
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6F4D
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6YE5
 | | Structure of ribosomal binding factor A RbfA of Staphylococcus aureus bacterium by NMR | | 分子名称: | Ribosome-binding factor A | | 著者 | Blokhin, D.S, Usachev, K.S, Bikmullin, A.G, Nurullina, L, Garaeva, N, Validov, S, Klochkov, V, Aganov, A, Khusainov, I, Yusupov, M. | | 登録日 | 2020-03-24 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of ribosomal binding factor A RbfA of Staphylococcus aureus bacterium by NMR
To Be Published
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6Z1M
 | | Structure of an Ancestral glycosidase (family 1) bound to heme | | 分子名称: | 1,2-ETHANEDIOL, Ancestral reconstructed glycosidase, GLYCEROL, ... | | 著者 | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Oshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. | | 登録日 | 2020-05-14 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.
Nat Commun, 12, 2021
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1XIV
 | | Plasmodium falciparum lactate dehydrogenase complexed with 2-({4-chloro-[hydroxy(methoxy)methyl]cyclohexyl}amino)ethane-1,1,2-triol | | 分子名称: | 2-({4-CHLORO-2-[HYDROXY(METHOXY)METHYL]CYCLOHEXYL}AMINO)ETHANE-1,1,2-TRIOL, GLYCEROL, L-lactate dehydrogenase | | 著者 | Conners, R, Cameron, A, Read, J.A, Schambach, F, Sessions, R.B, Brady, R.L. | | 登録日 | 2004-09-22 | | 公開日 | 2005-06-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Mapping the binding site for gossypol-like inhibitors of Plasmodium
falciparum lactate dehydrogenase
MOL.BIOCHEM.PARASITOL., 142, 2005
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6F82
 | | AKR1B1 at 1.65 MGy radiation dose. | | 分子名称: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Castellvi, A, Juanhuix, J. | | 登録日 | 2017-12-12 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
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6PJD
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-32 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2019-06-28 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | | 主引用文献 | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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6PLE
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3FHA
 | | Structure of endo-beta-N-acetylglucosaminidase A | | 分子名称: | CALCIUM ION, Endo-beta-N-acetylglucosaminidase, GLYCEROL, ... | | 著者 | Yin, J, Li, L, Shaw, N, Li, Y, Song, J.K, Zhang, W, Xia, C, Zhang, R, Joachimiak, A, Zhang, H.C, Wang, L.X, Wang, P, Liu, Z.J. | | 登録日 | 2008-12-09 | | 公開日 | 2009-04-28 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis and catalytic mechanism for the dual functional endo-beta-N-acetylglucosaminidase A.
Plos One, 4, 2009
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6PJM
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-35 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2019-06-28 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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6PLJ
 | | A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | | 著者 | Carbone, V, Schofield, L, Sutherland-Smith, A, Ronimus, R. | | 登録日 | 2019-07-01 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528)
To Be Published
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6FJT
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2YHI
 | | Trypanosoma brucei PTR1 in complex with inhibitor WH16 | | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | | 著者 | Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P. | | 登録日 | 2011-05-03 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
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4IZG
 | | Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound cis-4oh-d-proline betaine (product) | | 分子名称: | (2S,4S)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium, IODIDE ION, MAGNESIUM ION, ... | | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, LaFleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2013-01-29 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine.
MBio, 5, 2014
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2YM4
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | 分子名称: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1, ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate | | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | | 登録日 | 2011-06-06 | | 公開日 | 2012-01-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
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2K98
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6Z7P
 | | Composite model of the Caulobacter crescentus S-layer bound to the O-antigen of lipopolysaccharide | | 分子名称: | 4-acetamido-4,6-dideoxy-alpha-D-mannopyranose-(1-3)-4-acetamido-4,6-dideoxy-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-3)-4-acetamido-4,6-dideoxy-alpha-D-mannopyranose-(1-3)-4-acetamido-4,6-dideoxy-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-3)-4-acetamido-4,6-dideoxy-alpha-D-mannopyranose-(1-3)-4-acetamido-4,6-dideoxy-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose, CALCIUM ION, S-layer protein | | 著者 | Bharat, T.A.M, von Kugelgen, A. | | 登録日 | 2020-06-01 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | | 主引用文献 | In Situ Structure of an Intact Lipopolysaccharide-Bound Bacterial Surface Layer.
Cell, 180, 2020
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6FA1
 | | Antibody derived (Abd-4) small molecule binding to KRAS. | | 分子名称: | 2-[4-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | | 登録日 | 2017-12-15 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
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2K8P
 | | Characterisation of the structural features and interactions of sclerostin: molecular insight into a key regulator of Wnt-mediated bone formation | | 分子名称: | Sclerostin | | 著者 | Veverka, V, Henry, A.J, Slocombe, P.M, Ventom, A, Mulloy, B, Muskett, F.W, Muzylak, M, Greenslade, K, Moore, A, Zhang, L, Gong, J, Qian, X, Paszty, C, Taylor, R.J, Robinson, M.K, Carr, M.D. | | 登録日 | 2008-09-18 | | 公開日 | 2009-02-17 | | 最終更新日 | 2022-03-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Characterization of the Structural Features and Interactions of Sclerostin: Molecular insight into a key regulator of Wnt-mediated bone formation
J.Biol.Chem., 284, 2009
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