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

---

8DQ8	The structure of NicA2 variant F104L/A107T/S146I/G317D/H368R/L449V/N462S in complex with N-methylmyosmine 分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 1,2-ETHANEDIOL, Amine oxidase, ... 著者 Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A. 登録日 2022-07-18 公開日 2023-07-26 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme. Nat.Chem.Biol., 19, 2023
3K1M	Crystal Structure of full-length BenM, R156H mutant 分子名称: CHLORIDE ION, GLYCEROL, HTH-type transcriptional regulator benM, ... 著者 Ruangprasert, A, Momany, C, Neidle, E.L, Craven, S.H. 登録日 2009-09-28 公開日 2010-09-29 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Structure of Full-length BenM To be Published
3N5J	Human fpps complex with NOV_311 分子名称: 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION 著者 Rondeau, J.-M. 登録日 2010-05-25 公開日 2010-08-18 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
3B70	Crystal structure of Aspergillus terreus trans-acting lovastatin polyketide enoyl reductase (LovC) with bound NADP 分子名称: Enoyl reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Ames, B.D, Smith, P.T, Ma, S.M, Wong, E.W, Xie, X, Vederas, J.C, Tang, Y, Tsai, S.-C. 登録日 2007-10-29 公開日 2008-09-16 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Crystal structure and biochemical studies of the trans-acting polyketide enoyl reductase LovC from lovastatin biosynthesis. Proc.Natl.Acad.Sci.USA, 109, 2012
3B23	Crystal structure of thrombin-variegin complex: Insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors 分子名称: Thrombin heavy chain, Thrombin light chain, Variegin 著者 Koh, C.Y, Kumar, S, Swaminathan, K, Kini, R.M. 登録日 2011-07-20 公開日 2011-11-23 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of thrombin in complex with s-variegin: insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors Plos One, 6, 2011
6O2N	CDTb Double Heptamer Short Form Modeled from Cryo-EM Map Reconstructed using C7 Symmetry 分子名称: ADP-ribosyltransferase binding component 著者 Lacy, D.B, Sheedlo, M.J, Anderson, D.M. 登録日 2019-02-24 公開日 2019-10-30 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 Structural insights into the transition of Clostridioides difficile binary toxin from prepore to pore. Nat Microbiol, 5, 2020
1XKK	EGFR kinase domain complexed with a quinazoline inhibitor- GW572016 分子名称: Epidermal growth factor receptor, N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE, PHOSPHATE ION 著者 Wood, E.R, Truesdale, A.T, McDonald, O.B, Yuan, D, Hassell, A, Dickerson, S.H, Ellis, B, Pennisi, C, Horne, E, Lackey, K, Alligood, K.J, Rusnak, D.W, Gilmer, T.M, Shewchuk, L.M. 登録日 2004-09-29 公開日 2004-12-07 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 A unique structure for epidermal growth factor receptor bound to GW572016 (Lapatinib): relationships among protein conformation, inhibitor off-rate, and receptor activity in tumor cells. Cancer Res., 64, 2004
6GG8	Mineralocorticoid receptor in complex with (s)-13 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Mineralocorticoid receptor, Nuclear receptor coactivator 1, ... 著者 Edman, K, Aagaard, A, Tangefjord, S. 登録日 2018-05-03 公開日 2019-01-09 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection. J.Med.Chem., 62, 2019
6NBD	Human methemoglobin state 2 determined using single-particle cryo-EM at 200 keV 分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE 著者 Herzik Jr, M.A, Wu, M, Lander, G.C. 登録日 2018-12-06 公開日 2019-02-13 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 High-resolution structure determination of sub-100 kDa complexes using conventional cryo-EM. Nat Commun, 10, 2019
3J48	Cryo-EM structure of Poliovirus 135S particles 分子名称: Protein VP1, Protein VP2, Protein VP3 著者 Butan, C, Fiman, D.J, Hogle, J.M. 登録日 2013-06-28 公開日 2013-12-04 最終更新日 2024-02-21 実験手法 ELECTRON MICROSCOPY (5.5 Å) 主引用文献 Cryo-Electron Microscopy Reconstruction Shows Poliovirus 135S Particles Poised for Membrane Interaction and RNA Release. J.Virol., 88, 2014
3B8K	Structure of the Truncated Human Dihydrolipoyl Acetyltransferase (E2) 分子名称: Dihydrolipoyllysine-residue acetyltransferase 著者 Yu, X, Hiromasa, Y, Tsen, H, Stoops, J.K, Roche, T.E, Zhou, Z.H. 登録日 2007-11-01 公開日 2008-01-22 最終更新日 2024-02-21 実験手法 ELECTRON MICROSCOPY (8.8 Å) 主引用文献 Structures of the human pyruvate dehydrogenase complex cores: a highly conserved catalytic center with flexible N-terminal domains Structure, 16, 2008
