PDB: 97138 件ウェブページステータス検索Chemie searchBIRD

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6OIM	Crystal Structure of human KRAS G12C covalently bound to AMG 510 分子名称: AMG 510 (bound form), GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Mohr, C. 登録日 2019-04-09 公開日 2019-11-06 最終更新日 2019-12-18 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 The clinical KRAS(G12C) inhibitor AMG 510 drives anti-tumour immunity. Nature, 575, 2019
2IS2	Crystal structure of UvrD-DNA binary complex 分子名称: 33-MER, DNA helicase II, FORMIC ACID, ... 著者 Yang, W, Lee, J.Y. 登録日 2006-10-16 公開日 2007-01-09 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 UvrD helicase unwinds DNA one base pair at a time by a two-part power stroke. Cell(Cambridge,Mass.), 127, 2006
6O56	HNH Nuclease from S. pyogenes Cas9 分子名称: CRISPR-associated endonuclease Cas9/Csn1 著者 Newton, J.C, Lisi, G.P, Jogl, G. 登録日 2019-03-01 公開日 2020-01-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Allosteric Motions of the CRISPR-Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics. J.Am.Chem.Soc., 142, 2020
6NSP	TRK-A IN COMPLEX WITH LIGAND 9 分子名称: High affinity nerve growth factor receptor, N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide 著者 Subramanian, G, Brown, D.G. 登録日 2019-01-25 公開日 2019-05-22 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors. Acs Chem.Biol., 14, 2019
2I0D	Crystal structure of AD-81 complexed with wild type HIV-1 protease 分子名称: (5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE, ACETATE ION, PHOSPHATE ION, ... 著者 Nalam, M.N.L, Schiffer, C.A, Ali, A, Reddy, K.K, Cao, H, Anjum, S.G, Rana, T.M. 登録日 2006-08-10 公開日 2006-12-19 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands. J.Med.Chem., 49, 2006
6O9R	The capsid structure of empty AAVrh.10 particles 分子名称: Capsid protein VP1 著者 Mietzsch, M, Agbandje-McKenna, M. 登録日 2019-03-14 公開日 2019-12-11 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (2.75 Å) 主引用文献 Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8. J.Virol., 94, 2020
8JYW	Cryo-EM structure of the gasdermin pore from Trichoplax adhaerens 分子名称: Gasdermin pore forming domain-containing protein 著者 Hou, Y.J, Sun, Q, Zeng, H, Ding, J. 登録日 2023-07-04 公開日 2024-05-01 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Cleavage-independent activation of ancient eukaryotic gasdermins and structural mechanisms. Science, 384, 2024
8JYZ	Cryo-EM structure of RCD-1 pore from Neurospora crassa 分子名称: Gasdermin-like protein rcd-1-1, Gasdermin-like protein rcd-1-2 著者 Hou, Y.J, Sun, Q, Li, Y, Ding, J. 登録日 2023-07-04 公開日 2024-05-01 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (3.63 Å) 主引用文献 Cleavage-independent activation of ancient eukaryotic gasdermins and structural mechanisms. Science, 384, 2024
4ZHM	The crystal structure of mupain-1--16-IG in complex with murinised human uPA at pH7.4 分子名称: Urokinase-type plasminogen activator, mupain-1-16-IG, piperidine-1-carboximidamide 著者 Jiang, L, Andreasen, P.A, Huang, M. 登録日 2015-04-25 公開日 2015-09-16 最終更新日 2015-10-14 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Selection of High-Affinity Peptidic Serine Protease Inhibitors with Increased Binding Entropy from a Back-Flip Library of Peptide-Protease Fusions. J.Mol.Biol., 427, 2015
6OT1	Cryo-EM structure of vaccine-elicited antibody 0PV-b.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122 分子名称: 0PV-b.01 heavy, 0PV-b.01 light, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Gorman, J, Kwong, P.D. 登録日 2019-05-02 公開日 2019-08-07 最終更新日 2020-07-29 実験手法 ELECTRON MICROSCOPY (3.5 Å) 主引用文献 Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization. Cell, 178, 2019
5NFP	Glucocorticoid Receptor in complex with budesonide 分子名称: (1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S},13~{R})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one, 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ... 著者 Edman, K, Wissler, L. 登録日 2017-03-15 公開日 2017-10-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases. J. Med. Chem., 60, 2017
6AOJ	Crystal structure of Legionella pneumophila effector Ceg4 with N-terminal yeast Hog1p sequence 分子名称: CHLORIDE ION, Ceg4, MAGNESIUM ION 著者 Stogios, P.J, Nocek, B, Cuff, M.E, Evdokimova, E, Egorova, O, Yim, V, Di Leo, R, Savchenko, A. 登録日 2017-08-16 公開日 2018-01-10 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.902 Å) 主引用文献 TheLegionella pneumophilaeffector Ceg4 is a phosphotyrosine phosphatase that attenuates activation of eukaryotic MAPK pathways. J. Biol. Chem., 293, 2018
6OSY	Cryo-EM structure of vaccine-elicited antibody 0PV-a.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122 分子名称: 0PV-a.01 Heavy, 0PV-a.01 Light, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Gorman, J, Kwong, P.D. 登録日 2019-05-02 公開日 2019-07-24 最終更新日 2020-07-29 実験手法 ELECTRON MICROSCOPY (4.3 Å) 主引用文献 Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization. Cell, 178, 2019
