1Z3N
 
 | | Human aldose reductase in complex with NADP+ and the inhibitor lidorestat at 1.04 angstrom | | 分子名称: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase, {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID | | 著者 | Van Zandt, M.C, Jones, M.L, Gunn, D.E, Geraci, L.S, Jones, J.H, Sawicki, D.R, Sredy, J, Jacot, J.L, Dicioccio, A.T, Petrova, T, Mitschler, A, Podjarny, A.D. | | 登録日 | 2005-03-14 | | 公開日 | 2006-03-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications
J.Med.Chem., 48, 2005
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6YXU
 | | Structure of Mycobacterium smegmatis HelD protein in complex with RNA polymerase core - State I, primary channel engaged | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Kouba, T, Koval, T, Krasny, L, Dohnalek, J. | | 登録日 | 2020-05-03 | | 公開日 | 2020-11-04 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | | 主引用文献 | Mycobacterial HelD is a nucleic acids-clearing factor for RNA polymerase.
Nat Commun, 11, 2020
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6N3O
 | | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | | 分子名称: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide, eIF-2-alpha kinase GCN2 | | 著者 | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | | 登録日 | 2018-11-15 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
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8BTO
 | | Helical structure of BcThsA in complex with 1''-3'gcADPR | | 分子名称: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, NAD(+) hydrolase ThsA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Tamulaitiene, G, Sasnauskas, G, Sabonis, D. | | 登録日 | 2022-11-29 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | | 主引用文献 | Activation of Thoeris antiviral system via SIR2 effector filament assembly.
Nature, 627, 2024
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3B1T
 | | Crystal structure of human peptidylarginine deiminase 4 in complex with o-Cl-amidine | | 分子名称: | 2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Protein-arginine deiminase type-4, ... | | 著者 | Causey, C.P, Jones, J.E, Slack, J.L, Kamei, D, Jones Jr, L.E, Subramanian, V, Knuckley, B, Ebrahimi, P, Chumanevich, A.A, Luo, Y, Hashimoto, H, Shimizu, T, Sato, M, Hofseth, L.J, Thompson, P.R. | | 登録日 | 2011-07-13 | | 公開日 | 2011-10-26 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The Development of N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine Amide (o-F-amidine) and N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine Amide (o-Cl-amidine) As Second Generation Protein Arginine Deiminase (PAD) Inhibitors
J.Med.Chem., 54, 2011
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8CF9
 | | Crystal structure of the human PXR ligand-binding domain in complex with sclareol | | 分子名称: | GLYCEROL, Nuclear receptor subfamily 1 group I member 2, sclareol | | 著者 | Carivenc, C, Derosa, Q, Grimaldi, M, Boulahtouf, A, Balaguer, P, Bourguet, W. | | 登録日 | 2023-02-03 | | 公開日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of the human PXR ligand-binding domain in complex with sclareol
To Be Published
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3G60
 | | Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding | | 分子名称: | (4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, Multidrug resistance protein 1a | | 著者 | Aller, S.G, Yu, J, Ward, A, Weng, Y, Chittaboina, S, Zhuo, R, Harrell, P.M, Trinh, Y.T, Zhang, Q, Urbatsch, I.L, Chang, G. | | 登録日 | 2009-02-05 | | 公開日 | 2009-03-24 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (4.4 Å) | | 主引用文献 | Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding.
