PDB: 30867 件ウェブページステータス検索Chemie searchBIRD

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7RIE	Plasmodium falciparum M17 in complex with inhibitor MIPS2571 分子名称: CARBONATE ION, M17 leucyl aminopeptidase, N-{(1R)-2-(hydroxyamino)-1-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide, ... 著者 Webb, C.T, McGowan, S. 登録日 2021-07-19 公開日 2022-09-14 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Genetic and chemical validation of Plasmodium falciparum aminopeptidase Pf A-M17 as a drug target in the hemoglobin digestion pathway. Elife, 11, 2022
6I5S	AH, Bottromycin amidohydrolase 分子名称: CHLORIDE ION, GLYCEROL, ZINC ION, ... 著者 Koehnke, J, Sikandar, A. 登録日 2018-11-14 公開日 2019-09-25 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Thiazoline-Specific Amidohydrolase PurAH Is the Gatekeeper of Bottromycin Biosynthesis. J.Am.Chem.Soc., 141, 2019
6GDV	Structure of CutA from Synechococcus elongatus PCC7942 complexed with Bis-Tris molecule 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Periplasmic divalent cation tolerance protein 著者 Tremino, L, Rubio, V. 登録日 2018-04-24 公開日 2019-05-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role. Febs J., 2020
7ACQ	CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747 分子名称: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Kessler, D. 登録日 2020-09-11 公開日 2020-11-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI00925747 To Be Published
6R85	Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-glutamate 分子名称: 1,2-ETHANEDIOL, GLUTAMIC ACID, Glutamate receptor 3.3,Glutamate receptor 3.3, ... 著者 Alfieri, A, Pederzoli, R, Costa, A. 登録日 2019-03-31 公開日 2020-01-01 最終更新日 2020-01-15 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel. Proc.Natl.Acad.Sci.USA, 117, 2020
6I5Z	Papaver somniferum O-methyltransferase 分子名称: O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE 著者 Davies, G.J, Cabry, M.P, Offen, W.A. 登録日 2018-11-15 公開日 2019-03-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation Acs Catalysis, 2019
6D4T	M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054) 分子名称: (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase 著者 Ascher, D.B, Pacitto, A, Blundell, T.L. 登録日 2018-04-18 公開日 2019-05-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
7MLR	X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1- yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (DW34) 分子名称: 1,2-ETHANEDIOL, 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ... 著者 Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. 登録日 2021-04-28 公開日 2021-07-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity. J.Med.Chem., 64, 2021
5TOK	Crystal structure of the RSV F glycoprotein in complex with the neutralizing single-domain antibody F-VHH-L66 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, Fibritin chimera, ... 著者 Gilman, M.S.A, Kabeche, S.C, McLellan, J.S. 登録日 2016-10-17 公開日 2017-02-22 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.8 Å) 主引用文献 Potent single-domain antibodies that arrest respiratory syncytial virus fusion protein in its prefusion state. Nat Commun, 8, 2017
6ZOR	Oestrogen receptor ligand binding domain in complex with compound 28 分子名称: 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine, Estrogen receptor 著者 Breed, J. 登録日 2020-07-07 公開日 2021-01-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
6IDS	Crystal structure of Vibrio cholerae MATE transporter VcmN D35N mutant 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MATE family efflux transporter 著者 Kusakizako, T, Claxton, D.P, Tanaka, Y, Maturana, A.D, Kuroda, T, Ishitani, R, Mchaourab, H.S, Nureki, O. 登録日 2018-09-11 公開日 2019-01-16 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.79 Å) 主引用文献 Structural Basis of H+-Dependent Conformational Change in a Bacterial MATE Transporter. Structure, 27, 2019
5TPR	Desmethyl-4-deoxygadusol synthase from Anabaena variabilis (Ava_3858) with NAD+ and Zn2+ bound 分子名称: 3-dehydroquinate synthase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Kean, K.M, Karplus, P.A. 登録日 2016-10-21 公開日 2017-02-22 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Evolution and Distribution of C7-Cyclitol Synthases in Prokaryotes and Eukaryotes. ACS Chem. Biol., 12, 2017
