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

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6RAS	Pmar-Lig_Pre. 分子名称: ADENOSINE MONOPHOSPHATE, ATP-dependent DNA ligase, DNA, ... 著者 Leiros, H.K.S, Williamson, A. 登録日 2019-04-07 公開日 2019-07-10 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation. Nucleic Acids Res., 47, 2019
6FPG	Structure of the Ustilago maydis chorismate mutase 1 in complex with a Zea mays kiwellin 分子名称: CITRIC ACID, Chromosome 16, whole genome shotgun sequence, ... 著者 Altegoer, F, Steinchen, W, Bange, G. 登録日 2018-02-09 公開日 2019-01-16 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A kiwellin disarms the metabolic activity of a secreted fungal virulence factor. Nature, 565, 2019
8QDY	Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 8 分子名称: 3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 著者 Schimpl, M. 登録日 2023-08-30 公開日 2024-03-20 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
5HW5	Crystal structure of TEM1 beta-lactamase in the presence of 2.0 MPa xenon 分子名称: Beta-lactamase TEM, XENON 著者 Roose, B.W, Dmochowski, I.J. 登録日 2016-01-28 公開日 2017-06-28 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Structure of TEM1 beta-lactamase To Be Published
7RGY	Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside 分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside 著者 Collins, P.M, Kishor, C, Blanchard, H. 登録日 2021-07-15 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.337 Å) 主引用文献 Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia. J.Med.Chem., 65, 2022
6DBN	Jak1 with compound 23 分子名称: Tyrosine-protein kinase JAK1, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone 著者 Vajdos, F.F. 登録日 2018-05-03 公開日 2018-08-29 最終更新日 2018-11-07 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841). J. Med. Chem., 61, 2018
7MWC	ERAP1 binds peptide C-terminus of a LPF sequence (AAAAFKARKF) 分子名称: Endoplasmic reticulum aminopeptidase 1,LPF sequence 著者 Guo, H.C, Sui, L. 登録日 2021-05-16 公開日 2021-07-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 ERAP1 binds peptide C-termini of different sequences and/or lengths by a common recognition mechanism. Immunobiology, 226, 2021
5TVX	Crystal structure of mitochondrial Hsp90 (TRAP1) with ATP in absence of Mg, fully hydrolyzed 分子名称: ADENOSINE-5'-DIPHOSPHATE, TNF receptor-associated protein 1 著者 Elnatan, D, Betegon, M, Agard, D.A. 登録日 2016-11-10 公開日 2017-10-25 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Symmetry broken and rebroken during the ATP hydrolysis cycle of the mitochondrial Hsp90 TRAP1. Elife, 6, 2017
6IH1	Crystal structure of a standalone versatile EAL protein from Vibrio cholerae O395 - c-di-GMP bound form 分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, cyclic di nucleotide phoshodiesterase 著者 Yadav, M, Pal, K, Sen, U. 登録日 2018-09-28 公開日 2019-10-02 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structures of c-di-GMP/cGAMP degrading phosphodiesterase VcEAL: identification of a novel conformational switch and its implication. Biochem.J., 476, 2019
7MWB	ERAP1 binds peptide C-terminus of a SPF sequence (FKARKF) 分子名称: Endoplasmic reticulum aminopeptidase 1,SPF Sequence 著者 Guo, H.C, Sui, L. 登録日 2021-05-16 公開日 2021-07-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 ERAP1 binds peptide C-termini of different sequences and/or lengths by a common recognition mechanism. Immunobiology, 226, 2021
8B45	Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4 分子名称: 1,2-ETHANEDIOL, CC-Tri-(UbUc)4, SODIUM ION, ... 著者 Kumar, P, Martin, F.J.O, Dawson, W.M, Zieleniewski, F, Woolfson, D.N. 登録日 2022-09-19 公開日 2023-09-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4 To Be Published
7R5C	Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-29 (G206C, R207S, D210L, S211V) 分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Isoaspartyl peptidase, ... 著者 Barciszewski, J, Imiolczyk, B, Loch, J.I, Jaskolski, M. 登録日 2022-02-10 公開日 2022-07-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase. Acta Crystallogr D Struct Biol, 78, 2022
6RC4	Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative 分子名称: 2-(6-azanyl-8-methyl-purin-9-yl)ethanol, CITRIC ACID, NAD kinase 1 著者 Gelin, M, Labesse, G. 登録日 2019-04-11 公開日 2020-02-19 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.278 Å) 主引用文献 From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus. Acs Infect Dis., 6, 2020
