4G93
 
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2KHK
 | | NMR solution structure of the b30-82 domain of subunit b of Escherichia coli F1FO ATP synthase | | 分子名称: | ATP synthase subunit b | | 著者 | Priya, R, Biukovic, G, Gayen, S, Vivekanandan, S, Gruber, G. | | 登録日 | 2009-04-08 | | 公開日 | 2009-12-15 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure, determined by nuclear magnetic resonance, of the b30-82 domain of subunit b of Escherichia coli F1Fo ATP synthase
J.Bacteriol., 191, 2009
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1P84
 | | HDBT inhibited Yeast Cytochrome bc1 Complex | | 分子名称: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ... | | 著者 | Palsdottir, H, Lojero, C.G, Trumpower, B.L, Hunte, C. | | 登録日 | 2003-05-06 | | 公開日 | 2003-07-29 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of the yeast cytochrome bc1 complex with a hydroxyquinone anion Qo site inhibitor bound
J.Biol.Chem., 278, 2003
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2M7R
 | | Nmda receptor antagonist, conantokin bk-b, nmr, 20 structure | | 分子名称: | CONANTOKIN BK-B | | 著者 | Curtice, K.J, Platt, R.J, Skalicky, J.J, Horvath, M.P, Twede, V.D. | | 登録日 | 2013-04-29 | | 公開日 | 2014-02-19 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | From molecular phylogeny towards differentiating pharmacology for NMDA receptor subtypes.
Toxicon, 81C, 2014
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2MWR
 | | Solution Structure of Acidocin B, a Circular Bacteriocin from Lactobacillus acidophilus M46 | | 分子名称: | Acidocin B | | 著者 | Vederas, J.C, Acedo, J.Z, van Belkum, M.J, Lohans, C.T. | | 登録日 | 2014-11-19 | | 公開日 | 2015-03-04 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of Acidocin B, a Circular Bacteriocin Produced by Lactobacillus acidophilus M46.
Appl.Environ.Microbiol., 81, 2015
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1BDK
 | | AN NMR, CD, MOLECULAR DYNAMICS, AND FLUOROMETRIC STUDY OF THE CONFORMATION OF THE BRADYKININ ANTAGONIST B-9340 IN WATER AND IN AQUEOUS MICELLAR SOLUTIONS | | 分子名称: | bradykinin antagonist B-9340 | | 著者 | Sejbal, J, Kotovych, G, Cann, J.R, Stewart, J.M, Gera, L. | | 登録日 | 1995-07-28 | | 公開日 | 1995-12-07 | | 最終更新日 | 2024-06-05 | | 実験手法 | SOLUTION NMR | | 主引用文献 | An NMR, CD, molecular dynamics, and fluorometric study of the conformation of the bradykinin antagonist B-9340 in water and in aqueous micellar solutions.
J.Med.Chem., 39, 1996
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1FRA
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4LKO
 | | Crystal structure of human DPP-IV in complex with BMS-744891 | | 分子名称: | 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Dipeptidyl peptidase 4 | | 著者 | Klei, H.E. | | 登録日 | 2013-07-08 | | 公開日 | 2013-09-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778).
J.Med.Chem., 56, 2013
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1Q9D
 | | Fructose-1,6-bisphosphatase Complexed with a New Allosteric Site Inhibitor (I-State) | | 分子名称: | 3-(4-HYDROXYBENZYL)-2-[1-({[2-(4-HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]-4-OXO-3,6,11,11A-TETRAHYDRO-4H-PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM-1-OLATE, 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, ... | | 著者 | Honzatko, R.B, Choe, J.Y. | | 登録日 | 2003-08-25 | | 公開日 | 2003-12-02 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Inhibition of fructose-1,6-bisphosphatase by a new class of allosteric effectors
J.Biol.Chem., 278, 2003
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3RUO
 | | Complex structure of HevB EV93 main protease 3C with Rupintrivir (AG7088) | | 分子名称: | 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, CHLORIDE ION, HEVB EV93 3C PROTEASE, ... | | 著者 | Kaczmarska, Z, Janowski, R, Costenaro, L, Coutard, B, Norder, H, Canard, B, Coll, M. | | 登録日 | 2011-05-05 | | 公開日 | 2011-09-07 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural Basis for Antiviral Inhibition of the Main Protease, 3C, from Human Enterovirus 93.
J.Virol., 85, 2011
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2JG9
 | | Crystallographic structure of human C1q globular heads (P1) | | 分子名称: | CALCIUM ION, Complement C1q subcomponent subunit A, Complement C1q subcomponent subunit B, ... | | 著者 | Paidassi, H, Tacnet-Delorme, P, Garlatti, V, Darnault, C, Ghebrehiwet, B, Gaboriaud, C, Arlaud, G.J, Frachet, P. | | 登録日 | 2007-02-09 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | C1Q Binds Phosphatidylserine and Likely Acts as a Multiligand-Bridging Molecule in Apoptotic Cell Recognition.
J.Immunol., 180, 2008
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1Z0H
 | | N-terminal helix reorients in recombinant C-fragment of Clostridium botulinum type B | | 分子名称: | Botulinum neurotoxin type B | | 著者 | Jayaraman, S, Eswarmoorthy, S, Ashraf, S.A, Smith, L.A, Swaminathan, S. | | 登録日 | 2005-03-01 | | 公開日 | 2005-03-15 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | N-terminal helix reorients in recombinant C-fragment of Clostridium botulinum type B.
