2QNP
 
 | | HIV-1 Protease in complex with a iodo decorated pyrrolidine-based inhibitor | | 分子名称: | CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide] | | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | | 登録日 | 2007-07-19 | | 公開日 | 2008-04-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
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3C5L
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7CBJ
 | | Crystal structure of PDE4D catalytic domain in complex with compound 36 | | 分子名称: | (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | 著者 | Zhang, X.L, Xu, Y.C. | | 登録日 | 2020-06-12 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
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2YRU
 | | Solution structure of mouse Steroid receptor RNA activator 1 (SRA1) protein | | 分子名称: | Steroid receptor RNA activator 1 | | 著者 | Nameki, N, Saito, K, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2007-04-03 | | 公開日 | 2008-04-08 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of mouse Steroid receptor RNA activator 1 (SRA1) protein
To be Published
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4O71
 | | Crystal structure of the first bromodomain of human BRD4 in complex with FLAVOPIRIDOL | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Bromodomain-containing protein 4 | | 著者 | Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E. | | 登録日 | 2013-12-24 | | 公開日 | 2014-03-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
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1NES
 | | STRUCTURE OF THE PRODUCT COMPLEX OF ACETYL-ALA-PRO-ALA WITH PORCINE PANCREATIC ELASTASE AT 1.65 ANGSTROMS RESOLUTION | | 分子名称: | ACETYL-ALA-PRO-ALA, CALCIUM ION, ELASTASE, ... | | 著者 | Meyer Junior, E.F, Radhakrishnan, R, M Cole, G, Presta, L.G. | | 登録日 | 1995-07-31 | | 公開日 | 1996-01-29 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure of the product complex of acetyl-Ala-Pro-Ala with porcine pancreatic elastase at 1.65 A resolution.
J.Mol.Biol., 189, 1986
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5P96
 | | rat catechol O-methyltransferase in complex with N-[5-(2-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide at 1.40A | | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, ... | | 著者 | Ehler, A, Lerner, C, Rudolph, M.G. | | 登録日 | 2016-08-30 | | 公開日 | 2017-08-30 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal Structure of a COMT complex
To be published
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1EU5
 | | STRUCTURE OF E. COLI DUTPASE AT 1.45 A | | 分子名称: | DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, GLYCEROL | | 著者 | Gonzalez, A, Larsson, G, Persson, R, Cedergren-Zeppezauer, E. | | 登録日 | 2000-04-13 | | 公開日 | 2000-05-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Atomic resolution structure of Escherichia coli dUTPase determined ab initio.
Acta Crystallogr.,Sect.D, 57, 2001
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3BSG
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4E19
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7VN7
 | | Crystal structure of MBP-fused BIL1/BZR1 (21-90) in complex with double-stranded DNA contaning GACACGTGTC | | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*GP*AP*CP*AP*CP*GP*TP*GP*TP*CP*AP*AP*A)-3'), Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1, ... | | 著者 | Nosaki, S, Tanokura, M, Miyakawa, T. | | 登録日 | 2021-10-10 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Brassinosteroid-induced gene repression requires specific and tight promoter binding of BIL1/BZR1 via DNA shape readout.
Nat.Plants, 8, 2022
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1NRJ
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9EY5
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5OW8
 | | Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors | | 分子名称: | 1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Sandmark, J.S, Roth, R.G, Knerr, L, Bodin, C, Pettersen, D. | | 登録日 | 2017-08-31 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors.
Acs Med.Chem.Lett., 9, 2018
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7VN8
 | | Crystal structure of MBP-fused BIL1/BZR1 (21-90) in complex with double-stranded DNA contaning GTCACGTGAC | | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*GP*TP*CP*AP*CP*GP*TP*GP*AP*CP*AP*AP*A)-3'), Maltodextrin-binding protein,Protein BRASSINAZOLE-RESISTANT 1, ... | | 著者 | Nosaki, S, Tanokura, M, Miyakawa, T. | | 登録日 | 2021-10-10 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Brassinosteroid-induced gene repression requires specific and tight promoter binding of BIL1/BZR1 via DNA shape readout.
Nat.Plants, 8, 2022
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2YSI
 | | Solution structure of the first WW domain from the mouse transcription elongation regulator 1, transcription factor CA150 | | 分子名称: | Transcription elongation regulator 1 | | 著者 | Ohnishi, S, Li, H, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2007-04-03 | | 公開日 | 2007-10-09 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the first WW domain from the mouse transcription elongation regulator 1, transcription factor CA150
To be Published
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2QS7
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1AE8
 | | HUMAN ALPHA-THROMBIN INHIBITION BY EOC-D-PHE-PRO-AZALYS-ONP | | 分子名称: | 1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ... | | 著者 | De Simone, G, Balliano, G, Milla, P, Gallina, C, Giordano, C, Tarricone, C, Rizzi, M, Bolognesi, M, Ascenzi, P. | | 登録日 | 1997-03-06 | | 公開日 | 1997-12-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study.
J.Mol.Biol., 269, 1997
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3BL1
 | | Carbonic anhydrase inhibitors. Sulfonamide diuretics revisited old leads for new applications | | 分子名称: | 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide, Carbonic anhydrase 2, MERCURY (II) ION, ... | | 著者 | Temperini, C, Cecchi, A, Supuran, C.T. | | 登録日 | 2007-12-10 | | 公開日 | 2008-07-01 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for the indapamide-isozyme II adduct.
Bioorg.Med.Chem.Lett., 18, 2008
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3FPT
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4O75
 | | Crystal structure of the first bromodomain of human BRD4 in complex with FOSTAMATINIB | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, [6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate | | 著者 | Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E. | | 登録日 | 2013-12-24 | | 公開日 | 2014-03-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
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2YA4
 | | Crystal structure of Streptococcus pneumoniae NanA (TIGR4) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Gut, H, Xu, G, Taylor, G.L, Walsh, M.A. | | 登録日 | 2011-02-18 | | 公開日 | 2011-04-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Basis for Streptococcus Pneumoniae Nana Inhibition by Influenza Antivirals Zanamivir and Oseltamivir Carboxylate.
J.Mol.Biol., 409, 2011
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5ZGF
 | | Crystal structure of NDM-1 Q123G mutant | | 分子名称: | HYDROXIDE ION, Metallo-beta-lactamase type 2, ZINC ION | | 著者 | Zhang, H, Hao, Q. | | 登録日 | 2018-03-08 | | 公開日 | 2018-08-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
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1JD0
 | | CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAIN OF HUMAN CARBONIC ANHYDRASE XII COMPLEXED WITH ACETAZOLAMIDE | | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE XII, ZINC ION | | 著者 | Whittington, D.A, Waheed, A, Ulmasov, B, Shah, G.N, Grubb, J.H, Sly, W.S, Christianson, D.W. | | 登録日 | 2001-06-11 | | 公開日 | 2001-08-17 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structure of the dimeric extracellular domain of human carbonic anhydrase XII, a bitopic membrane protein overexpressed in certain cancer tumor cells.
Proc.Natl.Acad.Sci.USA, 98, 2001
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5SG0
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N3(c1ccnn1c2ccccc2)CCN(C3=O)CCc4c(oc(n4)c5ccccc5)C, micromolar IC50=0.809009 | | 分子名称: | 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(1-phenyl-1H-pyrazol-5-yl)-1,3-dihydro-2H-imidazol-2-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Joseph, C, Benz, J, Flohr, A, Koerner, M, Rudolph, M.G. | | 登録日 | 2022-02-01 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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