PDB: 245663 件ウェブページステータス検索Chemie searchBIRD

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5QFX	PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA000953b 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-phenoxybenzoic acid, Tyrosine-protein phosphatase non-receptor type 1 著者 Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. 登録日 2018-08-30 公開日 2018-10-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.824 Å) 主引用文献 An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
2AIO	Metallo beta lactamase L1 from Stenotrophomonas maltophilia complexed with hydrolyzed moxalactam 分子名称: (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID, Metallo-beta-lactamase L1, SULFATE ION, ... 著者 Spencer, J, Read, J, Sessions, R.B, Howell, S, Blackburn, G.M, Gamblin, S.J. 登録日 2005-07-30 公開日 2005-10-11 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Antibiotic Recognition by Binuclear Metallo-beta-Lactamases Revealed by X-ray Crystallography J.Am.Chem.Soc., 127, 2005
5QGD	PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000611a 分子名称: (1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 著者 Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. 登録日 2018-08-30 公開日 2018-10-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.661 Å) 主引用文献 An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
2DQJ	Crystal structure of hyhel-10 FV (wild-type) complexed with hen egg lysozyme at 1.8A resolution 分子名称: Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region 著者 Shiroishi, M, Kondo, H, Tsumoto, K, Kumagai, I. 登録日 2006-05-26 公開日 2007-01-23 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural consequences of mutations in interfacial Tyr residues of a protein antigen-antibody complex. The case of HyHEL-10-HEL J.Biol.Chem., 282, 2007
1RHU	CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR 分子名称: (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID, Caspase-3 著者 Becker, J.W, Rotonda, J, Soisson, S.M. 登録日 2003-11-14 公開日 2004-05-11 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis. J.Med.Chem., 47, 2004
1C9O	CRYSTAL STRUCTURE ANALYSIS OF THE BACILLUS CALDOLYTICUS COLD SHOCK PROTEIN BC-CSP 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COLD-SHOCK PROTEIN, SODIUM ION 著者 Mueller, U, Perl, D, Schmid, F.X, Heinemann, U. 登録日 1999-08-03 公開日 2000-04-02 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 Thermal stability and atomic-resolution crystal structure of the Bacillus caldolyticus cold shock protein. J.Mol.Biol., 297, 2000
5MGC	STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 4-Galactosyl-lactose 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Probable beta-galactosidase A, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. 登録日 2016-11-21 公開日 2017-04-19 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J., 284, 2017
6KEO	Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in 17beta-estradiol-bound form 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ESTRADIOL, Glutathione S-transferase E14 著者 Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T. 登録日 2019-07-04 公開日 2019-10-02 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo. J.Biol.Chem., 295, 2020
3QK3	Crystal structure of human beta-crystallin B3 分子名称: 1,2-ETHANEDIOL, Beta-crystallin B3, SULFATE ION 著者 Krojer, T, Gileadi, C, Cocking, R, Muniz, J, Pilka, E, Yue, W.W, Vollmar, M, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K, Oppermann, U, Structural Genomics Consortium (SGC) 登録日 2011-01-31 公開日 2011-02-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献
1LE6	CARBOXYLIC ESTER HYDROLASE, P 1 21 1 SPACE GROUP 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Group X Secretory Phospholipase A2 著者 Pan, Y.H, Jain, M.K, Bahnson, B.J. 登録日 2002-04-09 公開日 2002-08-14 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Crystal structure of human group X secreted phospholipase A2. Electrostatically neutral interfacial surface targets zwitterionic membranes. J.Biol.Chem., 277, 2002
1AP1	THE SOLUTION NMR STRUCTURE OF AN S-STYRENE OXIDE ADDUCT AT THE N2 POSITION OF GUANINE OF AN 11 BASE-PAIR OLIGONUCLEOTIDE SEQUENCE CODING FOR AMINO ACIDS 11-13 OF THE PRODUCT OF THE N-RAS PROTOONCOGENE, MINIMIZED AVERAGE STRUCTURE 分子名称: DNA (5'-D(*CP*AP*CP*CP*AP*CP*CP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*GSSP*GP*TP*GP*GP*TP*G)-3') 著者 Setayesh, F.R, Stone, M.P. 登録日 1997-07-22 公開日 1998-07-22 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Styrene oxide adducts in an oligodeoxynucleotide containing the human N-ras codon 12: minor groove structures of the R(12,1)- and S(12,1)-alpha-(N2-guanyl) stereoisomers determined by 1H nuclear magnetic resonance. Chem.Res.Toxicol., 11, 1998
5QAV	OXA-48 IN COMPLEX WITH COMPOUND 26b 分子名称: 1,2-ETHANEDIOL, 3-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid, Beta-lactamase, ... 著者 Lund, B.A, Leiros, H.K.S. 登録日 2017-07-11 公開日 2018-01-10 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
