PDB: 46205 件ウェブページステータス検索Chemie searchBIRD

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4HDC	Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK: Compound 41) 分子名称: 2-(3-chlorophenoxy)-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid, Thymidylate kinase 著者 Olivier, N.B. 登録日 2012-10-02 公開日 2012-10-24 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK). J.Med.Chem., 55, 2012
6TTP	Crystal structure of the human METTL3-METTL14 complex bound to Compound 1/Adenosine (DHU_M3M_023) 分子名称: ACETATE ION, ADENOSINE, N6-adenosine-methyltransferase catalytic subunit, ... 著者 Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. 登録日 2019-12-30 公開日 2020-03-04 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer. Chemmedchem, 15, 2020
4HEO	Hendra virus Phosphoprotein C terminal domain 分子名称: CHLORIDE ION, MAGNESIUM ION, Phosphoprotein 著者 Yabukarski, F, Tarbouriech, N, Jamin, M. 登録日 2012-10-04 公開日 2013-10-09 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Atomic Resolution Description of the Interaction between the Nucleoprotein and Phosphoprotein of Hendra Virus. Plos Pathog., 9, 2013
3MIX	Crystal structure of the cytosolic domain of B. subtilis FlhA 分子名称: Flagellar biosynthesis protein flhA 著者 Bange, G, Kuemmerer, N, Bozkurt, G, Wild, K, Sinning, I. 登録日 2010-04-12 公開日 2010-06-23 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 FlhA provides the adaptor for coordinated delivery of late flagella building blocks to the type III secretion system. Proc.Natl.Acad.Sci.USA, 107, 2010
1K5G	Crystal structure of Ran-GDP-AlFx-RanBP1-RanGAP complex 分子名称: ALUMINUM FLUORIDE, GTP-binding nuclear protein RAN, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R. 登録日 2001-10-10 公開日 2002-02-13 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 RanGAP mediates GTP hydrolysis without an arginine finger. Nature, 415, 2002
6TQV	Crystal structure of ribonucleotide reductase NrdF from Bacillus anthracis aerobically soaked with Fe(II) and Mn(II) ions 分子名称: MANGANESE (II) ION, Ribonucleoside-diphosphate reductase subunit beta, SULFATE ION 著者 Grave, K, Hogbom, M. 登録日 2019-12-17 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.35000968 Å) 主引用文献 The Bacillus anthracis class Ib ribonucleotide reductase subunit NrdF intrinsically selects manganese over iron. J.Biol.Inorg.Chem., 25, 2020
4XSL	Crystal strcutre of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with glycerol 分子名称: D-tagatose 3-epimerase, GLYCEROL, MANGANESE (II) ION 著者 Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S. 登録日 2015-01-22 公開日 2016-01-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates Appl. Microbiol. Biotechnol., 100, 2016
4HGF	Crystal structure of P450 BM3 5F5K heme domain variant complexed with styrene 分子名称: Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. 登録日 2012-10-08 公開日 2013-05-01 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation. Chem.Commun.(Camb.), 49, 2013
4H1G	Structure of Candida albicans Kar3 motor domain fused to maltose-binding protein 分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Allingham, J.A, Duan, D, Delorme, C, Joshi, M. 登録日 2012-09-10 公開日 2012-10-10 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal structure of the Candida albicans Kar3 kinesin motor domain fused to maltose-binding protein. Biochem.Biophys.Res.Commun., 428, 2012
6TTX	Crystal structure of the human METTL3-METTL14 complex bound to Compound 5 (ASI_M3M_051) 分子名称: (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... 著者 Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. 登録日 2019-12-30 公開日 2020-03-04 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer. Chemmedchem, 15, 2020
1K5A	Crystal structure of human angiogenin double variant I119A/F120A 分子名称: Angiogenin 著者 Leonidas, D.D, Shapiro, R, Subbarao, G.V, Russo, A, Acharya, K.R. 登録日 2001-10-10 公開日 2002-03-20 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Crystallographic studies on the role of the C-terminal segment of human angiogenin in defining enzymatic potency. Biochemistry, 41, 2002
6TQX	Crystal structure of apo (metal-free) ribonucleotide reductase NrdF L61G variant from Bacillus anthracis 分子名称: Ribonucleoside-diphosphate reductase subunit beta, SULFATE ION 著者 Grave, K, Hogbom, M. 登録日 2019-12-17 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.0500176 Å) 主引用文献 The Bacillus anthracis class Ib ribonucleotide reductase subunit NrdF intrinsically selects manganese over iron. J.Biol.Inorg.Chem., 25, 2020
