4J37
 
 | | Crystal structure of the catalytic domain of human Pus1 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | | 著者 | Czudnochowski, N, Finer-Moore, J.S, Stroud, R.M. | | 登録日 | 2013-02-05 | | 公開日 | 2013-06-05 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | In Human Pseudouridine Synthase 1 (hPus1), a C-Terminal Helical Insert Blocks tRNA from Binding in the Same Orientation as in the Pus1 Bacterial Homologue TruA, Consistent with Their Different Target Selectivities.
J.Mol.Biol., 425, 2013
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4QVE
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4QXI
 | | Crystal structure of human AR complexed with NADP+ and AK198 | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | | 著者 | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Hobza, P, Podjarny, A.D. | | 登録日 | 2014-07-21 | | 公開日 | 2015-07-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (0.867 Å) | | 主引用文献 | The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition.
Acs Chem.Biol., 10, 2015
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5B6A
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5B7M
 | | Structure of perdeuterated CueO - the signal peptide was truncated by HRV3C protease | | 分子名称: | Blue copper oxidase CueO, COPPER (II) ION | | 著者 | Akter, M, Higuchi, Y, Shibata, N. | | 登録日 | 2016-06-07 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Biochemical, spectroscopic and X-ray structural analysis of deuterated multicopper oxidase CueO prepared from a new expression construct for neutron crystallography
Acta Crystallogr.,Sect.F, 72, 2016
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6E92
 | | CA IX mimic Complexed with Steroidal Sulfamate Compound STX 2845 | | 分子名称: | 6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium, Carbonic anhydrase 2, ZINC ION | | 著者 | Andring, J.T, Mckenna, R. | | 登録日 | 2018-07-31 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.772 Å) | | 主引用文献 | 3,17 beta-Bis-sulfamoyloxy-2-methoxyestra-1,3,5(10)-triene and Nonsteroidal Sulfamate Derivatives Inhibit Carbonic Anhydrase IX: Structure-Activity Optimization for Isoform Selectivity.
J. Med. Chem., 62, 2019
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5BUA
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4KIG
 | | Crystal structure of methyltransferase from Streptomyces hygroscopicus complexed with 4-hydroxyphenylpyruvic acid | | 分子名称: | (2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, CALCIUM ION, ... | | 著者 | Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L. | | 登録日 | 2013-05-02 | | 公開日 | 2014-05-07 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Acta Crystallogr.,Sect.D, 70, 2014
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4R59
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6ECT
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6EDT
 | | Mycobacterium tuberculosis RNAP open promoter complex with RbpA/CarD and AP3 promoter | | 分子名称: | DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | 著者 | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | | 登録日 | 2018-08-10 | | 公開日 | 2018-11-21 | | 最終更新日 | 2025-06-04 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding.
Nature, 565, 2019
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5BRU
 | | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | | 分子名称: | Carbonic anhydrase 2, SULFATE ION, ZINC ION, ... | | 著者 | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | | 登録日 | 2015-06-01 | | 公開日 | 2015-06-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
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7K5Z
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7K4Y
 | | Crystal structure of Kemp Eliminase HG3.17 at 343 K | | 分子名称: | Endo-1,4-beta-xylanase | | 著者 | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | 登録日 | 2020-09-16 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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6EF4
 | | Crystal structure of mouse PP2A Aalpha P179R mutant | | 分子名称: | Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform | | 著者 | Wang, Z, Shen, G, Xu, W. | | 登録日 | 2018-08-16 | | 公開日 | 2019-06-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | The Highly Recurrent PP2A A alpha-Subunit Mutation P179R Alters Protein Structure and Impairs PP2A Enzyme Function to Promote Endometrial Tumorigenesis.
Cancer Res., 79, 2019
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7K8N
 | | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C102 | | 分子名称: | C102 Fab Heavy Chain, C102 Fab Light Chain, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Jette, C.A, Barnes, C.O, Bjorkman, P.J. | | 登録日 | 2020-09-27 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies.
Nature, 588, 2020
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7K4X
 | | Crystal structure of Kemp Eliminase HG3.7 in complex with the transition state analog 6-nitrobenzotriazole | | 分子名称: | 6-NITROBENZOTRIAZOLE, ACETATE ION, Endo-1,4-beta-xylanase, ... | | 著者 | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | 登録日 | 2020-09-16 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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7K66
 | | Structure of Blood Coagulation Factor VIII in Complex with an Anti-C1 Domain Pathogenic Antibody Inhibitor | | 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, 2A9 heavy chain, ... | | 著者 | Childers, K.C, Gish, J, Jarvis, L, Peters, S, Garrels, C, Smith, I.W, Spencer, H.T, Spiegel, P.C. | | 登録日 | 2020-09-18 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (3.92 Å) | | 主引用文献 | Structure of blood coagulation factor VIII in complex with an anti-C1 domain pathogenic antibody inhibitor.
Blood, 137, 2021
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7K4Z
 | | Crystal structure of Kemp Eliminase HG3.17 in complex with the transition state analog 6-nitrobenzotriazole | | 分子名称: | 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, PENTAETHYLENE GLYCOL | | 著者 | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | 登録日 | 2020-09-16 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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7K8Q
 | | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C121 | | 分子名称: | C121 Fab Heavy Chain, C121 Fab Light Chain, GLYCEROL | | 著者 | Abernathy, M.E, Barnes, C.O, Bjorkman, P.J. | | 登録日 | 2020-09-27 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies.
Nature, 588, 2020
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6E69
 | | Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments | | 分子名称: | 2-(fluorosulfonyl)benzene-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wolan, D.W, Woehl, J.L, Kitamura, S. | | 登録日 | 2018-07-24 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7KAG
 | | Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2 | | 分子名称: | 1,2-ETHANEDIOL, Non-structural protein 3, SULFATE ION | | 著者 | Stogios, P.J, Skarina, T, Chang, C, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-09-30 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.21 Å) | | 主引用文献 | Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2
To Be Published
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5ALT
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | 3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-08 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5ALU
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | 4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-08 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5ALV
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | 3-(3-fluorophenyl)-1H-pyrazole, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-08 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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