2I21
 
 | | Bacteriorhodopsin/lipid complex, T46V mutant | | 分子名称: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ... | | 著者 | Lanyi, J.K, Schobert, B. | | 登録日 | 2006-08-15 | | 公開日 | 2006-10-10 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Propagating Structural Perturbation Inside Bacteriorhodopsin: Crystal Structures of the M State and the D96A and T46V Mutants.
Biochemistry, 45, 2006
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7BEP
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-384 and S309 Fabs | | 分子名称: | CHLORIDE ION, COVOX-384 heavy chain, COVOX-384 light chain, ... | | 著者 | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | 登録日 | 2020-12-24 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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6L72
 | | Sirtuin 2 demyristoylation native final product | | 分子名称: | NAD-dependent protein deacetylase sirtuin-2, ZINC ION, [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate | | 著者 | Chen, L.F. | | 登録日 | 2019-10-30 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Sirtuin 2 protein with H3K18 myristoylated peptide
To Be Published
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7C0K
 | | Crystal structure of a dinucleotide-binding protein of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form II) | | 分子名称: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-HYDROXY BUTANE-1,4-DIOL, ... | | 著者 | Kanaujia, S.P, Chandravanshi, M. | | 登録日 | 2020-05-01 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
Febs J., 288, 2021
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5DO9
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6RM8
 | | Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | 著者 | Hamann, F, Neumann, P, Ficner, R. | | 登録日 | 2019-05-06 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5Q1E
 | | Ligand binding to FARNESOID-X-RECEPTOR | | 分子名称: | 5-bromo-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-1'-(thiophene-2-sulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | 登録日 | 2017-05-31 | | 公開日 | 2017-07-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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6UXR
 | | Crystal structure of BAK core domain BH3-groove-dimer in complex with LysoPC | | 分子名称: | Bcl-2 homologous antagonist/killer, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | | 著者 | Cowan, A.D, Colman, P.M, Czabotar, P.E. | | 登録日 | 2019-11-07 | | 公開日 | 2020-09-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
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5G3X
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6Q29
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6V1Y
 | | Cryo-EM Structure of the Hyperpolarization-Activated Potassium Channel KAT1: Octamer | | 分子名称: | (2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate, (3beta,5beta,14beta,17alpha)-cholestan-3-ol, Potassium channel KAT1 | | 著者 | Clark, M.D, Contreras, G.F, Shen, R, Perozo, E. | | 登録日 | 2019-11-21 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Electromechanical coupling in the hyperpolarization-activated K + channel KAT1.
Nature, 583, 2020
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6LM0
 | | The crystal structure of cyanorhodopsin (CyR) N2098R from cyanobacteria Calothrix sp. NIES-2098 | | 分子名称: | DECANE, HEXANE, N-OCTANE, ... | | 著者 | Hosaka, T, Kimura-Someya, T, Shirouzu, M. | | 登録日 | 2019-12-24 | | 公開日 | 2020-10-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | A unique clade of light-driven proton-pumping rhodopsins evolved in the cyanobacterial lineage.
Sci Rep, 10, 2020
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2XWP
 | | ANAEROBIC COBALT CHELATASE (CbiK) FROM SALMONELLA TYPHIMURIUM IN COMPLEX WITH METALATED TETRAPYRROLE | | 分子名称: | COBALT SIROHYDROCHLORIN, GLYCEROL, SIROHYDROCHLORIN COBALTOCHELATASE | | 著者 | Ladakis, D, Brindley, A.A, Deery, E, Warren, M.J, Pickersgill, R.W. | | 登録日 | 2010-11-04 | | 公開日 | 2010-12-22 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Evolution in a Family of Chelatases Facilitated by the Introduction of Active Site Asymmetry and Protein Oligomerization.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5BP2
 | | Dehydratase domain (DH) of a mycocerosic acid synthase-like (MAS-like) PKS, crystal form 1 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Herbst, D.A, Jakob, P.R, Zaehringer, F, Maier, T. | | 登録日 | 2015-05-27 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Mycocerosic acid synthase exemplifies the architecture of reducing polyketide synthases.
