4V1G
 
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7RJJ
 | | Crystal Structure of the Peptidoglycan Binding Domain of the Outer Membrane Protein (OmpA) from Klebsiella pneumoniae with bound D-alanine | | 分子名称: | CHLORIDE ION, D-ALANINE, OmpA family protein | | 著者 | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2021-07-21 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
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4WC6
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6YHJ
 | | Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e) | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Sandner, A, Heine, A, Klebe, G, Collins, C. | | 登録日 | 2020-03-30 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Thrombin in complex with D-Phe-Pro-2-chlorothiophen derivative (16e)
To be published
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5DGJ
 | | 1.0A resolution structure of Norovirus 3CL protease in complex an oxadiazole-based, cell permeable macrocyclic (20-mer) inhibitor | | 分子名称: | 3C-LIKE PROTEASE, tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate | | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Alliston, K.R, Weerawarna, P.M, Kankanamalage, A.C.G, Lushington, G.H, Chang, K.-O, Groutas, W.C. | | 登録日 | 2015-08-27 | | 公開日 | 2016-02-10 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Oxadiazole-Based Cell Permeable Macrocyclic Transition State Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 59, 2016
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4WDF
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation V321A, complexed with 2',5'-ADP | | 分子名称: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-5'-DIPHOSPHATE | | 著者 | Myllykoski, M, Raasakka, A, Kursula, P. | | 登録日 | 2014-09-08 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
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7RL8
 | | Crystal Structure of C79A Mutant of Class D beta-lactamase from Clostridium difficile 630 | | 分子名称: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION | | 著者 | Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2021-07-23 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal Structure of C79A Mutant of Class D beta-lactamase from Clostridium difficile 630
To Be Published
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7RNJ
 | | S2P6 Fab fragment bound to the SARS-CoV/SARS-CoV-2 spike stem helix peptide | | 分子名称: | Monoclonal antibody S2P6 Fab heavy chain, Monoclonal antibody S2P6 Fab light chain, SULFATE ION, ... | | 著者 | Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M, Sauer, M.M, Veesler, D. | | 登録日 | 2021-07-29 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Broad betacoronavirus neutralization by a stem helix-specific human antibody.
Science, 373, 2021
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5DGS
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4CPD
 | | Alcohol dehydrogenase TADH from Thermus sp. ATN1 | | 分子名称: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | 著者 | Man, H, Gargulio, S, Frank, A, Hollmann, F, Grogan, G. | | 登録日 | 2014-02-05 | | 公開日 | 2014-12-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Structure of the Nadh-Dependent Thermostable Alcohol Dehydrogenase Tadh from Thermus Sp. Atn1 Provides a Platform for Engineering Specificity and Improved Compatibility with Inorganic Cofactor-Regeneration Catalysts
J.Mol.Catal., B Enzym., 105, 2014
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4WE6
 | | The crystal structure of hemagglutinin HA1 domain from influenza virus A/Perth/142/2007(H3N2) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin HA1 chain | | 著者 | Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Villanueva, J.M, Stevens, J. | | 登録日 | 2014-09-09 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | | 主引用文献 | Structure and receptor binding preferences of recombinant human A(H3N2) virus hemagglutinins.
Virology, 477C, 2015
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7RLR
 | | Crystal Structure of K83A Mutant of Class D beta-lactamase from Clostridium difficile 630 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Beta-lactamase, ... | | 著者 | Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2021-07-26 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Crystal Structure of K83A Mutant of Class D beta-lactamase from Clostridium difficile 630
To Be Published
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7RSF
 | | Acetylornithine deacetylase from Escherichia coli | | 分子名称: | Acetylornithine deacetylase, CHLORIDE ION, GLYCEROL, ... | | 著者 | Osipiuk, J, Endres, M, Becker, D.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2021-08-11 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Acetylornithine deacetylase from Escherichia coli
To Be Published
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5CQ5
 | | Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 2,3-Ethylenedioxybenzoic Acid (SGC - Diamond I04-1 fragment screening) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, Bromodomain adjacent to zinc finger domain protein 2B | | 著者 | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-07-21 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.961 Å) | | 主引用文献 | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 2,3-Ethylenedioxybenzoic Acid (SGC - Diamond I04-1 fragment screening)
To be published
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5CR8
 | | Structure of the membrane-binding domain of pneumolysin | | 分子名称: | Pneumolysin | | 著者 | Marshall, J.E, Faraj, B.H.A, Gingras, A.R, Lonnen, R, Sheikh, M.A, El-Mezgueldi, M, Moody, P.C.E, Andrew, P.W, Wallis, R. | | 登録日 | 2015-07-22 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | The Crystal Structure of Pneumolysin at 2.0 angstrom Resolution Reveals the Molecular Packing of the Pre-pore Complex.
Sci Rep, 5, 2015
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7RN0
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5CRZ
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | 分子名称: | 1,2-ETHANEDIOL, 2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | 登録日 | 2015-07-23 | | 公開日 | 2016-01-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
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5XC2
 | | Crystal structure of GH family 81 beta-1,3-glucanase from Rhizomucr miehei complexed with laminarihexaose | | 分子名称: | Endo-beta-1,3-glucanase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ... | | 著者 | Qin, Z, Yang, S, Peng, Z, Yan, Q, Jiang, Z. | | 登録日 | 2017-03-22 | | 公開日 | 2018-03-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Catalytic mechanism of glycoside hydrolase family 81 beta-1,3-glucanase
To Be Published
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5CS6
 | | Crystal Structure of CK2alpha with Compound 3 bound | | 分子名称: | 1-(3-chloro-4-propoxyphenyl)methanamine, ACETATE ION, Casein kinase II subunit alpha, ... | | 著者 | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | 登録日 | 2015-07-23 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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7RT0
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5CTU
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ... | | 著者 | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | | 登録日 | 2015-07-24 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
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5XO2
 | | Crystal structure of human paired immunoglobulin-like type 2 receptor alpha with synthesized glycopeptide II | | 分子名称: | N-acetyl-alpha-neuraminic acid-(2-6)-2-acetamido-2,4-dideoxy-alpha-D-xylo-hexopyranose, Paired immunoglobulin-like type 2 receptor alpha, Peptide from Envelope glycoprotein B | | 著者 | Furukawa, A, Kakita, K, Yamada, T, Ishizuka, M, Sakamoto, J, Hatori, N, Maeda, N, Ohsaka, F, Saitoh, T, Nomura, T, Kuroki, K, Nambu, H, Arase, H, Matsunaga, S, Anada, M, Ose, T, Hashimoto, S, Maenaka, K. | | 登録日 | 2017-05-25 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | | 主引用文献 | Structural and thermodynamic analyses reveal critical features of glycopeptide recognition by the human PILR alpha immune cell receptor.
J. Biol. Chem., 292, 2017
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5CU6
 | | Crystal Structure of CK2alpha | | 分子名称: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha | | 著者 | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | 登録日 | 2015-07-24 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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5CUW
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5CV4
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23D/V66H at cryogenic temperature | | 分子名称: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | 著者 | Theodoru, A, Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B. | | 登録日 | 2015-07-25 | | 公開日 | 2015-08-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23D/V66H at cryogenic temperature
To be Published
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