PDB: 242842 件ウェブページステータス検索Chemie searchBIRD

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8HE3	Crystal structure of importin-alpha1 bound to the HIF-1alpha nuclear localization signal (delta 724-751) 分子名称: Hypoxia-inducible factor 1-alpha, Importin subunit alpha-1, SULFATE ION 著者 Matsuura, Y. 登録日 2022-11-07 公開日 2023-02-22 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structures of importin-alpha bound to the wild-type and an internal deletion mutant of the bipartite nuclear localization signal of HIF-1 alpha. Biochem.Biophys.Res.Commun., 652, 2023
3TV3	Crystal structure of broad and potent HIV-1 neutralizing antibody PGT128 in complex with Man9 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMYLAMINE, GLYCEROL, ... 著者 Pejchal, R, Wilson, I.A. 登録日 2011-09-19 公開日 2011-10-19 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 A potent and broad neutralizing antibody recognizes and penetrates the HIV glycan shield. Science, 334, 2011
9LRR	Cryo-EM structure of Na+-translocating NADH-ubiquinone oxidoreductase NqrB-G141A mutant from Vibrio cholerae with bound korormicin A 分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ... 著者 Ishikawa-Fukuda, M, Kishikawa, J, Kato, T, Murai, M. 登録日 2025-02-01 公開日 2025-04-23 最終更新日 2025-05-21 実験手法 ELECTRON MICROSCOPY (2.68 Å) 主引用文献 Structural Elucidation of the Mechanism for Inhibitor Resistance in the Na + -Translocating NADH-Ubiquinone Oxidoreductase from Vibrio cholerae. Biochemistry, 64, 2025
8I1C	Crystal structure of human MTH1(G2K mutant) in complex with 8-oxo-dGTP at pH 9.1 分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, SODIUM ION 著者 Nakamura, T, Yamagata, Y. 登録日 2023-01-13 公開日 2023-03-22 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition. Febs Lett., 597, 2023
9LVR	Crystal structure of SARS-CoV-2 3CL protease in complex with compound 1 分子名称: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, 6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-1-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione 著者 Unoh, Y, Hirai, K, Uehara, S, Kawashima, S, Nobori, H, Sato, J, Shibayama, H, Hori, A, Nakahara, K, Kurahashi, K, Takamatsu, M, Yamamoto, S, Zhang, O, Tanimura, M, Dodo, R, Maruyama, Y, Sawa, H, Watari, R, Miyano, T, Kato, T, Sato, T, Tachibana, Y. 登録日 2025-02-12 公開日 2025-05-14 最終更新日 2025-08-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery of the Clinical Candidate S-892216 : A Second-Generation of SARS-CoV-2 3CL Protease Inhibitor for Treating COVID-19. J.Med.Chem., 2025
8I1G	Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP at pH 9.1 分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, SODIUM ION, ... 著者 Nakamura, T, Yamagata, Y. 登録日 2023-01-13 公開日 2023-03-22 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.18 Å) 主引用文献 Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition. Febs Lett., 597, 2023
4Y69	Yeast 20S proteasome in complex with Ac-PAD-ep 分子名称: Ac-PAD-ep, CHLORIDE ION, MAGNESIUM ION, ... 著者 Huber, E.M, Groll, M. 登録日 2015-02-12 公開日 2015-06-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
4EV4	Crystal structure of serratia fonticola carbapenemase SFC-1 E166A mutant with the acylenzyme intermediate of meropenem 分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1 著者 Fonseca, F, Spencer, J. 登録日 2012-04-25 公開日 2012-05-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations. J.Am.Chem.Soc., 134, 2012
8HBF	Structure of human soluble guanylate cyclase in the NO+Rio state at 3.1 angstrom 分子名称: Guanylate cyclase soluble subunit alpha-1, Guanylate cyclase soluble subunit beta-1, MAGNESIUM ION, ... 著者 Chen, L, Liu, R. 登録日 2022-10-28 公開日 2023-04-19 最終更新日 2025-07-02 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 NO binds to the distal site of haem in the fully activated soluble guanylate cyclase. Nitric Oxide, 134-135, 2023
1TK4	Crystal structure of russells viper phospholipase A2 in complex with a specifically designed tetrapeptide Ala-Ile-Arg-Ser at 1.1 A resolution 分子名称: Phospholipase A2 VRV-PL-VIIIa, SULFATE ION, Tetrapeptide Ala-Ile-Arg-Ser 著者 Singh, N, Bilgrami, S, Somvanshi, R.K, Sharma, S, Dey, S, Perbandt, M, Betzel, C, Kaur, P, Singh, T.P. 登録日 2004-06-08 公開日 2004-06-22 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Crystal structure of russells viper phospholipase A2 with a specifically designed tetrapeptide Ala-Ile-Arg-Ser at 1.1 A resolution TO BE PUBLISHED
7VUO	Crystal Structure of the Kv7.1 C-terminal Domain in Complex with Calmodulin disease mutation F141L 分子名称: CALCIUM ION, Calmodulin-1, Kv7.1 著者 Chen, L. 登録日 2021-11-03 公開日 2022-11-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.679 Å) 主引用文献 Crystal Structure of the Kv7.1 C-terminal Domain in Complex with Calmodulin disease mutation F141L To Be Published