4H34	Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation 分子名称: 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11 著者 Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y. 登録日 2012-09-13 公開日 2013-10-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation To be Published
4GTE	T. Maritima FDTS (E144R mutant) with FAD and Folate 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid, Thymidylate synthase thyX 著者 Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A. 登録日 2012-08-28 公開日 2012-10-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Folate binding site of flavin-dependent thymidylate synthase. Proc.Natl.Acad.Sci.USA, 109, 2012
6TU1	Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ASI_M3M_091) 分子名称: (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... 著者 Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. 登録日 2019-12-31 公開日 2020-03-04 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer. Chemmedchem, 15, 2020
4GV0	Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0355 分子名称: 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-2-yl)ethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 著者 Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. 登録日 2012-08-30 公開日 2013-06-19 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3 Acs Chem.Biol., 8, 2013
3MGB	Teg 12 Ternary Structure Complexed with PAP and the Teicoplanin Aglycone 分子名称: 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, ACETATE ION, CHLORIDE ION, ... 著者 Bick, M.J, Banik, J.J, Darst, S.A, Brady, S.F. 登録日 2010-04-05 公開日 2010-06-09 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Crystal Structures of the Glycopeptide Sulfotransferase Teg12 in a Complex with the Teicoplanin Aglycone. Biochemistry, 49, 2010
1K9T	Chitinase a complexed with tetra-N-acetylchitotriose 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A 著者 Prag, G, Tucker, P.A, Oppenheim, A.B. 登録日 2001-10-30 公開日 2002-11-06 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Complex Structures of Chitinase A Mutant with Oligonag Provide Insight Into the Enzymatic Mechanism To be Published
3MQP	Crystal Structure of human BFL-1 in complex with NOXA BH3 peptide, Northeast Structural Genomics Consortium Target HR2930 分子名称: Bcl-2-related protein A1, Phorbol-12-myristate-13-acetate-induced protein 1 著者 Guan, R, Xiao, R, Zhao, L, Acton, T.B, Gelinas, C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) 登録日 2010-04-28 公開日 2010-06-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Crystal Structure of human BFL-1 in complex with NOXA BH3 peptide To be Published
4GVM	HIV-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor 分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid, ARSENIC, Gag-Pol polyprotein 著者 Feng, L, Kvaratskhelia, M. 登録日 2012-08-30 公開日 2013-05-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors. J.Biol.Chem., 288, 2013
6TA7	CRYSTAL STRUCTURE OF HUMAN G3BP1-NTF2 IN COMPLEX WITH HUMAN CAPRIN1-DERIVED SOLOMON MOTIF 分子名称: CHLORIDE ION, Caprin-1, Ras GTPase-activating protein-binding protein 1, ... 著者 Schulte, T, Achour, A, Panas, M.D, McInerney, G.M. 登録日 2019-10-29 公開日 2021-05-12 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Caprin-1 binding to the critical stress granule protein G3BP1 is regulated by pH Biorxiv, 2021
4GYH	Structure of human thymidylate synthase at high salt conditions 分子名称: SULFATE ION, Thymidylate synthase 著者 Brunn, N, Dibrov, S, Hermann, T. 登録日 2012-09-05 公開日 2012-10-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.005 Å) 主引用文献 Analysis of mRNA recognition by human thymidylate synthase. Biosci.Rep., 34, 2014
4HAY	Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(K548E,K579Q)-Ran-RanBP1 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ... 著者 Sun, Q, Chook, Y.M. 登録日 2012-09-27 公開日 2013-01-09 最終更新日 2017-07-26 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1. Proc.Natl.Acad.Sci.USA, 110, 2013
4H2E	Crystal structure of an MMP twin inhibitor complexing two MMP-9 catalytic domains 分子名称: ACETATE ION, BICINE, CALCIUM ION, ... 著者 Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A. 登録日 2012-09-12 公開日 2013-04-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.902 Å) 主引用文献 Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
4H2X	Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens and an analogue of glycyl adenylate 分子名称: 4'-PHOSPHOPANTETHEINE, 5'-O-(glycylsulfamoyl)adenosine, Amino acid--[acyl-carrier-protein] ligase 1, ... 著者 Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M. 登録日 2012-09-13 公開日 2013-03-06 最終更新日 2017-08-23 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation. Structure, 21, 2013

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