5HQ0	Ternary complex of human proteins CDK1, Cyclin B and CKS2, bound to an inhibitor 分子名称: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... 著者 Noble, M.E, Martin, M.P, Korolchuk, S, Brown, N.R, Moukhametzianov, R, Stanley, W.A. 登録日 2016-01-21 公開日 2016-03-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 CDK1 structures reveal conserved and unique features of the essential cell cycle CDK. Nat Commun, 6, 2015
6R8C	HIV capsid hexamer with IP5 ligand 分子名称: Gag polyprotein, MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE 著者 James, L.C. 登録日 2019-04-01 公開日 2020-05-06 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 HIV hexamer to be published
5TPJ	Crystal structure of a de novo designed protein with curved beta-sheet 分子名称: denovo NTF2 著者 Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D. 登録日 2016-10-20 公開日 2017-01-25 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (3.101 Å) 主引用文献 Principles for designing proteins with cavities formed by curved beta sheets. Science, 355, 2017
5HQL	Structure function studies of R. palustris RubisCO (A47V-M331A mutant; CABP-bound; no expression tag) 分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase 著者 Arbing, M.A, Shin, A, Cascio, D, Satagopan, S, North, J.A, Tabita, F.R. 登録日 2016-01-21 公開日 2017-01-25 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Structure function studies of R. palustris RubisCO To Be Published
6R40	Apo structure of R504C mutant of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) 分子名称: Peptidoglycan D,D-transpeptidase FtsI 著者 Bellini, D, Dowson, C.G. 登録日 2019-03-21 公開日 2020-02-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance. J.Mol.Biol., 431, 2019
6I6U	Circular permutant of ribosomal protein S6, adding 9aa to N terminal of P81-82, L75A mutant 分子名称: 30S ribosomal protein S6,30S ribosomal protein S6 著者 Wang, H, Logan, D.T, Oliveberg, M. 登録日 2018-11-15 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
5TRQ	WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND SUCCINATE 分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ... 著者 McDonough, M.A, Gallimore, E, Clifton, I.J. 登録日 2016-10-27 公開日 2017-11-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND SUCCINATE To be published
5HSW	KSHV SOX RNA complex 分子名称: ACETATE ION, ORF 37, RNA (5'-R(P*UP*CP*UP*UP*GP*AP*AP*GP*CP*AP*GP*CP*UP*UP*CP*CP*AP*G)-3') 著者 Barrett, T.E. 登録日 2016-01-26 公開日 2017-02-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 KSHV SOX mediated host shutoff: the molecular mechanism underlying mRNA transcript processing. Nucleic Acids Res., 45, 2017
7MFK	Structure of the Clostridium perfringens GH89 in complex with alpha-HNJNAc 分子名称: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ... 著者 Boraston, A.B. 登録日 2021-04-09 公開日 2021-07-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*. Chemistry, 27, 2021
6ZMP	Crystal structure of Chaetomium thermophilum Naa20 in complex with a bisubstrate analogue 分子名称: CARBOXYMETHYL COENZYME *A, CMC-MET-ASP-GLU-LEU, N-terminal acetyltransferase-like protein 著者 Layer, D, Kopp, J, Sinning, I. 登録日 2020-07-03 公開日 2020-12-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Structural basis of Naa20 activity towards a canonical NatB substrate. Commun Biol, 4, 2021
8B35	Chalcone synthase from Hordeum vulgare complexed with CoA and naringenin 分子名称: COENZYME A, Chalcone synthase 2, NARINGENIN 著者 Zhang, L, Groves, M.R. 登録日 2022-09-15 公開日 2023-09-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids. J.Agric.Food Chem., 72, 2024
6R4C	Aurora-A in complex with shape-diverse fragment 57 分子名称: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... 著者 Bayliss, R, McIntyre, P.J. 登録日 2019-03-22 公開日 2019-05-01 最終更新日 2019-07-10 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
8B4J	Rfa1-N-terminal domain in complex with phosphorylated Ddc2 分子名称: 1,2-ETHANEDIOL, DNA damage checkpoint protein LCD1, Replication factor A protein 1, ... 著者 Yates, L.A, Zhang, X. 登録日 2022-09-20 公開日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 A DNA damage-induced phosphorylation circuit enhances Mec1 ATR Ddc2 ATRIP recruitment to Replication Protein A. Proc.Natl.Acad.Sci.USA, 120, 2023

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