6Y8N
| Mycobacterium thermoresistibile GyrB21 in complex with Redx03863 | 分子名称: | 1,2-ETHANEDIOL, 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, ... | 著者 | Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A. | 登録日 | 2020-03-05 | 公開日 | 2020-08-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase. J.Antimicrob.Chemother., 75, 2020
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8CPB
| 1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with AMPPNP, and AnhMurNAc at 1.7 Angstroms resolution. | 分子名称: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, GLYCEROL, ... | 著者 | Jimenez-Faraco, E, Hermoso, J.A. | 登録日 | 2023-03-02 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa. J.Biol.Chem., 299, 2023
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4HBW
| Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazoline ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, ... | 著者 | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2012-09-28 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
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6G7M
| Four-site variant (Y222C, C197S, C432S, C433S) of E. coli hydrogenase-2 | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2 large chain, ... | 著者 | Carr, S.B, Armstrong, F.A, Zhang, L, Beaton, S.E. | 登録日 | 2018-04-06 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Direct visible light activation of a surface cysteine-engineered [NiFe]-hydrogenase by silver nanoclusters Energy Environ Sci, 2019
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1RQ7
| MYCOBACTERIUM TUBERCULOSIS FTSZ IN COMPLEX WITH GDP | 分子名称: | Cell division protein ftsZ, GUANOSINE-5'-DIPHOSPHATE | 著者 | Leung, A.K.W, White, E.L, Ross, L.J, Reynolds, R.C, DeVito, J.A, Borhani, D.W. | 登録日 | 2003-12-04 | 公開日 | 2004-08-31 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of Mycobacterium tuberculosis FtsZ reveals unexpected, G protein-like conformational switches. J.Mol.Biol., 342, 2004
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8C54
| Cryo-EM structure of NADH bound SLA dehydrogenase RlGabD from Rhizobium leguminosarum bv. trifolii SRD1565 | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Succinate semialdehyde dehydrogenase | 著者 | Sharma, M, Meek, R.W, Armstrong, Z, Blaza, J.N, Alhifthi, A, Li, J, Goddard-Borger, E.D, Williams, S.J, Davies, G.J. | 登録日 | 2023-01-06 | 公開日 | 2023-09-20 | 最終更新日 | 2024-04-10 | 実験手法 | ELECTRON MICROSCOPY (2.52 Å) | 主引用文献 | Molecular basis of sulfolactate synthesis by sulfolactaldehyde dehydrogenase from Rhizobium leguminosarum. Chem Sci, 14, 2023
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8CP9
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8C3U
| Crystal Structure of human IL-1beta in complex with a low molecular weight antagonist | 分子名称: | (S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid, Interleukin-1 beta | 著者 | Rondeau, J.-M, Lehmann, S, Koch, E. | 登録日 | 2022-12-28 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.945 Å) | 主引用文献 | Discovery of a selective and biologically active low-molecular weight antagonist of human interleukin-1 beta. Nat Commun, 14, 2023
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8C0U
| 1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with their natural substrates and products | 分子名称: | (2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid, 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Jimenez-Faraco, E, Hermoso, J.A. | 登録日 | 2022-12-19 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.112 Å) | 主引用文献 | Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa. J.Biol.Chem., 299, 2023
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5TZL
| Structure of transthyretin in complex with the kinetic stabilizer 201 | 分子名称: | 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol, Transthyretin | 著者 | Connelly, S, Mortenson, D.E, Choi, S, Wilson, I.A, Powers, E.T, Kelly, J.W, Johnson, S.M. | 登録日 | 2016-11-21 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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6FOC
| F1-ATPase from Mycobacterium smegmatis | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ... | 著者 | Zhang, T, Montgomery, M.G, Leslie, A.G.W, Cook, G.M, Walker, J.E. | 登録日 | 2018-02-06 | 公開日 | 2019-01-23 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (4 Å) | 主引用文献 | The structure of the catalytic domain of the ATP synthase fromMycobacterium smegmatisis a target for developing antitubercular drugs. Proc.Natl.Acad.Sci.USA, 116, 2019
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8GM6
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8FEZ
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2O7U
| Crystal structure of K206E/K296E mutant of the N-terminal half molecule of human transferrin | 分子名称: | CARBONATE ION, FE (III) ION, Serotransferrin | 著者 | Baker, H.M, Nurizzo, D, Mason, A.B, Baker, E.N. | 登録日 | 2006-12-11 | 公開日 | 2007-01-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structures of two mutants that probe the role in iron release of the dilysine pair in the N-lobe of human transferrin. Acta Crystallogr.,Sect.D, 63, 2007
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6QOH
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 11 (2-Amino-6-chloropurine) | 分子名称: | 6-chloroguanine, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | 登録日 | 2019-02-12 | 公開日 | 2020-02-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6QOO
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 18 (Isoxazole-5-carbothioamide) | 分子名称: | 1,2-oxazole-5-carbothioamide, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | 登録日 | 2019-02-12 | 公開日 | 2020-02-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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3CXM
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8QYI
| OleP in complex with lithocholic acid in high salt crystallization conditions | 分子名称: | (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, Cytochrome P-450, FORMIC ACID, ... | 著者 | Fata, F, Costanzo, A, Freda, I, Gugole, E, Bulfaro, G, Barbizzi, L, Di Renzo, M, Savino, C, Vallone, B, Montemiglio, L.C. | 登録日 | 2023-10-26 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | OleP in complex with lithocolic acid in high salt crystallization conditions To Be Published
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6QOU
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 24 (Indole-6-boronic acid) | 分子名称: | 1~{H}-indol-6-ylboronic acid, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | 登録日 | 2019-02-12 | 公開日 | 2020-02-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6ZDV
| Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 5d | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | 著者 | Verdon, G, Jespers, W, Azuaje, J, Majellaro, M, Keranen, H, Garcia-mera, X, Congreve, M, Deflorian, F, de Graaf, C, Zhukov, A, Dore, A, Mason, J, Aqvist, J, Cooke, R, Sotelo, E, Gutierrez-de-Teran, H. | 登録日 | 2020-06-15 | 公開日 | 2020-09-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists. Angew.Chem.Int.Ed.Engl., 59, 2020
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8GM7
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6ZHK
| Crystal structure of adenosylmethionine-8-amino-7-oxononanoate aminotransferase from Methanocaldococcus jannaschii DSM 2661 | 分子名称: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, MAGNESIUM ION | 著者 | Boyko, K.M, Nikolaeva, T.N, Stekhanova, T.N, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O. | 登録日 | 2020-06-23 | 公開日 | 2020-07-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Three-Dimensional Structure of Thermostable D-Amino Acid Transaminase from the Archaeon Methanocaldococcus jannaschii DSM 2661 Crystallography Reports, 2021
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8PI5
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6QOG
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 10 (2-Amino-5-bromobenzothiazole) | 分子名称: | 5-bromanyl-1,3-benzothiazol-2-amine, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | 登録日 | 2019-02-12 | 公開日 | 2020-02-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6QRE
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | 分子名称: | (3-methoxyphenyl)methyl 1~{H}-pyrazole-4-carboxylate, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | 登録日 | 2019-02-19 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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