PDB: 12060 件ウェブページステータス検索Chemie searchBIRD

---

3R49	Human cyclophilin D complexed with quinolin-8-amine 分子名称: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, quinolin-8-amine 著者 Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. 登録日 2011-03-17 公開日 2012-03-21 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
2W1H	Fragment-Based Discovery of the Pyrazol-4-yl urea (AT9283), a Multi- targeted Kinase Inhibitor with Potent Aurora Kinase Activity 分子名称: CELL DIVISION PROTEIN KINASE 2, N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE 著者 Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. 登録日 2008-10-17 公開日 2009-01-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
2W1J	CRYSTAL STRUCTURE OF SORTASE C-1 (SRTC-1) from Streptococcus pneumoniae 分子名称: GLYCEROL, PUTATIVE SORTASE 著者 Manzano, C, Contreras-Martel, C, El Mortaji, L, Izore, T, Fenel, D, Vernet, T, Schoehn, G, Di Guilmi, A.M, Dessen, A. 登録日 2008-10-17 公開日 2008-12-23 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Sortase-Mediated Pilus Fiber Biogenesis in Streptococcus Pneumoniae. Structure, 16, 2008
6TZ5	CryoEM reconstruction of membrane-bound ESCRT-III filament composed of CHMP1B+IST1 (left-handed) 分子名称: Charged multivesicular body protein 1b, IST1 homolog 著者 Nguyen, H.C, Frost, A. 登録日 2019-08-10 公開日 2020-04-08 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Membrane constriction and thinning by sequential ESCRT-III polymerization. Nat.Struct.Mol.Biol., 27, 2020
3RQP	Structure of the endothelial nitric oxide synthase heme domain in complex with 6-{[(3R,4R)-4-(2-{[(2R/2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[(2R)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Delker, S.L, Poulos, T.L. 登録日 2011-04-28 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 21, 2013
2W3H	Cyanide bound structure of the first GAF domain of Mycobacterium tuberculosis DosS 分子名称: CALCIUM ION, CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Kang, B.S, Cho, H.Y, Cho, H.J. 登録日 2008-11-12 公開日 2009-03-10 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural Insight Into the Heme-Based Redox Sensing by Doss from Mycobacterium Tuberculosis. J.Biol.Chem., 284, 2009
6U9N	MLL1 SET N3861I/Q3867L bound to inhibitor 14 (TC-5139) 分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION 著者 Petrunak, E.M, Stuckey, J.A. 登録日 2019-09-09 公開日 2020-07-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
2VTA	Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. 分子名称: 1H-indazole, CELL DIVISION PROTEIN KINASE 2, GLYCEROL 著者 Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. 登録日 2008-05-13 公開日 2008-08-05 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
3R4L	Human very long half life Plasminogen Activator Inhibitor type-1 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasminogen activator inhibitor 1, beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose 著者 Yang, J, Zheng, H, Han, Q, Skrzypczak-Jankun, E, Jankun, J. 登録日 2011-03-17 公開日 2011-11-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Remarkable extension of PAI-1 half-life surprisingly brings no changes to its structure. Int.J.Mol.Med., 29, 2012
6UDY	X-ray co-crystal structure of compound 5 with Mcl-1 分子名称: (3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 著者 Huang, X. 登録日 2019-09-19 公開日 2019-12-11 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
6SFK	Crystal structure of p38 alpha in complex with compound 81 (MCP42) 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide 著者 Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2019-08-01 公開日 2019-09-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
3GC0	Structure of the CMGC CDK Kinase from Giardia lamblia in complex with AMP 分子名称: ADENOSINE MONOPHOSPHATE, Kinase, CMGC CDK 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2009-02-20 公開日 2009-03-24 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of a cyclin-dependent kinase from Giardia lamblia. Acta Crystallogr.,Sect.F, 67, 2011
3RD9	Human Cyclophilin D Complexed with a Fragment 分子名称: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase F, ... 著者 Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. 登録日 2011-04-01 公開日 2012-03-21 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
