8QI9
| CrPhotLOV1 dark state structure determined by serial synchrotron crystallography at room temperature | 分子名称: | FLAVIN MONONUCLEOTIDE, Phototropin | 著者 | Gotthard, G, Mous, S, Weinert, T, Maia, R.N.A, James, D, Dworkowski, F, Gashi, D, Antonia, F, Wang, M, Panepucci, E, Ozerov, D, Schertler, G.F.X, Heberle, J, Standfuss, J, Nogly, P. | 登録日 | 2023-09-11 | 公開日 | 2024-07-24 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography. Iucrj, 2024
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8QI8
| Cryogenic temperature dark state structure of CrPhotLOV1 | 分子名称: | FLAVIN MONONUCLEOTIDE, Phototropin | 著者 | Gotthard, G, Mous, S, Weinert, T, Maia, R.N.A, James, D, Dworkowski, F, Gashi, D, Antonia, F, Wang, M, Panepucci, E, Ozerov, D, Schertler, G.F.X, Heberle, J, Standfuss, J, Nogly, P. | 登録日 | 2023-09-11 | 公開日 | 2024-07-24 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Capturing the blue-light activated state of the Phot-LOV1 domain from Chlamydomonas reinhardtii using time-resolved serial synchrotron crystallography. Iucrj, 2024
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8QHR
| Crystal structure of the human DNPH1 glycosyl-enzyme intermediate | 分子名称: | 1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE, 1,2-ETHANEDIOL, 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, ... | 著者 | Rzechorzek, N.J, West, S.C. | 登録日 | 2023-09-09 | 公開日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Mechanism of substrate hydrolysis by the human nucleotide pool sanitiser DNPH1. Nat Commun, 14, 2023
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8QHQ
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8QHP
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8QHM
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8QHK
| Crystal structure of reduced respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to reduced 3-acetylpyridine adenine dinucleotide | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETYL PYRIDINE ADENINE DINUCLEOTIDE, REDUCED, ... | 著者 | Wohlwend, D, Friedrich, T, Bucka, S. | 登録日 | 2023-09-08 | 公開日 | 2024-04-03 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structures of 3-acetylpyridine adenine dinucleotide and ADP-ribose bound to the electron input module of respiratory complex I. Structure, 32, 2024
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8QHE
| Crystal structure IR-09 | 分子名称: | 6-phosphogluconate dehydrogenase NADP-binding domain-containing protein, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Levy, C.W. | 登録日 | 2023-09-07 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Biocatalysis in Drug Design: Engineered Reductive Aminases (RedAms) Are Used to Access Chiral Building Blocks with Multiple Stereocenters. J.Am.Chem.Soc., 145, 2023
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8QH7
| Crystal structure of respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to reduced 3-acetylpyridine adenine dinucleotide (without reducing agent) | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL PYRIDINE ADENINE DINUCLEOTIDE, ... | 著者 | Wohlwend, D, Friedrich, T. | 登録日 | 2023-09-06 | 公開日 | 2024-04-03 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structures of 3-acetylpyridine adenine dinucleotide and ADP-ribose bound to the electron input module of respiratory complex I. Structure, 32, 2024
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8QH6
| Crystal structure of IpgC in complex with a follow-up compound based on J20 | 分子名称: | 3-azanyl-6-chloranyl-isoindol-1-one, CHLORIDE ION, Chaperone protein IpgC, ... | 著者 | Wallbaum, J.E, Heine, A, Reuter, K. | 登録日 | 2023-09-06 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC. Acs Omega, 8, 2023
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8QH4
| Crystal structure of reduced respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to oxidized 3-acetylpyridine adenine dinucleotide | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Wohlwend, D, Friedrich, T. | 登録日 | 2023-09-06 | 公開日 | 2024-04-03 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Structures of 3-acetylpyridine adenine dinucleotide and ADP-ribose bound to the electron input module of respiratory complex I. Structure, 32, 2024
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8QH1
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8QH0
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8QGW
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8QG1
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8QFZ
| TSLP-Bicycle complex | 分子名称: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, CYS-HIS-TRP-LEU-GLU-ASN-CYS-TRP-ARG-GLY-PHE-CYS, Thymic stromal lymphopoietin | 著者 | Petersen, J. | 登録日 | 2023-09-05 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin. J.Med.Chem., 67, 2024
