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PDB: 88675 件

6FBT
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The X-ray Structure of Lytic Transglycosylase Slt from Pseudomonas aeruginosa in complex with the reaction product NAG-anhNAMpentapeptide
分子名称: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, NAG-anhNAMpentapeptide, ...
著者Batuecas, M.T, Dominguez-Gil, T, Hermoso, J.A.
登録日2017-12-19
公開日2018-04-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8P99
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SARS-CoV-2 S-protein:D614G mutant in 1-up conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1,Spike glycoprotein
著者Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L.
登録日2023-06-05
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein.
J.Med.Chem., 66, 2023
7T0P
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JAK2 JH2 IN COMPLEX WITH JAK315
分子名称: 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid, GLYCEROL, Tyrosine-protein kinase JAK2
著者Ippolito, J.A, Liosi, M.-E, Krimmer, S.G, Schlessinger, J, Jorgensen, W.L.
登録日2021-11-30
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Insights on JAK2 Modulation by Potent, Selective, and Cell-Permeable Pseudokinase-Domain Ligands.
J.Med.Chem., 65, 2022
6S8V
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Structure of the high affinity Anticalin P3D11 in complex with the human CD98 heavy chain ectodomain
分子名称: 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, Neutrophil gelatinase-associated lipocalin
著者Schiefner, A, Deuschle, F.-C, Skerra, A.
登録日2019-07-10
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of a high affinity Anticalin®directed against human CD98hc for theranostic applications.
Theranostics, 10, 2020
8PHW
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Human OATP1B1
分子名称: CHOLESTEROL HEMISUCCINATE, Fab18 (heavy chain, variable region), ...
著者Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P.
登録日2023-06-20
公開日2023-09-27
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of human drug transporters OATP1B1 and OATP1B3.
Nat Commun, 14, 2023
6FCR
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The X-ray Structure of Lytic Transglycosylase Slt inactive mutant E503Q from Pseudomonas aeruginosa in complex with NAG-NAMtetrapeptide-NAG-anhNAMtetrapeptide
分子名称: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Batuecas, M.T, Dominguez-Gil, T, Hermoso, J.A.
登録日2017-12-21
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8ETQ
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Designed pentafoil knot protein folded into a trefoil knot
分子名称: k-cTRP5
著者Doyle, L.A, Kibler, R.D, Bradley, P, Stoddard, B.L.
登録日2022-10-17
公開日2023-10-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
6PA6
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ECAII(T89V,K162T) MUTANT IN COMPLEX WITH L-ASN AT PH 8.3 in space group C2
分子名称: ASPARAGINE, IMIDAZOLE, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-06-11
公開日2019-09-04
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
5K0X
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Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541
分子名称: (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer
著者McIver, A.L, Zhang, W, Liu, Q, Jiang, X, Stashko, M.A, Nichols, J, Miley, M.J, Norris-Drouin, J, Machius, M, DeRyckere, D, Wood, E, Graham, D.K, Earp, H.S, Kireev, D, Frye, S.V, Wang, X.
登録日2016-05-17
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.231 Å)
主引用文献Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors.
ChemMedChem, 12, 2017
7TA4
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Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 9/10
分子名称: 3C-like proteinase, Nonstructural protein 9/10
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-20
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
6SDJ
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Human Carbonic Anhydrase II in complex with (R)-1-aminopropan-2-ol
分子名称: (2~{R})-1-azanylpropan-2-ol, (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-07-27
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
6VHQ
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Crystal structure of Bacillus subtilis levansucrase (D86A/E342A) in complex with oligosaccharides
分子名称: BROMIDE ION, CALCIUM ION, Glycoside hydrolase family 68 protein, ...
著者Diaz-Vilchis, A, Raga-Carbajal, E, Rojas-Trejo, S, Olvera, C, Rudino-Pinera, E.
登録日2020-01-10
公開日2021-01-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献The molecular basis of the nonprocessive elongation mechanism in levansucrases.
J.Biol.Chem., 296, 2020
7T70
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Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 4/5
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-14
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
4Y8V
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Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with ADP and additional ADP bound to phosphate binding site
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, alpha subunit of acetyl-CoA synthetase (NDP forming), ...
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-16
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
7T9Y
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Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 8/9
分子名称: 3C-like proteinase, GLYCEROL, Nonstructural protein 8/9
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-20
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7TA7
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Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 10/11
分子名称: 3C-like proteinase, GLYCEROL, Nonstructural protein 10/11
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-20
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
6XRV
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X-ray structure of the monoclinic crystal form at 1.43 A resolution of lipase from Thermomyces (Humicola) lanuginosa at 173 K
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate, CALCIUM ION, ...
著者McPherson, A.
登録日2020-07-13
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献The crystal Structures of Thermomyces (Humicola) lanuginosa lipase in complex with enzymatic reactants
Current Enzyme Inhibition, 16, 2020
7TC4
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Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 15/16
分子名称: 3C-like proteinase, GLYCEROL, Nonstructural protein 15/16
著者Shaqra, A.M, Schiffer, C.A.
登録日2021-12-22
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
5K1U
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Crystal structure of reduced Shewanella Yellow Enzyme 4 (SYE4) in complex with the hydride Meisenheimer complex of trinitrophenol
分子名称: FLAVIN MONONUCLEOTIDE, NAD(P)H:flavin oxidoreductase Sye4, PICRIC ACID
著者Elegheert, J, Brige, A, Savvides, S.N.
登録日2016-05-18
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands.
FEBS Lett., 591, 2017
6FHM
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Crystal structure of the F47E mutant of the lipoprotein localization factor, LolA
分子名称: GLYCEROL, Outer-membrane lipoprotein carrier protein
著者Kaplan, E, Greene, N.P, Crow, A, Koronakis, V.
登録日2018-01-15
公開日2018-07-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Insights into bacterial lipoprotein trafficking from a structure of LolA bound to the LolC periplasmic domain.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8P1B
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Lysozyme structure solved from serial crystallography data collected at 2 kHz with JUNGFRAU detector at MAXIV
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
著者Nan, J, Leonarski, F, Furrer, A, Dworkowski, F.
登録日2023-05-11
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023
6SCX
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Crystal structure of the catalytic domain of human NUDT12 in complex with 7-methyl-guanosine-5'-triphosphate
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, CADMIUM ION, Peroxisomal NADH pyrophosphatase NUDT12
著者McCarthy, A.A, Chen, K.M, Wu, H, Li, L, Homolka, D, Gos, P, Fleury-Olela, F, Pillai, R.S.
登録日2019-07-25
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Decapping Enzyme NUDT12 Partners with BLMH for Cytoplasmic Surveillance of NAD-Capped RNAs.
Cell Rep, 29, 2019
6PCV
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Single Particle Reconstruction of Phosphatidylinositol (3,4,5) trisphosphate-dependent Rac exchanger 1 bound to G protein beta gamma subunits
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Phosphatidylinositol (3,4,5) trisphosphate-dependent Rac exchanger 1
著者Cash, J.N, Cianfrocco, M.A, Tesmer, J.J.G.
登録日2019-06-18
公開日2019-10-23
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-electron microscopy structure and analysis of the P-Rex1-G beta gamma signaling scaffold.
Sci Adv, 5, 2019
4Y6S
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Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC134, and manganese
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ...
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2015-02-13
公開日2015-04-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
5KBK
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Candida Albicans Superoxide Dismutase 5 (SOD5), E110A Mutant
分子名称: COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION
著者Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J.
登録日2016-06-03
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.411 Å)
主引用文献The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases.
J.Biol.Chem., 291, 2016

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