2XYJ	Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy 分子名称: 5-CHLORO-2-METHOXY-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]BENZAMIDE, PENTAETHYLENE GLYCOL, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA 著者 Marquette, J.-P, Mathieu, M. 登録日 2010-11-18 公開日 2011-02-23 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy Chemmedchem, 6, 2011
2XYW	Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy 分子名称: 3-CHLORO-6-FLUORO-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]-1-BENZOTHIOPHENE-2-CARBOXAMIDE, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA, octyl beta-D-glucopyranoside 著者 Marquette, J.-P, Mathieu, M. 登録日 2010-11-19 公開日 2011-02-23 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (3.14 Å) 主引用文献 Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy Chemmedchem, 6, 2011
2Y34	S-nitrosylated PHD2 (NO exposed) in complex with Fe(II) and UN9 分子名称: EGL NINE HOMOLOG 1, FE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE 著者 Chowdhury, R, McDonough, M.A, Schofield, C.J. 登録日 2010-12-18 公開日 2010-12-29 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Studies on the reaction of nitric oxide with the hypoxia-inducible factor prolyl hydroxylase domain 2 (EGLN1). J. Mol. Biol., 410, 2011
6KEB	Structure basis for Diltiazem block of a voltage-gated calcium channel 分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ... 著者 Tang, L. 登録日 2019-07-04 公開日 2019-10-23 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structural Basis for Diltiazem Block of a Voltage-Gated Ca2+Channel. Mol.Pharmacol., 96, 2019
3S2A	Crystal structure of PI3K-gamma in complex with a quinoline inhibitor 分子名称: N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION 著者 Whittington, D.A, Tang, J, Yakowec, P. 登録日 2011-05-16 公開日 2011-06-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives. J.Med.Chem., 54, 2011
2XYX	Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy 分子名称: 4-[2-[[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]AMINO]ETHYL]-N-(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)BENZENESULFONAMIDE, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA, octyl beta-D-glucopyranoside 著者 Marquette, J.-P, Mathieu, M. 登録日 2010-11-19 公開日 2011-02-23 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy Chemmedchem, 6, 2011
2XYD	human Angiotenisn converting enzyme N-domain in complex with Phosphinic tripeptide 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, CHLORIDE ION, ... 著者 Akif, M, Schwager, S.L, Anthony, C.S, Czarny, B, Beau, F, Dive, V, Sturrock, E.D, Acharya, K.R. 登録日 2010-11-17 公開日 2011-05-11 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Novel Mechanism of Inhibition of Human Angiotensin-I-Converting Enzyme (Ace) by a Highly Specific Phosphinic Tripeptide. Biochem.J., 436, 2011
2Y33	S-nitrosylated PHD2 (GSNO soaked) in complex with Zn(II) and UN9 分子名称: EGL NINE HOMOLOG 1, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ZINC ION 著者 Chowdhury, R, Clifton, I.J, Schofield, C.J. 登録日 2010-12-18 公開日 2010-12-29 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Studies on the Reaction of Nitric Oxide with the Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 (Egln1) J.Mol.Biol., 410, 2011
6SGH	Nek2 kinase covalently bound to 2-arylamino-6-ethynylpurine inhibitor 66 分子名称: 2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide, Serine/threonine-protein kinase Nek2 著者 Richards, M.W, Mas-Droux, C.P, Bayliss, R. 登録日 2019-08-04 公開日 2020-06-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. Rsc Med Chem, 11, 2020
6SHH	Human kallikrein 7 with aromatic coumarinic ester compound 1 covalently bound to H57 分子名称: (3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Kallikrein-7, ... 著者 Hanke, S, Straeter, N. 登録日 2019-08-06 公開日 2020-05-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7. J.Med.Chem., 63, 2020
6KKE	THRb mutation with a novel agonist 分子名称: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta 著者 Yao, B.Q, Li, Y. 登録日 2019-07-25 公開日 2019-10-23 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.577 Å) 主引用文献 Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance. Iscience, 20, 2019
2Y02	TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND AGONIST CARMOTEROL 分子名称: BETA-1 ADRENERGIC RECEPTOR, CARMOTEROL, CHOLESTEROL HEMISUCCINATE, ... 著者 Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G. 登録日 2010-11-30 公開日 2011-01-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor Nature, 469, 2011

<334335336337338339340341342343344345346347348349>