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

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1IXP	Enzyme-phosphate Complex of Pyridoxine 5'-Phosphate synthase 分子名称: PHOSPHATE ION, Pyridoxine 5'-Phosphate synthase 著者 Garrido-Franco, M, Laber, B, Huber, R, Clausen, T. 登録日 2002-06-28 公開日 2003-02-11 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis J.MOL.BIOL., 321, 2002
4S2C	Covalent complex of E. coli transaldolase TalB with fructose-6-phosphate 分子名称: 1,2-ETHANEDIOL, FRUCTOSE -6-PHOSPHATE, Transaldolase B 著者 Stellmacher, L, Sandalova, T, Schneider, G, Sprenger, G.A, Samland, A.K. 登録日 2015-01-20 公開日 2016-01-20 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Novel mode of inhibition by D-tagatose 6-phosphate through a Heyns rearrangement in the active site of transaldolase B variants. Acta Crystallogr D Struct Biol, 72, 2016
2KLR	Solid-state NMR structure of the alpha-crystallin domain in alphaB-crystallin oligomers 分子名称: Alpha-crystallin B chain 著者 Jehle, S, Rajagopal, P, Markovic, S, Bardiaux, B, Kuehne, R, Higman, V.A, Klevit, R.E, van Rossum, B, Oschkinat, H. 登録日 2009-07-08 公開日 2010-07-07 最終更新日 2024-05-01 実験手法 SOLID-STATE NMR 主引用文献 Solid-state NMR and SAXS studies provide a structural basis for the activation of alphaB-crystallin oligomers. Nat.Struct.Mol.Biol., 17, 2010
5SPN	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00010608284 分子名称: 1-cyclopentyl-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-5-sulfonamide, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SPQ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00014134848 - (R) isomer 分子名称: (3R)-1-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
6D2Y	Crystal structure of surface glycan-binding protein PbSGBP-B from Prevotella bryantii 分子名称: GLYCEROL, MAGNESIUM ION, PbSGBP-B lipoprotein 著者 Stogios, P.J, Skarina, T, Wawrzak, Z, McGregor, N, Di Leo, R, Brumer, H, Savchenko, A. 登録日 2018-04-14 公開日 2019-10-16 最終更新日 2020-01-08 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Crystal structure of surface glycan-binding protein PbSGBP-B from Prevotella bryantii To Be Published
4RXW	Crystal Structure of the cobalt human insulin derivative 分子名称: COBALT (II) ION, Insulin A chain, Insulin B chain 著者 Prugovecki, B, Ivetic, N, Matkovic-Calogovic, D. 登録日 2014-12-12 公開日 2015-01-21 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Crystal Structure of the cobalt human insulin derivative TO BE PUBLISHED
1NDR	CRYSTALLOGRAPHIC STRUCTURE OF A BLUE COPPER NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS 分子名称: COPPER (II) ION, NITRITE REDUCTASE 著者 Dodd, F.E, Hasnain, S.S, Abraham, Z.H.L, Eady, R.R, Smith, B.E. 登録日 1997-01-23 公開日 1997-07-07 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structures of a blue-copper nitrite reductase and its substrate-bound complex. Acta Crystallogr.,Sect.D, 53, 1997
1NDS	CRYSTALLOGRAPHIC STRUCTURE OF A SUBSTRATE BOUND BLUE COPPER NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS 分子名称: COPPER (II) ION, NITRITE ION, NITRITE REDUCTASE 著者 Dodd, F.E, Hasnain, S.S, Abraham, Z.H.L, Eady, R.R, Smith, B.E. 登録日 1997-01-23 公開日 1997-07-07 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structures of a blue-copper nitrite reductase and its substrate-bound complex. Acta Crystallogr.,Sect.D, 53, 1997
5HNI	CRYSTAL STRUCTURE OF CMET WT with compound 3 分子名称: Hepatocyte growth factor receptor, methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1H-benzimidazol-2-yl)carbamate 著者 Vallee, F, Houtmann, J. 登録日 2016-01-18 公開日 2016-11-23 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844). J.Med.Chem., 59, 2016
5HO6	CRYSTAL STRUCTURE OF CMET IN COMPLEX WITH CMPD. 分子名称: 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor 著者 Vallee, F, Houtmann, J. 登録日 2016-01-19 公開日 2016-11-23 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844). J.Med.Chem., 59, 2016
5C48	Crystal structure of GTB + UDP-C-Gal + DI 分子名称: (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... 著者 Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V. 登録日 2015-06-17 公開日 2015-09-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner. J.Biol.Chem., 290, 2015
1TNX	NMR SOLUTION STRUCTURE OF CALCIUM SATURATED SKELETAL MUSCLE TROPONIN C 分子名称: TROPONIN C 著者 Slupsky, C.M, Sykes, B.D. 登録日 1995-08-23 公開日 1995-10-15 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 NMR solution structure of calcium-saturated skeletal muscle troponin C. Biochemistry, 34, 1995
