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

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4YTI	Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease 分子名称: (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide, Tyrosine-protein kinase JAK2 著者 Zuccola, H.J, Ledeboer, M. 登録日 2015-03-17 公開日 2015-08-12 最終更新日 2015-10-07 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases. J.Med.Chem., 58, 2015
5FNU	Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. 分子名称: (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 著者 Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. 登録日 2015-11-16 公開日 2016-04-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
4DH6	Structure of Bace-1 (Beta-Secretase) in Complex with (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide 分子名称: (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide, Beta-secretase 1, GLYCEROL, ... 著者 Sickmier, E.A. 登録日 2012-01-27 公開日 2012-04-18 最終更新日 2013-07-03 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid. J.Med.Chem., 55, 2012
5JAX	PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP 分子名称: 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, SODIUM ION, ... 著者 Campbell, J.C, Sankaran, B, Kim, C.W. 登録日 2016-04-12 公開日 2017-04-19 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.486 Å) 主引用文献 Structural Basis of Analog Specificity in PKG I and II. ACS Chem. Biol., 12, 2017
2OOB	crystal structure of the UBA domain from Cbl-b ubiquitin ligase in complex with ubiquitin 分子名称: E3 ubiquitin-protein ligase CBL-B, Ubiquitin 著者 Kozlov, G, Gehring, K. 登録日 2007-01-25 公開日 2007-02-06 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis for ubiquitin-mediated dimerization and activation of the ubiquitin protein ligase Cbl-b. Mol.Cell, 27, 2007
6B8R	Crystal structure of Staphylococcal nuclease variant Delta+PHS V23K/L36Q at cryogenic temperature 分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease 著者 Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B, Benning, M. 登録日 2017-10-09 公開日 2017-10-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Dielectric Properties of a Protein Probed by Reversal of a Buried Ion Pair. J Phys Chem B, 122, 2018
3K3A	Crystal Structure of B/Perth Neuraminidase D197E mutant in complex with Oseltamivir 分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 Oakley, A.J, McKimm-Breschkin, J.L. 登録日 2009-10-02 公開日 2010-09-01 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses. J.Med.Chem., 2010
1SGN	ASN 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B 分子名称: Ovomucoid, PHOSPHATE ION, Streptogrisin B 著者 Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. 登録日 1999-03-25 公開日 2003-08-26 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs To be Published
1SGE	GLU 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5 分子名称: Ovomucoid, PHOSPHATE ION, Streptogrisin B 著者 Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. 登録日 1999-03-25 公開日 2003-08-26 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs To be Published
4X8C	Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147 分子名称: CALCIUM ION, Protein-arginine deiminase type-4, [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone 著者 Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J. 登録日 2014-12-10 公開日 2015-01-28 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. Nat.Chem.Biol., 11, 2015
7WYO	Structure of the EV71 3Cpro with 338 inhibitor 分子名称: 3C protein, N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide 著者 Qin, B, Hou, P, Gao, X, Cui, S. 登録日 2022-02-16 公開日 2022-06-22 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.402 Å) 主引用文献 Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease. Acta Pharm Sin B, 12, 2022
7WYL	Structure of the EV71 3Cpro with 337 inhibitor 分子名称: 3C protein, N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide 著者 Qin, B, Hou, P, Gao, X, Cui, S. 登録日 2022-02-16 公開日 2022-06-22 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease. Acta Pharm Sin B, 12, 2022
1OJA	HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH ISATIN 分子名称: AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, ISATIN 著者 Binda, C, Edmondson, D.E, Mattevi, A. 登録日 2003-07-08 公開日 2003-08-15 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Insights Into the Mode of Inhibition of Human Mitochondrial Monoamine Oxidase B from High-Resolution Crystal Structures Proc.Natl.Acad.Sci.USA, 100, 2003
4PCO	Crystal structure of double-stranded RNA with four terminal GU wobble base pairs 分子名称: CHLORIDE ION, COBALT HEXAMMINE(III), RNA (5'-D(*GP*GP*UP*GP*GP*CP*UP*GP*UP*U)-3') 著者 Mooers, B.H.M. 登録日 2014-04-15 公開日 2015-10-14 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Structures and Energetics of Four Adjacent GU Pairs That Stabilize an RNA Helix. J.Phys.Chem.B, 119, 2015