Science, 323, 2009
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4IE0
 | | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with pyridine-2,4-dicarboxylate (2,4-PDCA) | | 分子名称: | Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | | 著者 | Aik, W.S, McDonough, M.A, Schofield, C.J. | | 登録日 | 2012-12-13 | | 公開日 | 2013-04-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
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1ZGE
 | | carbonic anhydrase II in complex with p-Sulfonamido-o,o'-dichloroaniline as sulfonamide inhibitor | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-AMINO-3,5-DICHLOROBENZENESULFONAMIDE, Carbonic anhydrase II, ... | | 著者 | Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T. | | 登録日 | 2005-04-21 | | 公開日 | 2006-05-23 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | carbonic anhydrase II in complex with p-Sulfonamido-o,o'-dichloroaniline as sulfonamide inhibitor
To be Published
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1GWG
 | | Tri-iodide derivative of apoferritin | | 分子名称: | CADMIUM ION, FERRITIN LIGHT CHAIN, IODIDE ION | | 著者 | Evans, G, Bricogne, G. | | 登録日 | 2002-03-15 | | 公開日 | 2002-06-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Triiodide Derivatization and Combinatorial Counter-Ion Replacement: Two Methods for Enhancing Phasing Signal Using Laboratory Cu Kalpha X-Ray Equipment
Acta Crystallogr.,Sect.D, 58, 2002
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8CH8
 | | Crystal structure of the human PXR ligand-binding domain in complex with liranaftate | | 分子名称: | Nuclear receptor subfamily 1 group I member 2, ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate | | 著者 | Carivenc, C, Derosa, Q, Grimaldi, M, Boulahtouf, A, Balaguer, P, Bourguet, W. | | 登録日 | 2023-02-07 | | 公開日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal structure of the human PXR ligand-binding domain in complex with liranaftate
To Be Published
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8CHD
 | | NtUGT1 in two conformations | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Glycosyltransferase, ... | | 著者 | Fredslund, F, Teze, D, Adams, P.D, Welner, D.H. | | 登録日 | 2023-02-07 | | 公開日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | NtUGT1 in two conformations
To Be Published
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4AHK
 | | K54E - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis | | 分子名称: | ANGIOGENIN, D(-)-TARTARIC ACID | | 著者 | Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R. | | 登録日 | 2012-02-06 | | 公開日 | 2012-10-10 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons.
Nat.Commun., 3, 2012
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4ILX
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8CID
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1ZHW
 | | Structure of yeast oxysterol binding protein Osh4 in complex with 20-hydroxycholesterol | | 分子名称: | 20-HYDROXYCHOLESTEROL, KES1 protein, LEAD (II) ION | | 著者 | Im, Y.J, Raychaudhuri, S, Prinz, W.A, Hurley, J.H. | | 登録日 | 2005-04-26 | | 公開日 | 2005-09-06 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural mechanism for sterol sensing and transport by OSBP-related proteins
Nature, 437, 2005
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3NI5
 | | Carbonic anhydrase inhibitor: C1 family | | 分子名称: | 4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate, Carbonic anhydrase 2, MERCURY (II) ION, ... | | 著者 | Temperini, C, Cecchi, A, Scozzafava, A, Supuran, C.T. | | 登録日 | 2010-06-15 | | 公開日 | 2011-06-22 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Synthesis and crystallographic analysis of new sulfonamides incorporating NO-donating moieties with potent antiglaucoma action
Bioorg.Med.Chem.Lett., 21, 2011
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1ZI7
 | | Structure of truncated yeast oxysterol binding protein Osh4 | | 分子名称: | KES1 protein, SULFATE ION | | 著者 | Im, Y.J, Raychaudhuri, S, Prinz, W.A, Hurley, J.H. | | 登録日 | 2005-04-27 | | 公開日 | 2005-09-06 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural mechanism for sterol sensing and transport by OSBP-related proteins
Nature, 437, 2005
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8CJ8
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4A55
 | | Crystal structure of p110alpha in complex with iSH2 of p85alpha and the inhibitor PIK-108 | | 分子名称: | PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT ALPHA, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM, PIK-108 | | 著者 | Hon, W.-C, Berndt, A, Williams, R.L. | | 登録日 | 2011-10-24 | | 公開日 | 2011-12-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Regulation of Lipid Binding Underlies the Activation Mechanism of Class Ia Pi3-Kinases.
Oncogene, 31, 2012
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8CJ5
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4AHM
 | | V113I - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis | | 分子名称: | ANGIOGENIN, L(+)-TARTARIC ACID | | 著者 | Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R. | | 登録日 | 2012-02-06 | | 公開日 | 2012-10-10 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons.
Nat.Commun., 3, 2012
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3T5G
 | | Structure of fully modified farnesylated Rheb in complex with PDE6D | | 分子名称: | FARNESYL, GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Ismail, S.A, Chen, Y.-X, Wittinghofer, A. | | 登録日 | 2011-07-27 | | 公開日 | 2011-10-26 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Arl2-GTP and Arl3-GTP regulate a GDI-like transport system for farnesylated cargo.
Nat.Chem.Biol., 7, 2011
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8CGX
 | | structure of HEX-1 from N. crassa crystallized in cellulo, diffracted at 100K and resolved using XDS | | 分子名称: | Woronin body major protein | | 著者 | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | | 登録日 | 2023-02-06 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst.
Nat Commun, 15, 2024
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8CD5
 | | structure of HEX-1 from N. crassa crystallized in cellulo, diffracted at 100K and resolved using CrystFEL | | 分子名称: | Woronin body major protein | | 著者 | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | | 登録日 | 2023-01-30 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst.
Nat Commun, 15, 2024
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