5OOG	Human biliverdin IX beta reductase: NADP/Phloxine B ternary complex 分子名称: Flavin reductase (NADPH), GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Manso, J.A, Pereira, P.J.B. 登録日 2017-08-07 公開日 2018-03-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 In silicoand crystallographic studies identify key structural features of biliverdin IX beta reductase inhibitors having nanomolar potency. J. Biol. Chem., 293, 2018
3RB3	Dpo4 extension ternary complex with 3'-terminal primer A base opposite the 1-methylguanine (m1g) lesion 分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... 著者 Rechkoblit, O, Patel, D.J. 登録日 2011-03-28 公開日 2011-06-15 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Implications for damage recognition during Dpo4-mediated mutagenic bypass of m1G and m3C lesions. Structure, 19, 2011
6AOK	Crystal structure of Legionella pneumophila effector Ceg4 with N-terminal TEV protease cleavage sequence 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Ceg4, ... 著者 Stogios, P.J, Cuff, M.E, Nocek, B, Evdokimova, E, Egorova, O, Yim, V, Di Leo, R, Savchenko, A. 登録日 2017-08-16 公開日 2018-01-10 最終更新日 2018-03-28 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 TheLegionella pneumophilaeffector Ceg4 is a phosphotyrosine phosphatase that attenuates activation of eukaryotic MAPK pathways. J. Biol. Chem., 293, 2018
7MJ5	complex of human thrombin with XC-43 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Putative secreted salivary protein, SODIUM ION, ... 著者 Lu, S, Tirloni, L, Andersen, J.F. 登録日 2021-04-19 公開日 2021-12-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Identification of a substrate-like cleavage-resistant thrombin inhibitor from the saliva of the flea Xenopsylla cheopis. J.Biol.Chem., 297, 2021
5NFT	Glucocorticoid Receptor in complex with AZD5423 分子名称: 1,2-ETHANEDIOL, 2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide, Glucocorticoid receptor, ... 著者 Edman, K, Wissler, L. 登録日 2017-03-15 公開日 2017-10-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases. J. Med. Chem., 60, 2017
5OOH	Human biliverdin IX beta reductase: NADP/Erythrosin extra bluish ternary complex 分子名称: Erythrosin, Flavin reductase (NADPH), GLYCEROL, ... 著者 Manso, J.A, Pereira, P.J.B. 登録日 2017-08-07 公開日 2018-03-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 In silicoand crystallographic studies identify key structural features of biliverdin IX beta reductase inhibitors having nanomolar potency. J. Biol. Chem., 293, 2018
2FGV	X-ray crystal structure of HIV-1 Protease T80N variant in complex with the inhibitor saquinavir used to explore the role of invariant Thr80 in HIV-1 protease structure, function, and viral infectivity. 分子名称: (2S)-2-amino-3-phenylpropane-1,1-diol, 2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, ASPARAGINE, ... 著者 Foulkes, J.E, Prabu-Jeyabalan, M, Cooper, D, Schiffer, C.A. 登録日 2005-12-22 公開日 2006-11-07 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Role of invariant Thr80 in human immunodeficiency virus type 1 protease structure, function, and viral infectivity. J.Virol., 80, 2006
2FGU	X-ray crystal structure of HIV-1 Protease T80S variant in complex with the inhibitor saquinavir used to explore the role of invariant Thr80 in HIV-1 protease structure, function, and viral infectivity. 分子名称: (2S)-2-amino-3-phenylpropane-1,1-diol, 2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, ASPARAGINE, ... 著者 Foulkes, J.E, Prabu-Jeyabalan, M, Cooper, D, Schiffer, C.A. 登録日 2005-12-22 公開日 2006-11-07 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Role of invariant Thr80 in human immunodeficiency virus type 1 protease structure, function, and viral infectivity. J.Virol., 80, 2006
4DTJ	RB69 DNA Polymerase Ternary Complex with dTTP Opposite an Abasic Site and ddT/dA as the Penultimate Base-pair 分子名称: CALCIUM ION, DNA polymerase, DNA primer, ... 著者 Xia, S, Wang, J, Konigsberg, W.H. 登録日 2012-02-21 公開日 2012-06-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA. Biochemistry, 51, 2012
4DTO	RB69 DNA Polymerase Ternary Complex with dCTP Opposite an Abasic Site and ddA/dT as the Penultimate Base-pair 分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... 著者 Xia, S, Wang, J, Konigsberg, W.H. 登録日 2012-02-21 公開日 2012-06-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA. Biochemistry, 51, 2012
6W74	Structure of cIAP with compound 15 分子名称: 14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate, Baculoviral IAP repeat-containing protein 2, ZINC ION 著者 Calabrese, M.F, Schiemer, J.S. 登録日 2020-03-18 公開日 2020-11-18 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Structural Characterization of BTK:PROTAC:cIAP Ternary Complexes: From Snapshots to Ensembles Nat.Chem.Biol., 2020
3C43	Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin inhibitor 分子名称: (2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Scapin, G, Edmondson, S.D, Weber, A.E. 登録日 2008-01-29 公開日 2008-04-22 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors Bioorg.Med.Chem.Lett., 18, 2008

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