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

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4NU7	2.05 Angstrom Crystal Structure of Ribulose-phosphate 3-epimerase from Toxoplasma gondii. 分子名称: CHLORIDE ION, Ribulose-phosphate 3-epimerase, SULFATE ION, ... 著者 Minasov, G, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Flores, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2013-12-03 公開日 2013-12-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii . Front Cell Infect Microbiol, 8, 2018
6C99	Crystal structure of FcRn bound to UCB-303 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CITRIC ACID, ... 著者 Fox III, D, Abendroth, J, Porter, J, Deboves, H. 登録日 2018-01-25 公開日 2018-05-30 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR. PLoS Biol., 16, 2018
3OZJ	Crystal structure of human retinoic X receptor alpha complexed with bigelovin and coactivator SRC-1 分子名称: (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate, Retinoic acid receptor RXR-alpha, SRC-1, ... 著者 Zhang, H, Li, L, Chen, L, Hu, L, Shen, X. 登録日 2010-09-25 公開日 2011-02-02 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure basis of bigelovin as a selective RXR agonist with a distinct binding mode J.Mol.Biol., 407, 2011
6C6R	Human Squalene Epoxidase (SQLE, Squalene Monooxygenase) structure with FAD 分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Padyana, A.K, Jin, L. 登録日 2018-01-19 公開日 2019-01-16 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase. Nat Commun, 10, 2019
3P3R	Transthyretin in complex with (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone 分子名称: (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone, Transthyretin 著者 Connelly, S, Wilson, I.A. 登録日 2010-10-05 公開日 2011-08-24 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Potent kinetic stabilizers that prevent transthyretin-mediated cardiomyocyte proteotoxicity. Sci Transl Med, 3, 2011
3P6F	Human adipocyte lipid-binding protein FABP4 in complex with (S)-3-phenyl butyric acid 分子名称: (3S)-3-phenylbutanoic acid, Fatty acid-binding protein, adipocyte 著者 Gonzalez, J.M, Pozharski, E. 登録日 2010-10-11 公開日 2011-04-13 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Structural analysis of ibuprofen binding to human adipocyte fatty-acid binding protein (FABP4). Acta Crystallogr F Struct Biol Commun, 71, 2015
6CBK	X-ray structure of NeoB from Streptomyces fradiae in complex with PMP 分子名称: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Neamine transaminase NeoN, ... 著者 Thoden, J.B, Dow, G.T, Holden, H.M. 登録日 2018-02-03 公開日 2018-03-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 The three-dimensional structure of NeoB: An aminotransferase involved in the biosynthesis of neomycin. Protein Sci., 27, 2018
6F2L	Crystal structure of the complex between PPARgamma LBD and the ligand LJ570: structure obtained from crystals of the apo-form soaked for 15 days. 分子名称: (2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Pochetti, G, Montanari, M. 登録日 2017-11-24 公開日 2018-01-10 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Identification of the First PPAR alpha / gamma Dual Agonist Able To Bind to Canonical and Alternative Sites of PPAR gamma and To Inhibit Its Cdk5-Mediated Phosphorylation. J.Med.Chem., 61, 2018
6CBZ	Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Estradiol and GRIP Peptide 分子名称: ESTRADIOL, Estrogen receptor, GLYCEROL, ... 著者 Fanning, S.W, Greene, G.L. 登録日 2018-02-05 公開日 2018-02-28 最終更新日 2020-02-26 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer. Mol. Pharmacol., 94, 2018
3P6C	Human adipocyte lipid-binding protein FABP4 in complex with citric acid 分子名称: CITRIC ACID, Fatty acid-binding protein, adipocyte 著者 Gonzalez, J.M, Pozharski, E. 登録日 2010-10-11 公開日 2011-04-13 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Structural analysis of ibuprofen binding to human adipocyte fatty-acid binding protein (FABP4). Acta Crystallogr F Struct Biol Commun, 71, 2015
4DL2	Human DNA polymerase eta inserting dCMPNPP opposite CG template (GG0a) 分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*CP*GP*GP*CP*TP*CP*AP*CP*AP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*TP*GP*TP*GP*AP*G)-3'), ... 著者 Zhao, Y, Biertumpfel, C, Gregory, M, Hua, Y, Hanaoka, F, Yang, W. 登録日 2012-02-05 公開日 2012-05-09 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural Basis for Chemoresistance to Cisplatin Mediated by DNA Polymerase eta Proc.Natl.Acad.Sci.USA, 109, 2012
6CBL	x-ray structure of NeoB from Streptomyces fradiae in complex with neamine as an external aldimine 分子名称: (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranoside, CHLORIDE ION, Neamine transaminase NeoN 著者 Thoden, J.B, Dow, G.T, Holden, H.M. 登録日 2018-02-03 公開日 2018-02-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The three-dimensional structure of NeoB: An aminotransferase involved in the biosynthesis of neomycin. Protein Sci., 27, 2018