3I7Z	Protein Tyrosine Phosphatase 1B - Transition state analog for the first catalytic step 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, EGFR receptor fragment, GLYCEROL, ... 著者 Brandao, T.A.S, Johnson, S.J, Hengge, A.C. 登録日 2009-07-09 公開日 2010-03-16 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Insights into the reaction of protein-tyrosine phosphatase 1B: crystal structures for transition state analogs of both catalytic steps. J.Biol.Chem., 285, 2010
3ACY	Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-702 分子名称: (1R)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid, Dehydrosqualene synthase, MAGNESIUM ION 著者 Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. 登録日 2010-01-13 公開日 2010-11-24 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Mechanism of action and inhibition of dehydrosqualene synthase Proc.Natl.Acad.Sci.USA, 107, 2010
6KO5	Complex structure of Ghrelin receptor with Fab 分子名称: 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one, Chimera of Soluble cytochrome b562 and Growth hormone secretagogue receptor type 1, Fab7881 Heavy Chain, ... 著者 Shiimura, Y, Horita, S, Asada, H, Hirata, K, Iwata, S, Kojima, M. 登録日 2019-08-08 公開日 2020-08-12 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structure of an antagonist-bound ghrelin receptor reveals possible ghrelin recognition mode. Nat Commun, 11, 2020
5QDL	PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000072a 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, methyl 2-(4-aminophenoxy)benzoate 著者 Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. 登録日 2018-08-30 公開日 2018-10-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.833 Å) 主引用文献 An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
5CZ6	Yeast 20S proteasome beta5-T1A mutant in complex with Syringolin A, propeptide expressed in trans 分子名称: (2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid, CHLORIDE ION, MAGNESIUM ION, ... 著者 Huber, E.M, Groll, M. 登録日 2015-07-31 公開日 2016-03-23 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome. Nat Commun, 7, 2016
5ZR8	Crystal Structure Of NDM-1 Metallo-beta-lactamase 分子名称: Beta-lactamase, SULFATE ION, ZINC ION 著者 Wachino, J. 登録日 2018-04-23 公開日 2019-04-24 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal Structure Of NDM-1 Metallo-beta-lactamase To Be Published
5QFE	PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000509a 分子名称: (2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 著者 Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. 登録日 2018-08-30 公開日 2018-10-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.563 Å) 主引用文献 An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
1LAM	LEUCINE AMINOPEPTIDASE (UNLIGATED) 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, CARBONATE ION, LEUCINE AMINOPEPTIDASE, ... 著者 Straeter, N, Lipscomb, W.N. 登録日 1995-08-11 公開日 1995-10-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Two-metal ion mechanism of bovine lens leucine aminopeptidase: active site solvent structure and binding mode of L-leucinal, a gem-diolate transition state analogue, by X-ray crystallography. Biochemistry, 34, 1995
1KZI	Crystal Structure of EcTS/dUMP/THF Complex 分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (6S)-5,6,7,8-TETRAHYDROFOLATE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... 著者 Fritz, T.A, Liu, L, Finer-Moore, J.S, Stroud, R.M. 登録日 2002-02-06 公開日 2002-07-03 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Tryptophan 80 and leucine 143 are critical for the hydride transfer step of thymidylate synthase by controlling active site access. Biochemistry, 41, 2002
5QG8	PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000555a 分子名称: (2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 著者 Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. 登録日 2018-08-30 公開日 2018-10-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.634 Å) 主引用文献 An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
1KYN	Cathepsin-G 分子名称: (2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID, cathepsin G 著者 Greco, M.N, Hawkins, M.J, Powell, E.T, Almond Jr, H.R, Corcoran, T.W, De Garavilla, L, Kauffman, J.A, Recacha, R, Chattopadhyay, D, Andrade-Gordon, P, Maryanoff, B.E. 登録日 2002-02-05 公開日 2002-05-01 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Nonpeptide inhibitors of cathepsin G: optimization of a novel beta-ketophosphonic acid lead by structure-based drug design. J.Am.Chem.Soc., 124, 2002
6KJZ	Crystal structure of PDE4D catalytic domain complexed with compound 1 分子名称: 8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5,9-bis(oxidanyl)pyrano[3,2-b]xanthen-6-one, MAGNESIUM ION, ZINC ION, ... 著者 Huang, Y.-Y, He, X, Luo, H.-B. 登録日 2019-07-23 公開日 2020-03-18 最終更新日 2025-01-22 実験手法 X-RAY DIFFRACTION (2.200001 Å) 主引用文献 Discovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia. J.Med.Chem., 63, 2020
2P0A	The crystal structure of human synapsin III (SYN3) in complex with AMPPNP 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Turnbull, A.P, Phillips, C, Pike, A.C.W, Elkins, J.M, Gileadi, C, Salah, E, Niesen, F.H, Burgess, N, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) 登録日 2007-02-28 公開日 2007-03-27 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The crystal structure of human synapsin III (SYN3) in complex with AMPPNP To be Published

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