4PO5	Crystal structure of allophycocyanin B from Synechocystis PCC 6803 分子名称: Allophycocyanin beta chain, Allophycocyanin subunit alpha-B, PHYCOCYANOBILIN, ... 著者 Pang, P.P, Dong, L.L, Sun, Y.F, Zeng, X.L, Ding, W.L, Scheer, H, Yang, X, Zhao, K.H. 登録日 2014-02-24 公開日 2014-10-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.751 Å) 主引用文献 The structure of allophycocyanin B from Synechocystis PCC 6803 reveals the structural basis for the extreme redshift of the terminal emitter in phycobilisomes. Acta Crystallogr.,Sect.D, 70, 2014
5VA4	TRIM-Cyclophilin A B-box 2 and coiled-coil chimera 分子名称: TRIM5/cyclophilin A V4 fusion protein, ZINC ION 著者 Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O.W. 登録日 2017-03-24 公開日 2017-11-22 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.306 Å) 主引用文献 General Model for Retroviral Capsid Pattern Recognition by TRIM5 Proteins. J. Virol., 92, 2018
6GG0	Cryo-EM structure of BK polyomavirus like particle in complex with single chain antibody ScFv41F17 分子名称: Capsid protein VP1, Heavy chain, light chain 著者 Srinivas, H. 登録日 2018-05-02 公開日 2019-03-06 最終更新日 2019-12-11 実験手法 ELECTRON MICROSCOPY (4.24 Å) 主引用文献 Human Memory B Cells Harbor Diverse Cross-Neutralizing Antibodies against BK and JC Polyomaviruses. Immunity, 50, 2019
1RBB	THE CRYSTAL STRUCTURE OF RIBONUCLEASE B AT 2.5-ANGSTROMS RESOLUTION 分子名称: RIBONUCLEASE B 著者 Williams, R.L, Greene, S.M, McPherson, A. 登録日 1987-09-14 公開日 1988-07-16 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The crystal structure of ribonuclease B at 2.5-A resolution. J.Biol.Chem., 262, 1987
1I1E	CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN B COMPLEXED WITH DOXORUBICIN 分子名称: BOTULINUM NEUROTOXIN TYPE B, DOXORUBICIN, SULFATE ION, ... 著者 Eswaramoorthy, S, Kumaran, D, Swaminathan, S. 登録日 2001-02-01 公開日 2001-11-21 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystallographic evidence for doxorubicin binding to the receptor-binding site in Clostridium botulinum neurotoxin B. Acta Crystallogr.,Sect.D, 57, 2001
4X8G	Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK199 分子名称: CALCIUM ION, Protein-arginine deiminase type-4, [(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone 著者 Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J. 登録日 2014-12-10 公開日 2015-01-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.29 Å) 主引用文献 Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. Nat.Chem.Biol., 11, 2015
5FZ9	Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment thieno(3,2-b)thiophene-5-carboxylic acid (N06263b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... 著者 Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. 登録日 2016-03-12 公開日 2016-03-30 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment Thieno(3,2-B)Thiophene -5-Carboxylic Acid (N06263B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published
1UYX	Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with cellobiose 分子名称: CALCIUM ION, CELLULASE B, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose 著者 Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. 登録日 2004-03-03 公開日 2004-03-11 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
1LEC	STRUCTURES OF THE LECTIN IV OF GRIFFONIA SIMPLICIFOLIA AND ITS COMPLEX WITH THE LEWIS B HUMAN BLOOD GROUP DETERMINANT AT 2.0 ANGSTROMS RESOLUTION 分子名称: CALCIUM ION, MANGANESE (II) ION, SULFATE ION, ... 著者 Delbaere, L, Vandonselaar, M, Quail, J. 登録日 1992-12-17 公開日 1994-01-31 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of the lectin IV of Griffonia simplicifolia and its complex with the Lewis b human blood group determinant at 2.0 A resolution. J.Mol.Biol., 230, 1993
4MJI	T cell response to a HIV reverse transcriptase epitope presented by the protective allele HLA-B*51:01 分子名称: Beta-2-microglobulin, HIV Reverse Transcriptase peptide Marker, HLA class I histocompatibility antigen, ... 著者 Rizkallah, P.J, Cole, D.K, Sewell, A.K, Motozono, C, Takiguchi, M. 登録日 2013-09-03 公開日 2014-05-28 実験手法 X-RAY DIFFRACTION (2.99 Å) 主引用文献 Molecular basis of a dominant T cell response to an HIV reverse transcriptase 8-mer epitope presented by the protective allele HLA-B*51:01 J.Immunol., 192, 2014
4N6V	Partial rotational order disorder structure of human stefin B 分子名称: Cystatin-B, SULFATE ION 著者 Renko, M, Taler-Vercic, A, Mihelic, M, Zerovnik, E, Turk, D. 登録日 2013-10-14 公開日 2014-04-09 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Partial rotational lattice order-disorder in stefin B crystals. Acta Crystallogr.,Sect.D, 70, 2014

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