6BRX	Crystal Structure of Human DNA polymerase kappa in complex with DNA containing the major cisplatin lesion 分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DI(HYDROXYETHYL)ETHER, ... 著者 Jha, V.K, Ling, H. 登録日 2017-12-01 公開日 2018-08-22 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural Basis for Human DNA Polymerase Kappa to Bypass Cisplatin Intrastrand Cross-Link (Pt-GG) Lesion as an Efficient and Accurate Extender. J. Mol. Biol., 430, 2018
6O1G	Full length human plasma kallikrein with inhibitor 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, Plasma kallikrein 著者 Partridge, J.R, Choy, R.M. 登録日 2019-02-19 公開日 2019-03-06 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition. J.Struct.Biol., 206, 2019
2H8S	Solution structure of alpha-conotoxin Vc1.1 分子名称: Alpha-conotoxin Vc1A 著者 Clark, R.J, Fischer, H, Nevin, S.T, Adams, D.J, Craik, D.J. 登録日 2006-06-07 公開日 2006-06-27 最終更新日 2022-03-09 実験手法 SOLUTION NMR 主引用文献 The Synthesis, Structural Characterization, and Receptor Specificity of the {alpha}-Conotoxin Vc1.1. J.Biol.Chem., 281, 2006
3JWT	Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... 著者 Delker, S.L, Li, H, Poulos, T.L. 登録日 2009-09-18 公開日 2010-05-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
3JX1	Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... 著者 Delker, S.L, Li, H, Poulos, T.L. 登録日 2009-09-18 公開日 2010-05-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
3JQ6	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6,7-bis(1-methylethyl)pteridine-2,4-diamine (DX1) 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6,7-bis(1-methylethyl)pteridine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Tulloch, L.B, Hunter, W.N. 登録日 2009-09-06 公開日 2009-12-08 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
3JQE	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (DX8) 分子名称: 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Tulloch, L.B, Hunter, W.N. 登録日 2009-09-06 公開日 2009-12-08 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
1YIM	Human estrogen receptor alpha ligand-binding domain in complex with compound 4 分子名称: (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL, Estrogen receptor 著者 Fitzgerald, P.M, Sharma, N. 登録日 2005-01-12 公開日 2005-07-26 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs. Bioorg.Med.Chem.Lett., 15, 2005
4DTG	Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Humanized recombinant FAB fragment, ... 著者 Svensson, L.A, Breinholt, J, Krogh, B.O, Hilden, I. 登録日 2012-02-21 公開日 2012-06-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model. Blood, 119, 2012
4R6S	Crystal structure of PPARgammma in complex with SR1663 分子名称: 4'-[(2,3-dimethyl-5-{[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma 著者 Marciano, D.P, Griffin, P.R, Bruning, J.B. 登録日 2014-08-26 公開日 2015-07-01 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.301 Å) 主引用文献 Pharmacological repression of PPAR gamma promotes osteogenesis. Nat Commun, 6, 2015
8OLY	Structure of Oceanobacillus iheyensis group II intron post first step of splicing in the presence of K+, Mg2+ and intronistat B 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-exon, Group IIC intron, ... 著者 Silvestri, I, Marcia, M. 登録日 2023-03-30 公開日 2024-06-19 最終更新日 2024-07-03 実験手法 X-RAY DIFFRACTION (3.11 Å) 主引用文献 Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
8KHR	Cryo-EM structure of EBV gH/gL-gp42 in complex with fab 2C1 分子名称: 2C1 heavy chain, 2C1 light chain, Envelope glycoprotein H, ... 著者 Fang, X.Y, Zhao, G.X, Zeng, M.S, Liu, Z. 登録日 2023-08-22 公開日 2024-06-19 実験手法 ELECTRON MICROSCOPY (3.25 Å) 主引用文献 Potent human monoclonal antibodies targeting Epstein-Barr virus gp42 reveal vulnerable sites for virus infection. Cell Rep Med, 5, 2024
8OM0	Structure of Oceanobacillus iheyensis group II intron in the presence of Na+, Mg2+ and intronistat B 分子名称: 3,4,5-trihydroxybenzoic acid, Domains 1-5, MAGNESIUM ION, ... 著者 Silvestri, I, Marcia, M. 登録日 2023-03-31 公開日 2024-06-19 最終更新日 2024-07-03 実験手法 X-RAY DIFFRACTION (3.61 Å) 主引用文献 Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
3B1B	The unique structure of wild type carbonic anhydrase alpha-CA1 from Chlamydomonas reinhardtii 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase 1, SULFATE ION, ... 著者 Shimizu, S, Takenaka, A. 登録日 2011-06-29 公開日 2011-11-16 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 The unique structure of carbonic anhydrase alpha CA1 from Chlamydomonas reinhardtii Acta Crystallogr.,Sect.D, 67, 2011

<256257258259260261262263264265266267268269270271>