PDB: 217477 件ウェブページステータス検索Chemie searchBIRD

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7WED	SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv347 分子名称: Spike protein S1, The heavy chain of Fab XGv347, The light chain of Fab XGv347 著者 Wang, X, Wang, L. 登録日 2021-12-23 公開日 2022-04-13 実験手法 ELECTRON MICROSCOPY (3.5 Å) 主引用文献 Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants. Nature, 603, 2022
4GS9	Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with an inactive benzoxadiazole antagonist 分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, ... 著者 Scheuermann, T.H, Gardner, K.H. 登録日 2012-08-27 公開日 2013-04-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Development of Inhibitors of the PAS-B Domain of the HIF-2 alpha Transcription Factor J.Med.Chem., 56, 2013
2Y9F	High-resolution Structural Insights on the Sugar-recognition and Fusion Tag Properties of a Versatile b-Trefoil Lectin Domain 分子名称: HEMOLYTIC LECTIN LSLA 著者 Angulo, I, Acebron, I, de las Rivas, B, Munoz, R, Rodriguez, J.I, Menendez, M, Garcia, P, Tateno, H, Goldstein, I.J, Perez-Agote, B, Mancheno, J.M. 登録日 2011-02-14 公開日 2011-10-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 High-Resolution Structural Insights on the Sugar-Recognition and Fusion Tag Properties of a Versatile Beta-Trefoil Lectin Domain from the Mushroom Laetiporus Sulphureus. Glycobiology, 21, 2011
1UDU	Crystal structure of Human Phosphodiesterase 5 complexed with tadalafil(Cialis) 分子名称: 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE, MAGNESIUM ION, ZINC ION, ... 著者 Sung, B.-J, Lee, J.I, Heo, Y.-S, Kim, J.H, Moon, J, Yoon, J.M, Hyun, Y.-L, Kim, E, Eum, S.J, Lee, T.G, Cho, J.M, Park, S.-Y, Lee, J.-O, Jeon, Y.H, Hwang, K.Y, Ro, S. 登録日 2003-05-06 公開日 2004-05-11 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.83 Å) 主引用文献 Structure of the catalytic domain of human phosphodiesterase 5 with bound drug molecules Nature, 425, 2003
1O5B	Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) 分子名称: 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CITRIC ACID, Urokinase-type plasminogen activator 著者 Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. 登録日 2003-09-09 公開日 2004-09-21 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA) J.Mol.Biol., 344, 2004
2BG7	Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. 分子名称: BETA-LACTAMASE II, GLYCEROL, SULFATE ION, ... 著者 Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. 登録日 2004-12-17 公開日 2005-03-31 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism Biochemistry, 44, 2005
1SGP	ALA 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B 分子名称: PHOSPHATE ION, STREPTOMYCES GRISEUS PROTEINASE B, TURKEY OVOMUCOID INHIBITOR 著者 Huang, K, James, M.N.G. 登録日 1995-05-26 公開日 1995-10-15 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B. Protein Sci., 4, 1995
2X5U	80 microsecond Laue diffraction snapshot from crystals of a photosynthetic reaction centre without illumination. 分子名称: BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, FE (II) ION, ... 著者 Wohri, A.B, Katona, G, Johansson, L.C, Fritz, E, Malmerberg, E, Andersson, M, Vincent, J, Eklund, M, Cammarata, M, Wulff, M, Davidsson, J, Groenhof, G, Neutze, R. 登録日 2010-02-10 公開日 2010-05-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Light-induced structural changes in a photosynthetic reaction center caught by Laue diffraction. Science, 328, 2010
1SGQ	GLY 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B 分子名称: PHOSPHATE ION, STREPTOMYCES GRISEUS PROTEINASE B, TURKEY OVOMUCOID INHIBITOR 著者 Huang, K, James, M.N.G. 登録日 1995-05-26 公開日 1995-10-15 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B. Protein Sci., 4, 1995
4LKO	Crystal structure of human DPP-IV in complex with BMS-744891 分子名称: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Dipeptidyl peptidase 4 著者 Klei, H.E. 登録日 2013-07-08 公開日 2013-09-04 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J.Med.Chem., 56, 2013
3T4A	Structure of a truncated form of Staphylococcal Complement Inhibitor B bound to human C3c at 3.4 Angstrom resolution 分子名称: Complement C3 beta chain, Complement C3c alpha' chain fragment 1, Complement C3c alpha' chain fragment 2, ... 著者 Garcia, B.L, Geisbrecht, B.V, Summers, B.J. 登録日 2011-07-25 公開日 2011-11-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family. J.Biol.Chem., 287, 2012
1KMR	Solution NMR Structure of Surfactant Protein B (11-25) (SP-B11-25) 分子名称: PULMONARY SURFACTANT-ASSOCIATED PROTEIN B 著者 Kurutz, J.W, Lee, K.Y.C. 登録日 2001-12-17 公開日 2002-08-07 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 NMR structure of lung surfactant peptide SP-B(11-25). Biochemistry, 41, 2002
1N8N	Crystal structure of the Au3+ complex of AphA class B acid phosphatase/phosphotransferase from E. coli at 1.69 A resolution 分子名称: Class B acid phosphatase, GOLD 3+ ION 著者 Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S. 登録日 2002-11-21 公開日 2004-02-03 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold. J.Mol.Biol., 335, 2004