7M2G	INTERLEUKIN-2 (human) mutant P65K, C125S 分子名称: GLYCEROL, Interleukin-2, SULFATE ION 著者 Ptacin, J.L, Milla, M.E, Steinbacher, S, Maskos, K, Thomsen, M. 登録日 2021-03-16 公開日 2021-08-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 An engineered IL-2 reprogrammed for anti-tumor therapy using a semi-synthetic organism. Nat Commun, 12, 2021
6IFQ	Crystal structure of a standalone versatile EAL protein from Vibrio cholerae O395 - Apo form 分子名称: CALCIUM ION, cyclic di nucleotide phoshodiesterase 著者 Yadav, M, Pal, K, Sen, U. 登録日 2018-09-20 公開日 2019-10-02 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structures of c-di-GMP/cGAMP degrading phosphodiesterase VcEAL: identification of a novel conformational switch and its implication. Biochem.J., 476, 2019
6H4R	Crystal structure of human KDM4A in complex with compound 17f 分子名称: 8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Le Bihan, Y.V, van Montfort, R.L.M. 登録日 2018-07-23 公開日 2019-06-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
7R8Q	Closed form of SAOUHSC_02373 in complex with ADP, citrate, Mg2+ and Na+ 分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, CITRIC ACID, ... 著者 Pederick, J.L, Bruning, J.B. 登録日 2021-06-27 公開日 2022-09-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of an ʟ-amino acid ligase implicated in Staphylococcal sulfur amino acid metabolism. J.Biol.Chem., 298, 2022
8BO9	NanoLuc-D9R/H57A/K89R mutant complexed with azacoelenterazine bound in intra-barrel catalytic site 分子名称: 3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, Non structural polyprotein 著者 Marek, M, Janin, L.Y. 登録日 2022-11-15 公開日 2023-09-27 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Illuminating the mechanism and allosteric behavior of NanoLuc luciferase. Nat Commun, 14, 2023
7MF4	Crystal structure of Trypanosoma cruzi cytosolic Malic Enzyme 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, Malic enzyme 著者 Ranzani, A.T, Cordeiro, A.T. 登録日 2021-04-08 公開日 2021-07-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
5TXE	AtxE2 Isopeptidase - S527A Variant with Astexin3-dC4 Bound 分子名称: Astexin3-dC4, AtxE2 著者 Chekan, J.R, Nair, S.K. 登録日 2016-11-16 公開日 2016-12-21 最終更新日 2017-01-04 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure of the Lasso Peptide Isopeptidase Identifies a Topology for Processing Threaded Substrates. J. Am. Chem. Soc., 138, 2016
6RCK	Crystal structure of the OmpK36 GD insertion chimera from Klebsiella pneumonia 分子名称: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, ... 著者 Beis, K, Romano, M, Kwong, J. 登録日 2019-04-11 公開日 2019-09-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.029 Å) 主引用文献 OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo. Nat Commun, 10, 2019
6H4Z	Crystal structure of human KDM5B in complex with compound 16a 分子名称: 1,2-ETHANEDIOL, 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... 著者 Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. 登録日 2018-07-23 公開日 2019-06-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
8BWG	HRas (1-166) Y64 phosphorylation 分子名称: GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Baumann, P, Jin, Y. 登録日 2022-12-06 公開日 2023-09-27 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes. Commun Chem, 7, 2024
7MJU	Crystal structure of human AF10 PZP bound to histone H3 tail 分子名称: Histone H3.1,Protein AF-10, ZINC ION 著者 Klein, B.J, Kutateladze, T.G. 登録日 2021-04-20 公開日 2021-08-04 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The role of the PZP domain of AF10 in acute leukemia driven by AF10 translocations. Nat Commun, 12, 2021
7R2W	Mutant S-adenosylmethionine synthetase from E.coli complexed with AMPPNP and methionine 分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, POTASSIUM ION, ... 著者 Shahar, A, Kleiner, D, Bershtein, S, Zarivach, R. 登録日 2022-02-06 公開日 2022-07-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Evolution of homo-oligomerization of methionine S-adenosyltransferases is replete with structure-function constrains. Protein Sci., 31, 2022

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