6ZJN
 
 | | Respiratory complex I from Thermus thermophilus, NADH dataset, minor state | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, NADH-quinone oxidoreductase subunit 1, ... | | 著者 | Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A. | | 登録日 | 2020-06-29 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (6.1 Å) | | 主引用文献 | Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
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6ZAS
 | | Damage-free as-isolated copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) determined by serial femtosecond rotation crystallography | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION | | 著者 | Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S. | | 登録日 | 2020-06-05 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures.
Sci Adv, 7, 2021
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5JMU
 | | The crystal structure of the catalytic domain of peptidoglycan N-acetylglucosamine deacetylase from Eubacterium rectale ATCC 33656 | | 分子名称: | ACETATE ION, MAGNESIUM ION, Peptidoglycan N-acetylglucosamine deacetylase, ... | | 著者 | Tan, K, Gu, M, Clancy, S, Joachimiak, A. | | 登録日 | 2016-04-29 | | 公開日 | 2016-06-29 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | The crystal structure of the catalytic domain of peptidoglycan N-acetylglucosamine deacetylase from Eubacterium rectale ATCC 33656 (CASP target)
To Be Published
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4JJ0
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2XYF
 | | HIV-1 Inhibitors with a Tertiary-Alcohol-containing Transition-State Mimic and various P2 and P1 prime Substituents | | 分子名称: | METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-THIOPHEN-3-YLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, PROTEASE | | 著者 | Ohrngren, P, Wu, X, Persson, M, Ekegren, J.K, Wallberg, H, Rosenquist, A, Samuelsson, B, Unge, T, Larhed, M. | | 登録日 | 2010-11-17 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | HIV-1 Protease Inhibitors with a Tertiary Alcohol Containing Transition-State Mimic and Various P2 and P1' Substituents
Med.Chem.Commun., 2, 2011
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2XYQ
 | | Crystal structure of the nsp16 nsp10 SARS coronavirus complex | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, NON-STRUCTURAL PROTEIN 10, ... | | 著者 | Decroly, E, Debarnot, C, Ferron, F, Bouvet, M, Coutard, B, Imbert, I, Gluais, L, Papageorgiou, N, Ortiz-Lombardia, M, Lescar, J, Canard, B. | | 登録日 | 2010-11-18 | | 公開日 | 2011-10-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure and Functional Analysis of the Sars-Coronavirus RNA CAP 2'-O-Methyltransferase Nsp10/Nsp16 Complex.
Plos Pathog., 7, 2011
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8OM6
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2XNB
 | | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | | 分子名称: | 3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | | 登録日 | 2010-08-01 | | 公開日 | 2010-11-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
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8OGF
 | | Human Carbonic Anhydrase II in complex with 4-(((1-(3-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)amino)benzenesulfonamide | | 分子名称: | 4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Angeli, A, Ferraroni, M. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.321 Å) | | 主引用文献 | Human Carbonic Anhydrase II in complex with 4-(((1-(3-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)amino)benzenesulfonamide
To Be Published
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5HF3
 | | Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma | | 分子名称: | 14-3-3 protein sigma, modified Tau peptide | | 著者 | Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C. | | 登録日 | 2016-01-06 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015
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2XKG
 | | C.lacteus mini-Hb Leu86Ala mutant | | 分子名称: | NEURAL HEMOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Pesce, A, Nardini, M, Dewilde, S, Capece, L, Marti, M.A, Congia, S, Salter, M.D, Blouin, G.C, Estrin, D.A, Ascenzi, P, Moens, L, Bolognesi, M, Olson, J.S. | | 登録日 | 2010-07-08 | | 公開日 | 2010-12-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Ligand Migration in the Apolar Tunnel of Cerebratulus Lacteus Mini-Hemoglobin.
J.Biol.Chem., 286, 2011
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6ZI0
 | | Crystal structure of the isolated H. influenzae VapD toxin (wildtype) | | 分子名称: | Endoribonuclease VapD | | 著者 | Bertelsen, M.B, Senissar, M, Nielsen, M.H, Bisiak, F, Cunha, M.V, Molinaro, A.L, Daines, D.A, Brodersen, D.E. | | 登録日 | 2020-06-24 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Basis for Toxin Inhibition in the VapXD Toxin-Antitoxin System.
Structure, 29, 2021
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6FWJ
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine) and alpha-1,2-mannobiose | | 分子名称: | (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | | 著者 | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | 登録日 | 2018-03-06 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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5JEI
 | | Crystal structure of the GluA2 LBD in complex with FW | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, ... | | 著者 | Eibl, C, Salazar, H, Chebli, M, Plested, A.J.R. | | 登録日 | 2016-04-18 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.229 Å) | | 主引用文献 | Mechanism of partial agonism in AMPA-type glutamate receptors.