Biochem.Biophys.Res.Commun., 330, 2005
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4EJN
 | | Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide | | 分子名称: | 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ... | | 著者 | Eathiraj, S. | | 登録日 | 2012-04-06 | | 公開日 | 2012-05-23 | | 最終更新日 | 2013-01-02 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.
J.Med.Chem., 55, 2012
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4IVC
 | | JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE | | 分子名称: | (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile, Tyrosine-protein kinase JAK1 | | 著者 | Eigenbrot, C, Shia, S. | | 登録日 | 2013-01-22 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
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3FLI
 | | Discovery of XL335, a Highly Potent, Selective and Orally-Active Agonist of the Farnesoid X Receptor (FXR) | | 分子名称: | 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Bile acid receptor | | 著者 | Foster, P.G, Stout, T.J. | | 登録日 | 2008-12-18 | | 公開日 | 2009-12-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of XL335 (WAY-362450), a highly potent, selective, and orally active agonist of the farnesoid X receptor (FXR).
J.Med.Chem., 52, 2009
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2JBL
 | | PHOTOSYNTHETIC REACTION CENTER FROM BLASTOCHLORIS VIRIDIS | | 分子名称: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | 著者 | Lancaster, C.R.D. | | 登録日 | 2006-12-08 | | 公開日 | 2007-03-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A Comparison of Stigmatellin Conformations, Free and Bound to the Photosynthetic Reaction Center and the Cytochrome Bc(1) Complex.
J.Mol.Biol., 368, 2007
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3T3C
 | | Structure of HIV PR resistant patient derived mutant (comprising 22 mutations) in complex with DRV | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, BETA-MERCAPTOETHANOL, HIV-1 protease, ... | | 著者 | Rezacova, P, Kozisek, M, Konvalinka, J, Saskova, K.G. | | 登録日 | 2011-07-25 | | 公開日 | 2012-06-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Mutations in HIV-1 gag and pol Compensate for the Loss of Viral Fitness Caused by a Highly Mutated Protease.
Antimicrob.Agents Chemother., 56, 2012
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1ZX4
 | | Structure of ParB bound to DNA | | 分子名称: | CITRIC ACID, Plasmid Partition par B protein, parS-small DNA centromere site | | 著者 | Schumacher, M.A, Funnell, B.E. | | 登録日 | 2005-06-06 | | 公開日 | 2005-11-29 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | | 主引用文献 | Structures of ParB bound to DNA reveal mechanism of partition complex formation.
Nature, 438, 2005
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4M7B
 | | Human tankyrase 2 - catalytic Parp domain in complex with an inhibitor UPF1854 | | 分子名称: | 4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol, SULFATE ION, Tankyrase-2, ... | | 著者 | Karlberg, T, Camaioni, E, Schuler, H. | | 登録日 | 2013-08-12 | | 公開日 | 2014-03-12 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Design, Synthesis, Crystallographic Studies, and Preliminary Biological Appraisal of New Substituted Triazolo[4,3-b]pyridazin-8-amine Derivatives as Tankyrase Inhibitors.
J.Med.Chem., 57, 2014
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6KXX
 | | Human PPAR alpha ligand binding domain in complex with a synthetic agonist (compound A) | | 分子名称: | 1-(4-chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid, PGC1alpha, Peroxisome proliferator-activated receptor alpha | | 著者 | Yoshida, T, Tachibana, K, Oki, H, Doi, M, Fukuda, S, Yuzuriha, T, Tabata, R, Ishimoto, K, Kawahara, K, Ohkubo, T, Miyachi, H, Doi, T. | | 登録日 | 2019-09-14 | | 公開日 | 2020-05-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural Basis for PPAR alpha Activation by 1H-pyrazolo-[3,4-b]pyridine Derivatives.
Sci Rep, 10, 2020
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3MB7
 | | Human CK2 catalytic domain in complex with a difurane derivative inhibitor (AMR) | | 分子名称: | Casein kinase II subunit alpha, SULFATE ION, naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid | | 著者 | Reiser, J.-B, Prudent, R, Cochet, C. | | 登録日 | 2010-03-25 | | 公開日 | 2010-05-05 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights.
Faseb J., 24, 2010
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1QXA
 | | Crystal structure of Sortase B complexed with Gly3 | | 分子名称: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, NPQTN specific sortase B, peptide GLY-GLY-GLY | | 著者 | Zong, Y, Mazmanian, S.K, Schneewind, O, Narayana, S.V. | | 登録日 | 2003-09-05 | | 公開日 | 2004-04-06 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The structure of sortase B, a cysteine transpeptidase that tethers surface protein to the Staphylococcus aureus cell wall
Structure, 12, 2004
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3ZT9
 | | The bacterial stressosome: a modular system that has been adapted to control secondary messenger signaling | | 分子名称: | DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, SERINE PHOSPHATASE | | 著者 | Quin, M.B, Berrisford, J.M, Newman, J.A, Basle, A, Lewis, R.J, Marles-Wright, J. | | 登録日 | 2011-07-06 | | 公開日 | 2012-02-22 | | 最終更新日 | 2018-10-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | The Bacterial Stressosome: A Modular System that Has Been Adapted to Control Secondary Messenger Signaling.
Structure, 20, 2012
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4JCP
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3SGW
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