PDB: 222415 件ウェブページステータス検索Chemie searchBIRD

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4FRC	Carbonic Anhydrase II in complex with N'-sulfamoylpyrrolidine-1-carboximidamide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ... 著者 Di Pizio, A, Heine, A, Klebe, G. 登録日 2012-06-26 公開日 2013-07-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
7G1L	Crystal Structure of human FABP4 in complex with 6-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-1,2,4-triazin-5-ol 分子名称: 6-[(2H-1,3-benzodioxol-5-yl)methyl]-3-sulfanyl-1,2,4-triazin-5-ol, FORMIC ACID, Fatty acid-binding protein, ... 著者 Ehler, A, Benz, J, Obst, U, Rudolph, M.G. 登録日 2023-04-27 公開日 2023-06-14 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Crystal Structure of a human FABP4 complex To be published
6Z7I	Crystal structure of CTX-M-15 E166Q mutant apoenzyme 分子名称: Beta-lactamase, GLYCEROL, SULFATE ION 著者 Tooke, C.L, Hinchliffe, P, Spencer, J. 登録日 2020-05-31 公開日 2021-06-09 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition. Mbio, 2022
6K9J	0.98 A three-dimensional structure of horse heart cytochrome C at 110K 分子名称: Cytochrome c, HEME C 著者 Sugawara, Y, Endo, S. 登録日 2019-06-16 公開日 2020-06-17 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 0.98 A three-dimensional structure of horse heart cytochrome C at 110K To Be Published
5RD8	PanDDA analysis group deposition -- Endothiapepsin ground state model 30 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... 著者 Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. 登録日 2020-03-24 公開日 2020-06-03 最終更新日 2020-06-17 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
4FPT	Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Di Pizio, A, Heine, A, Klebe, G. 登録日 2012-06-22 公開日 2013-07-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
4FU5	Carbonic Anhydrase II in complex with N-[(2Z)-1,3-oxazolidin-2-ylidene]sulfuric diamide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ... 著者 Di Pizio, A, Heine, A, Klebe, G. 登録日 2012-06-28 公開日 2013-07-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 HIgh resolution crystal structures of Carbonic Anhzdrase II in complex with nonvel sulfamide binders To be Published
3I5E	Allosteric Modulation of DNA by Small Molecules 分子名称: 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G)-3', CALCIUM ION 著者 Chenoweth, D.M, Dervan, P.B. 登録日 2009-07-05 公開日 2009-07-28 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Allosteric modulation of DNA by small molecules Proc.Natl.Acad.Sci.USA, 106, 2009
5HMV	Re refinement of 4mwk. 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... 著者 Helliwell, J.R. 登録日 2016-01-17 公開日 2016-05-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)]. Struct Dyn, 3, 2016
5RDX	PanDDA analysis group deposition -- Endothiapepsin ground state model 54 分子名称: Endothiapepsin 著者 Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. 登録日 2020-03-24 公開日 2020-06-03 最終更新日 2020-06-17 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
3V1A	Crystal structure of de novo designed MID1-apo1 分子名称: Computational design, MID1-apo1 著者 Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. 登録日 2011-12-09 公開日 2012-01-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer. J.Am.Chem.Soc., 134, 2012
5RVH	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000265642 分子名称: Non-structural protein 3, quinoline-3-carboxylic acid 著者 Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. 登録日 2020-09-28 公開日 2020-12-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
6LIP	Crystal structure of NDM-1 in complex with D-captopril derivative wss0218 分子名称: (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION 著者 Zhang, H, Ma, G. 登録日 2019-12-12 公開日 2020-12-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