Nat Commun, 8, 2017
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6FYH
 | | Disulfide between ubiquitin G76C and the E3 HECT ligase Huwe1 | | 分子名称: | E3 ubiquitin-protein ligase HUWE1, Polyubiquitin-B, SULFATE ION, ... | | 著者 | Jaeckl, M, Hartmann, M.D, Wiesner, S. | | 登録日 | 2018-03-12 | | 公開日 | 2018-07-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.906 Å) | | 主引用文献 | beta-Sheet Augmentation Is a Conserved Mechanism of Priming HECT E3 Ligases for Ubiquitin Ligation.
J. Mol. Biol., 430, 2018
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8P1R
 | | Bifidobacterium asteroides alpha-L-fucosidase (TT1819) catalytic mutant. | | 分子名称: | 1,2-ETHANEDIOL, Bifidobacterium asteroides alpha-L-fucosidase (TT1819) catalytic mutant, MAGNESIUM ION | | 著者 | Owen, C.D, Penner, M, Gascuena, A.N, Wu, H, Hernando, P.J, Monaco, S, Le Gall, G, Gardner, R, Ndeh, D, Urbanowicz, P.A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | | 登録日 | 2023-05-12 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.659 Å) | | 主引用文献 | Exploring sequence, structure and function of microbial fucosidases from glycoside hydrolase GH29 family
To Be Published
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6ZDF
 | | Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with HEPES | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glycoprotein endo-alpha-1,2-mannosidase | | 著者 | Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | | 登録日 | 2020-06-14 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6ZAT
 | | Nitrite-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) at 1.0 A resolution (unrestrained full matrix refinement by SHELX) | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | | 著者 | Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S. | | 登録日 | 2020-06-05 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures.
Sci Adv, 7, 2021
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8OWK
 | | Lipidic amyloid-beta(1-40) fibril - polymorph L3-L3 | | 分子名称: | Amyloid-beta A4 protein | | 著者 | Frieg, B, Han, M, Giller, K, Dienemann, C, Riedel, D, Becker, S, Andreas, L.B, Griesinger, C, Schroeder, G.F. | | 登録日 | 2023-04-28 | | 公開日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.86 Å) | | 主引用文献 | Cryo-EM structures of lipidic fibrils of amyloid-beta (1-40).
Nat Commun, 15, 2024
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1I2W
 | | BETA-LACTAMASE FROM BACILLUS LICHENIFORMIS BS3 COMPLEXED WITH CEFOXITIN | | 分子名称: | (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, BETA-LACTAMASE, CARBAMIC ACID | | 著者 | Fonze, E, Vanhove, M, Dive, G, Sauvage, E, Frere, J.M, Charlier, P. | | 登録日 | 2001-02-12 | | 公開日 | 2002-03-13 | | 最終更新日 | 2018-09-12 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structures of the Bacillus licheniformis BS3 class A beta-lactamase and of the acyl-enzyme adduct formed with cefoxitin
Biochemistry, 41, 2002
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8OG2
 | | Crystal structure of CREBBP histone acetyltransferase domain in complex with Coenzyme A | | 分子名称: | COENZYME A, SODIUM ION, SULFATE ION, ... | | 著者 | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | 登録日 | 2023-03-17 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Crystal structure of CREBBP histone acetyltransferase domain in complex with Coenzyme A
To Be Published
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6ZEE
 | | Structure of PP1(7-300) bound to Phactr1 (507-580) at pH8.4 | | 分子名称: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE, GLYCEROL, ... | | 著者 | Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M. | | 登録日 | 2020-06-16 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
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5H9A
 | | Crystal structure of the Apo form of human cellular retinol binding protein 1 | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Retinol-binding protein 1 | | 著者 | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | | 登録日 | 2015-12-26 | | 公開日 | 2016-03-02 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.381 Å) | | 主引用文献 | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures.
J.Biol.Chem., 291, 2016
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2XKH
 | | Xe derivative of C.lacteus mini-Hb Leu86Ala mutant | | 分子名称: | NEURAL HEMOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Pesce, A, Nardini, M, Dewilde, S, Capece, L, Marti, M.A, Congia, S, Salter, M.D, Blouin, G.C, Estrin, D.A, Ascenzi, P, Moens, L, Bolognesi, M, Olson, J.S. | | 登録日 | 2010-07-08 | | 公開日 | 2010-12-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Ligand Migration in the Apolar Tunnel of Cerebratulus Lacteus Mini-Hemoglobin.
J.Biol.Chem., 286, 2011
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5KR4
 | | Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries | | 分子名称: | 1,2-ETHANEDIOL, 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Wilding, M, Newman, J, Peat, T.S, Scott, C. | | 登録日 | 2016-07-06 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
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