4M5S	Human alphaB crystallin core domain in complex with C-terminal peptide 分子名称: Alpha-crystallin B chain, SUCCINIC ACID 著者 Laganowsky, A, Cascio, D, Sawaya, M.R, Eisenberg, D. 登録日 2013-08-08 公開日 2014-04-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 The structured core domain of alpha B-crystallin can prevent amyloid fibrillation and associated toxicity. Proc.Natl.Acad.Sci.USA, 111, 2014
208D	HIGH-RESOLUTION STRUCTURE OF A DNA HELIX FORMING (C.G)*G BASE TRIPLETS 分子名称: DNA (5'-D(*GP*CP*GP*AP*AP*TP*TP*CP*G)-3'), MAGNESIUM ION 著者 Van Meervelt, L, Vlieghe, D, Dautant, A, Gallois, B, Precigoux, G, Kennard, O. 登録日 1995-04-26 公開日 1995-09-15 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 High-resolution structure of a DNA helix forming (C.G)*G base triplets. Nature, 374, 1995
7M2F	CDK2 with compound 14 inhibitor with carboxylate 分子名称: Cyclin-dependent kinase 2, [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid 著者 Longenecker, K.L, Qiu, W, Korepanova, A, Tong, Y. 登録日 2021-03-16 公開日 2021-07-07 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.632 Å) 主引用文献 Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors. Acs Med.Chem.Lett., 12, 2021
252D	CRYSTAL STRUCTURE OF THE B-DNA DECAMER D(CGCAATTGCG)2; SEQUENCE-DEPENDENT CROSSED HELIX PACKING 分子名称: DNA (5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3') 著者 Wood, A.A, Nunn, C.M, Trent, J.O, Neidle, S. 登録日 1996-03-07 公開日 1996-04-09 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Sequence-dependent crossed helix packing in the crystal structure of a B-DNA decamer yields a detailed model for the Holliday junction. J.Mol.Biol., 269, 1997
4AIL	Crystal Structure of an Evolved Replicating DNA Polymerase 分子名称: 5'-D(*AP*CP*GP*GP*GP*TP*AP*AP*GP*CP*AP)-3', 5'-D(*TP*GP*CP*TP*TP*AP*CP*DOCP)-3', DNA POLYMERASE 著者 Wynne, S.A, Holliger, P, Leslie, A.G.W. 登録日 2012-02-10 公開日 2012-03-07 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structures of an Apo and a Binary Complex of an Evolved Archeal B Family DNA Polymerase Capable of Synthesising Highly Cy-Dye Labelled DNA. Plos One, 8, 2013
4AJZ	Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin 分子名称: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... 著者 Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I. 登録日 2012-02-21 公開日 2013-01-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec. Biochemistry, 52, 2013
1TNW	NMR SOLUTION STRUCTURE OF CALCIUM SATURATED SKELETAL MUSCLE TROPONIN C 分子名称: TROPONIN C 著者 Slupsky, C.M, Sykes, B.D. 登録日 1995-08-23 公開日 1995-10-15 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 NMR solution structure of calcium-saturated skeletal muscle troponin C. Biochemistry, 34, 1995
3PJ3	Crystal structure of BTK kinase domain complexed with 2-Methyl-5-[(E)-(3-phenyl-acryloyl)amino]-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-benzamide 分子名称: 2-methyl-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-5-{[(2E)-3-phenylprop-2-enoyl]amino}benzamide, Tyrosine-protein kinase BTK 著者 Kuglstatter, A, Wong, A. 登録日 2010-11-08 公開日 2011-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011
3U2K	S. aureus GyrB ATPase domain in complex with a small molecule inhibitor 分子名称: 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide, DNA gyrase subunit B, MAGNESIUM ION 著者 Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A. 登録日 2011-10-03 公開日 2012-01-11 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents. Antimicrob.Agents Chemother., 56, 2012
4NCM	Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor 分子名称: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2 著者 Jacobs, M.D. 登録日 2013-10-24 公開日 2014-07-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.82 Å) 主引用文献 Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2. J.Med.Chem., 57, 2014
5DKQ	Crystal Structure of Calcium-loaded S100B bound to SBi4214 分子名称: 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine, CALCIUM ION, Protein S100-B 著者 Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. 登録日 2015-09-03 公開日 2016-01-20 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.591 Å) 主引用文献 Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations. J.Med.Chem., 59, 2016
4NO1	yCP in complex with Z-Leu-Leu-Leu-B(OH)2 分子名称: MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... 著者 Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. 登録日 2013-11-19 公開日 2014-02-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif. Angew.Chem.Int.Ed.Engl., 53, 2014

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