4KXU	Human transketolase in covalent complex with donor ketose D-fructose-6-phosphate 分子名称: 1,2-ETHANEDIOL, D-SORBITOL-6-PHOSPHATE, MAGNESIUM ION, ... 著者 Neumann, P, Luedtke, S, Ficner, R, Tittmann, K. 登録日 2013-05-28 公開日 2013-08-21 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. Nat Chem, 5, 2013
5KXV	Structure Proteinase K at 0.98 Angstroms 分子名称: CALCIUM ION, GLYCEROL, NITRATE ION, ... 著者 Masuda, T, Suzuki, M, Inoue, S, Numata, K, Sugahara, M. 登録日 2016-07-20 公開日 2017-06-07 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Atomic resolution structure of serine protease proteinase K at ambient temperature. Sci Rep, 7, 2017
5XR0	Crystal structure of Notched-fin eelpout type III antifreeze protein A20T mutant (NFE6, AFP), P21 form 分子名称: Ice-structuring protein 著者 Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S. 登録日 2017-06-07 公開日 2018-05-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7YZ7	Crystal structure of the zebrafish FoxH1 bound to the TGTGGATT site 分子名称: DNA (5'-D(*AP*GP*AP*TP*TP*GP*TP*GP*GP*AP*TP*TP*GP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*CP*AP*AP*TP*CP*CP*AP*CP*AP*AP*TP*CP*T)-3'), Forkhead box protein H1, ... 著者 Pluta, R, Macias, M.J. 登録日 2022-02-18 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1. Nat Commun, 13, 2022
6TX6	CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH NICOTINAMIDE 分子名称: CHLORIDE ION, NICOTINAMIDE, Peptidyl-prolyl cis-trans isomerase FKBP5, ... 著者 Fiegen, D, Draxler, S.W. 登録日 2020-01-13 公開日 2020-05-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. J.Med.Chem., 63, 2020
2G58	Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution 分子名称: (PHQ)IARS, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION 著者 Prem Kumar, R, Singh, N, Somvanshi, R.K, Ethayathulla, A.S, Dey, S, Sharma, S, Kaur, P, Perbandt, M, Betzel, C, Singh, T.P. 登録日 2006-02-22 公開日 2006-03-28 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution To be Published
2ZPM	Crystal structure analysis of PDZ domain B 分子名称: Regulator of sigma E protease 著者 Inaba, K, Suzuki, M. 登録日 2008-07-17 公開日 2008-10-21 最終更新日 2017-10-11 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Crystal Structure analysis of PDZ-domain B To be Published
1IXH	PHOSPHATE-BINDING PROTEIN (PBP) COMPLEXED WITH PHOSPHATE 分子名称: PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN 著者 Wang, Z, Luecke, H, Quiocho, F.A. 登録日 1996-08-01 公開日 1998-02-04 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 A low energy short hydrogen bond in very high resolution structures of protein receptor--phosphate complexes. Nat.Struct.Biol., 4, 1997
2BZZ	Crystal Structures of Eosinophil-derived Neurotoxin in Complex with the Inhibitors 5'-ATP, Ap3A, Ap4A and Ap5A 分子名称: ACETIC ACID, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, NONSECRETORY RIBONUCLEASE 著者 Baker, M.D, Holloway, D.E, Swaminathan, G.J, Acharya, K.R. 登録日 2005-08-24 公開日 2006-01-18 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Crystal Structures of Eosinophil-Derived Neurotoxin (Edn) in Complex with the Inhibitors 5'- ATP, Ap(3)A, Ap(4)A, and Ap(5)A. Biochemistry, 45, 2006
4QBX	Human Aldose Reductase complexed with a ligand with an IDD structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) at 0.98 A 分子名称: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Rechlin, C, Heine, A, Klebe, G. 登録日 2014-05-09 公開日 2015-07-22 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation To be Published
4WPK	Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, Form I 分子名称: CITRIC ACID, SODIUM ION, Uracil-DNA glycosylase 著者 Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. 登録日 2014-10-20 公開日 2015-07-15 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
7OYN	Carbonic anhydrase II in complex with Hit3 (MH57) 分子名称: Carbonic anhydrase 2, Hit3 (MH57), ZINC ION 著者 Kugler, M, Brynda, J, Rezacova, P. 登録日 2021-06-24 公開日 2023-01-18 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study. Rsc Med Chem, 14, 2023

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