Nature, 531, 2016
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5BQH
 | | Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | | 分子名称: | (2-hydroxyethoxy)acetaldehyde, GLUTATHIONE, N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide, ... | | 著者 | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | | 登録日 | 2015-05-29 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | | 主引用文献 | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
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1M0L
 | | BACTERIORHODOPSIN/LIPID COMPLEX AT 1.47 A RESOLUTION | | 分子名称: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN, ... | | 著者 | Lanyi, J.K. | | 登録日 | 2002-06-13 | | 公開日 | 2002-09-11 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Crystallographic structure of the K intermediate of bacteriorhodopsin: conservation of free energy after photoisomerization of the retinal.
J.Mol.Biol., 321, 2002
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5BRX
 | | X-ray crystal structure of Aplysia californica (Ac-AChBP) in complex with 2-pyridyl azatricyclo[3.3.1.13,7]decane; 2-pyridylazaadamantane; 2-Aza (TI-8480) | | 分子名称: | (2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane, SULFATE ION, Soluble acetylcholine receptor, ... | | 著者 | Bobango, J, Sankaran, B, Park, J.F, Wu, J, Talley, T.T. | | 登録日 | 2015-06-01 | | 公開日 | 2015-06-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Comparisons of Binding Affinities for Neuronal Nicotinic Receptors (NNRs) and AChBPs
To Be Published
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6QD5
 | | X-ray Structure of the Human Urea Channel SLC14A1/UT1 | | 分子名称: | CHOLESTEROL HEMISUCCINATE, TETRAETHYLENE GLYCOL, Urea transporter 1, ... | | 著者 | Dietz, L, Chi, G, Pike, A.C.W, Moreau, C, Man, H, Snee, M, Scacioc, A, Shrestha, L, Mukhopadhyay, S.M.M, Mckinley, G, Ellis, K, Kliszcak, M, Chalk, R, Borkowska, O, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Durr, K.L, Structural Genomics Consortium (SGC) | | 登録日 | 2018-12-31 | | 公開日 | 2019-01-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.398 Å) | | 主引用文献 | X-ray Structure of the Human Urea Channel SLC14A1/UT1
To Be Published
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5R8E
 | | PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z57475877 in complex with INTERLEUKIN-1 BETA | | 分子名称: | Interleukin-1 beta, SULFATE ION, ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide | | 著者 | De Nicola, G.F, Nichols, C.E. | | 登録日 | 2020-03-03 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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5H9O
 | | Complex of Murine endoplasmic reticulum alpha-glucosidase II with D-Glucose | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | | 登録日 | 2015-12-29 | | 公開日 | 2016-07-27 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7KNF
 | | 1.80A resolution structure of independent Phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Ce-1 NHOH) | | 分子名称: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, DTY-ASP-TYR-PRO-GLY-ASP-HIS-CYS-TYR-LEU-TYR-GLY-THR, SODIUM ION, ... | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Weidmann, M, Dranchak, P, Aitha, M, Queme, B, Collmus, C.D, Kanter, L, Lamy, L, Tao, D, Rai, G, Suga, H, Inglese, J. | | 登録日 | 2020-11-04 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-activity relationship of ipglycermide binding to phosphoglycerate mutases.
J.Biol.Chem., 296, 2021
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5RM0
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1492796719 | | 分子名称: | Helicase, PHOSPHATE ION, ZINC ION, ... | | 著者 | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2020-09-16 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.909 Å) | | 主引用文献 | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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1XSB
 | | Structure of the nudix enzyme AP4A hydrolase from homo sapiens (E63A mutant) in complex with ATP. No ATP restraints included | | 分子名称: | Bis(5'-nucleosyl)-tetraphosphatase | | 著者 | Swarbrick, J.D, Buyya, S, Gunawardana, D, Gayler, K.R, McLennan, A.G, Gooley, P.R. | | 登録日 | 2004-10-18 | | 公開日 | 2004-12-21 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure and Substrate-binding Mechanism of Human Ap4A Hydrolase
J.Biol.Chem., 280, 2005
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6RMC
 | | Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative mRNA splicing factor, ... | | 著者 | Hamann, F, Neumann, P, Schmitt, A, Ficner, R. | | 登録日 | 2019-05-06 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5GY2
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