4EA2	Crystal structure of dehydrosqualene synthase (Crtm) aureus complexed with SQ-109 分子名称: Dehydrosqualene synthase, MAGNESIUM ION, N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine, ... 著者 Lin, F.-Y, Li, K, Liu, Y.-L, Oldfield, E. 登録日 2012-03-21 公開日 2012-04-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets. J.Med.Chem., 55, 2012
1TLC	THYMIDYLATE SYNTHASE COMPLEXED WITH DGMP AND FOLATE ANALOG 1843U89 分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, THYMIDYLATE SYNTHASE 著者 Weichsel, A, Montfort, W.R, Ciesla, J, Maley, F. 登録日 1995-03-07 公開日 1995-06-03 最終更新日 2025-03-26 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Promotion of purine nucleotide binding to thymidylate synthase by a potent folate analogue inhibitor, 1843U89. Proc.Natl.Acad.Sci.USA, 92, 1995
1TBC	HIV-1 TAT, NMR, 10 STRUCTURES 分子名称: TAT PROTEIN 著者 Roesch, P, Boehm, M, Sticht, H. 登録日 1998-03-13 公開日 1999-03-23 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Solution Structure of HIV-1 Tat Protein To be Published
6NRH	Crystal Structure of human PARP-1 ART domain bound inhibitor UTT63 分子名称: 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... 著者 Langelier, M.F, Pascal, J.M. 登録日 2019-01-23 公開日 2019-08-14 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
8H9S	Human ATP synthase state 1 (combined) 分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... 著者 Lai, Y, Zhang, Y, Liu, F, Gao, Y, Gong, H, Rao, Z. 登録日 2022-10-25 公開日 2023-05-31 最終更新日 2025-06-18 実験手法 ELECTRON MICROSCOPY (2.53 Å) 主引用文献 Structure of the human ATP synthase. Mol.Cell, 83, 2023
1TCW	SIV PROTEASE COMPLEXED WITH INHIBITOR SB203386 分子名称: (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, SIV PROTEASE 著者 Hoog, S.S, Abdel-Meguid, S.S. 登録日 1996-06-05 公開日 1996-12-07 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Human immunodeficiency virus protease ligand specificity conferred by residues outside of the active site cavity. Biochemistry, 35, 1996
1THE	CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN 分子名称: Cathepsin B, amino{[(4S)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2S)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium 著者 Huber, C.P, Jia, Z. 登録日 1995-09-15 公開日 1996-03-10 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structures of recombinant rat cathepsin B and a cathepsin B-inhibitor complex. Implications for structure-based inhibitor design. J.Biol.Chem., 270, 1995
1SUP	SUBTILISIN BPN' AT 1.6 ANGSTROMS RESOLUTION: ANALYSIS OF DISCRETE DISORDER AND COMPARISON OF CRYSTAL FORMS 分子名称: CALCIUM ION, SODIUM ION, SUBTILISIN BPN', ... 著者 Gallagher, D.T, Oliver, J.D, Betzel, C, Gilliland, G.L. 登録日 1995-08-14 公開日 1995-11-14 最終更新日 2024-12-25 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Subtilisin BPN' at 1.6 A resolution: analysis for discrete disorder and comparison of crystal forms. Acta Crystallogr.,Sect.D, 52, 1996
4Y7X	Yeast 20S proteasome in complex with Ac-PAA-ep 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-PPA-ep, CHLORIDE ION, ... 著者 Huber, E.M, Groll, M. 登録日 2015-02-16 公開日 2015-06-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
4Y8Z	Factor XIa in complex with the inhibitor (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide 分子名称: (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide, 1,2-ETHANEDIOL, Coagulation factor XIa, ... 著者 Sheriff, S. 登録日 2015-02-16 公開日 2015-05-27 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety. ACS Med Chem Lett, 6, 2015
6NRJ	Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT93 分子名称: (2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... 著者 Langelier, M.F, Pascal, J.M. 登録日 2019-01-23 公開日 2019-08-14 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
7VWM	Crystal Structure of the Y53F/N55A/I116V mutant of LEH 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D. 登録日 2021-11-11 公開日 2023-01-18 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles. Nat Commun, 13, 2022
9CCJ	Dissecting human monoclonal antibody responses from mRNA and protein-based booster vaccinations against XBB1.5 SARS-CoV-2 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, M2 Fab Heavy Chain, ... 著者 Bajic, G, Civljak, A. 登録日 2024-06-21 公開日 2025-03-12 最終更新日 2025-08-20 実験手法 ELECTRON MICROSCOPY (2.37 Å) 主引用文献 Mapping of human monoclonal antibody responses to XBB.1.5 COVID-19 monovalent vaccines: a B cell analysis. Lancet Microbe, 6, 2025
4Y7B	Factor Xa complex with GTC000441 分子名称: 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X 著者 Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. 登録日 2015-02-13 公開日 2015-09-30 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Factor Xa complex with GTC000441 to be published

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