3OWK	Human CK2 catalytic domain in complex with a benzopyridoindole derivative inhibitor 分子名称: 7-chloro-10-methyl-11H-benzo[g]pyrido[4,3-b]indol-3-ol, CSNK2A1 protein, SULFATE ION 著者 Reiser, J.-B, Prudent, R, Cochet, C. 登録日 2010-09-20 公開日 2010-12-15 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Antitumor activity of pyridocarbazole and benzopyridoindole derivatives that inhibit protein kinase CK2. Cancer Res., 70, 2010
1NAN	MCH CLASS I H-2KB MOLECULE COMPLEXED WITH PBM1 PEPTIDE 分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ... 著者 Reiser, J.-B, Darnault, C, Gregoire, C, Mosser, T, Mazza, G, Kearnay, A, van der Merwe, P.A, Fontecilla-Camps, J.C, Housset, D, Malissen, B. 登録日 2002-11-28 公開日 2003-03-11 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 CDR3 loop flexibility contributes to the degeneracy of TCR recognition Nat.Immunol., 4, 2003
3OMZ	Crystal structure of MICA-specific human gamma delta T cell receptor 分子名称: human Vdelta1 gamma delta T cell receptor delta1A/B-3 著者 Xu, B, Holmes, M.A, Strong, R.K. 登録日 2010-08-27 公開日 2011-01-26 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (3.04 Å) 主引用文献 Crystal structure of a {gamma}{delta} T-cell receptor specific for the human MHC class I homolog MICA. Proc.Natl.Acad.Sci.USA, 108, 2011
3OWJ	Human CK2 catalytic domain in complex with a pyridocarbazole derivative inhibitor 分子名称: 9-hydroxy-5,11-dimethyl-4,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one, CSNK2A1 protein 著者 Reiser, J.-B, Prudent, R, Cochet, C. 登録日 2010-09-20 公開日 2010-12-15 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Antitumor activity of pyridocarbazole and benzopyridoindole derivatives that inhibit protein kinase CK2. Cancer Res., 70, 2010
4M7B	Human tankyrase 2 - catalytic Parp domain in complex with an inhibitor UPF1854 分子名称: 4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol, SULFATE ION, Tankyrase-2, ... 著者 Karlberg, T, Camaioni, E, Schuler, H. 登録日 2013-08-12 公開日 2014-03-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Design, Synthesis, Crystallographic Studies, and Preliminary Biological Appraisal of New Substituted Triazolo[4,3-b]pyridazin-8-amine Derivatives as Tankyrase Inhibitors. J.Med.Chem., 57, 2014
1Q0P	A domain of Factor B 分子名称: Complement factor B, MANGANESE (II) ION 著者 Bhattacharya, A.A, Liddington, R.C. 登録日 2003-07-17 公開日 2004-03-30 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of the A Domain from Complement Factor B Reveals an Integrin-like Open Conformation. STRUCTURE, 12, 2004
7L1G	PRMT5-MEP50 Complexed with SAM 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Methylosome protein 50, ... 著者 Palte, R.L. 登録日 2020-12-14 公開日 2021-04-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 Development of a Flexible and Robust Synthesis of Tetrahydrofuro[3,4- b ]furan Nucleoside Analogues. J.Org.Chem., 86, 2021
2BFK	Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH7 using 20mM ZnSO4 in buffer. 1mM DTT was used as a reducing agent 分子名称: AZIDE ION, BETA-LACTAMASE II, GLYCEROL, ... 著者 Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. 登録日 2004-12-07 公開日 2005-03-31 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism Biochemistry, 44, 2005
2BG6	Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT was used as a reducing agent. Cys221 is oxidized. 分子名称: AZIDE ION, BETA-LACTAMASE II, GLYCEROL, ... 著者 Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. 登録日 2004-12-17 公開日 2005-03-31 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism Biochemistry, 44, 2005
3OOM	Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507 分子名称: 1,2-ETHANEDIOL, 1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone, Activin receptor type-1, ... 著者 Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Allerston, C, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) 登録日 2010-08-31 公開日 2010-10-13 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507 To be Published
3BBF	Crystal structure of the NM23-H2 transcription factor complex with GDP 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Weichsel, A, Montfort, W.R. 登録日 2007-11-09 公開日 2008-09-23 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 NM23-H2 may play an indirect role in transcriptional activation of c-myc gene expression but does not cleave the nuclease hypersensitive element III1. Mol.Cancer Ther., 8, 2009
1B9S	NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN THE ACTIVE SITE 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID, CALCIUM ION, ... 著者 Finley, J.B, Atigadda, V.R, Duarte, F, Zhao, J.J, Brouillette, W.J, Air, G.M, Luo, M. 登録日 1999-02-15 公開日 1999-02-26 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site. J.Mol.Biol., 293, 1999

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