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8QFW
| Murine pyridoxal phosphatase in complex with 7,8-dihydroxyflavone | 分子名称: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CITRIC ACID, Chronophin, ... | 著者 | Schindelin, H, Gohla, A. | 登録日 | 2023-09-05 | 公開日 | 2024-06-12 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase. Elife, 13, 2024
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8QF8
| GH146 beta-L-arabinofuranosidase from Bacteroides thetaioatomicron in complex with beta-l-arabinofurano cyclophellitol aziridine | 分子名称: | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol, (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol, Glycosyl hydrolase, ... | 著者 | Borlandelli, V, Offen, W, Moroz, O.V, Nin-Hill, A, McGregor, N, Binkhorst, L, Armstrong, Z, Ishiwata, A, Artola, M, Rovira, C, Davies, G.J, Overkleeft, H. | 登録日 | 2023-09-04 | 公開日 | 2023-12-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | beta-l- Arabino furano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining beta-l-Arabinofuranosidases. Acs Chem.Biol., 18, 2023
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8QF2
| Beta-L-Arabinofurano-cyclitol Aziridines are Cysteine-directed Broad-spectrum Inhibitors and Activity-based Probes for Retaining Beta-L-arabinofuranosidases | 分子名称: | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION | 著者 | Borlandelli, V, Offen, W.A, Moroz, O, Nin-Hill, A, McGregor, N, Binkhorst, L, Armstrong, Z, Ishiwata, A, Artola, M, Rovira, C, Davies, G.J, Overkleeft, H. | 登録日 | 2023-09-02 | 公開日 | 2023-12-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | beta-l- Arabino furano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining beta-l-Arabinofuranosidases. Acs Chem.Biol., 18, 2023
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8QEZ
| Crystal structure of the AMPA receptor GluA2-L504Y-N775S ligand binding domain in complex with L-glutamate and positive allosteric modulator BPAM395 at 1.55A resolution | 分子名称: | 6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CACODYLATE ION, ... | 著者 | Dorosz, J, Laulumaa, S, Frydenvang, K, Kastrup, J.S. | 登録日 | 2023-09-01 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Exploring thienothiadiazine dioxides as isosteric analogues of benzo- and pyridothiadiazine dioxides in the search of new AMPA and kainate receptor positive allosteric modulators. Eur.J.Med.Chem., 264, 2023
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8QER
| Pseudomonas aeruginosa FabF C164A in complex with 4-(1H-pyrazole-3-carbonylamino)pentanoic acid | 分子名称: | (4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid, 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... | 著者 | Yadrykhins'ky, V, Brenk, R, Georgiou, C. | 登録日 | 2023-09-01 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
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8QEE
| S. cerevisia Niemann-Pick type C protein NCR1 in Peptidisc at pH 7.5 | 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, CHOLESTEROL HEMISUCCINATE, ... | 著者 | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | 登録日 | 2023-08-31 | 公開日 | 2023-10-18 | 最終更新日 | 2024-04-17 | 実験手法 | ELECTRON MICROSCOPY (2.43 Å) | 主引用文献 | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation. Proc.Natl.Acad.Sci.USA, 121, 2024
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8QED
| S. cerevisia Niemann-Pick type C protein NCR1 in LMNG at pH 5.5 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ERGOSTEROL, NPC intracellular sterol transporter 1-related protein 1, ... | 著者 | Frain, K.M, Nel, L, Dedic, E, Olesen, E, Stokes, D, Panyella Pedersen, B. | 登録日 | 2023-08-31 | 公開日 | 2023-10-18 | 最終更新日 | 2024-04-17 | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | 主引用文献 | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation. Proc.Natl.Acad.Sci.USA, 121, 2024
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8QEC
| S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 5.5 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, CHOLESTEROL HEMISUCCINATE, ... | 著者 | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | 登録日 | 2023-08-31 | 公開日 | 2023-10-18 | 最終更新日 | 2024-04-17 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation. Proc.Natl.Acad.Sci.USA, 121, 2024
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8QEB
| S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 7.5 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ERGOSTEROL, ... | 著者 | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | 登録日 | 2023-08-31 | 公開日 | 2023-10-18 | 最終更新日 | 2024-04-17 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation. Proc.Natl.Acad.Sci.USA, 121, 2024
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