6CD7	Crystal structure of APH(2")-IVa in complex with plazomicin 分子名称: (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-y l]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide, APH(2'')-Id, CHLORIDE ION 著者 Stogios, P.J, Evdokimova, E, Dong, A, Di Leo, R, Savchenko, A, Satchell, K.J, Joachimiak, J, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2018-02-08 公開日 2018-02-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Plazomicin Retains Antibiotic Activity against Most Aminoglycoside Modifying Enzymes. ACS Infect Dis, 4, 2018
6F3E	IRAK4 IN COMPLEX WITH inhibitor 分子名称: 2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION 著者 Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. 登録日 2017-11-28 公開日 2018-05-23 実験手法 X-RAY DIFFRACTION (2.67 Å) 主引用文献 Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4. Bioorg. Med. Chem., 26, 2018
6CNR	aducanumab apo Fab 分子名称: Aducanumab heavy chain, Aducanumab light chain, SULFATE ION 著者 Arndt, J.W. 登録日 2018-03-08 公開日 2018-05-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Structural and kinetic basis for the selectivity of aducanumab for aggregated forms of amyloid-beta. Sci Rep, 8, 2018
4DOR	Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human SHP Box1 分子名称: L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor subfamily 0 group B member 2, Nuclear receptor subfamily 5 group A member 2 著者 Musille, P.M, Ortlund, E.A. 登録日 2012-02-10 公開日 2012-04-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation. Nat.Struct.Mol.Biol., 19, 2012
4DOB	Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochlororomethylene triphosphate: Stereoselective binding of R-isomer 分子名称: 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine, C C G A C C G C G C A T C A G C, CHLORIDE ION, ... 著者 Batra, V.K. 登録日 2012-02-09 公開日 2012-06-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Beta,Gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases J.Am.Chem.Soc., 134, 2012
6F4Q	Human JMJD5 (Q275C) in complex with Mn(II), NOG and RPS6-A138C (129-144) (complex-2) 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 40S ribosomal protein S6, GLYCEROL, ... 著者 Chowdhury, R, Islam, M.S, Schofield, C.J. 登録日 2017-11-29 公開日 2018-04-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 JMJD5 is a human arginyl C-3 hydroxylase. Nat Commun, 9, 2018
4M97	Calcium-Dependent Protein Kinase 1 from Neospora caninum 分子名称: Calmodulin-like domain protein kinase isoenzyme gamma, related 著者 Merritt, E.A. 登録日 2013-08-14 公開日 2013-10-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
7KP6	Structure of Ack1 kinase in complex with a selective inhibitor 分子名称: 5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine, Activated CDC42 kinase 1, CHLORIDE ION 著者 Thakur, M.K, Miller, W.T, Mahajan, N, Seeliger, M.A. 登録日 2020-11-10 公開日 2022-02-09 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Inhibiting ACK1-mediated phosphorylation of C-terminal Src kinase counteracts prostate cancer immune checkpoint blockade resistance. Nat Commun, 13, 2022
4DBS	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3'-[(4-nitronaphthalen-1-yl)amino]benzoic acid 分子名称: 3-[(4-nitronaphthalen-1-yl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. 登録日 2012-01-16 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.852 Å) 主引用文献 Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer. Bioorg.Med.Chem.Lett., 22, 2012
6C3N	Crystal structure of BCL6 BTB domain in complex with compound 7CC5 分子名称: B-cell lymphoma 6 protein, N-(2-phenylethyl)-N'-pyridin-3-ylthiourea 著者 Linhares, B, Cheng, H, Xue, F, Cierpicki, T. 登録日 2018-01-10 公開日 2019-01-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.53170586 Å) 主引用文献 Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design. J.Med.Chem., 61, 2018
4M14	Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] 分子名称: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK 著者 Han, S, Caspers, N.L. 登録日 2013-08-02 公開日 2014-04-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors. Biochem.J., 460, 2014
4CM4	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 分子名称: 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, GLYCEROL, ... 著者 Barrack, K.L, Hunter, W.N. 登録日 2014-01-15 公開日 2015-01-21 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
4CYQ	Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 45). 分子名称: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-{2-chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide, ... 著者 Hutton, J.A, Goncalves, V, Brannigan, J.A, Paape, D, Waugh, T, Roberts, S.M, Bell, A.S, Wilkinson, A.J, Smith, D.F, Leatherbarrow, R.J, Tate, E.W. 登録日 2014-04-14 公開日 2014-10-01 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors. J.Med.Chem., 57, 2014

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