5DNU
 
 | | Crystal structure of Striga KAI2-like protein in complex with karrikin | | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-2H-furo[2,3-c]pyran-2-one, BENZOIC ACID, ... | | 著者 | Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M. | | 登録日 | 2015-09-10 | | 公開日 | 2016-08-17 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structural basis of unique ligand specificity of KAI2-like protein from parasitic weed Striga hermonthica
Sci Rep, 6, 2016
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6DDZ
 | | Crystal structure of the double mutant (D52N/R238W) of NT5C2-537X in the active state, Northeast Structural Genomics Target | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Cytosolic purine 5'-nucleotidase, GLYCEROL, ... | | 著者 | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2018-05-10 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
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6DE8
 | | Crystal Structure of Bifunctional Enzyme FolD-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase from Campylobacter jejuni | | 分子名称: | Bifunctional protein FolD, CHLORIDE ION, GLYCEROL, ... | | 著者 | Kim, Y, Makowska-Grzyska, M, Zhang, R, Peterson, S.N, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2018-05-11 | | 公開日 | 2018-05-30 | | 最終更新日 | 2019-12-18 | | 実験手法 | X-RAY DIFFRACTION (2.104 Å) | | 主引用文献 | Crystal Structure of Bifunctional Enzyme FolD-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase from Campylobacter jejuni
To Be Published
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5E3G
 | | Crystal structure of the human BRPF1 bromodomain in complex with SEED8 | | 分子名称: | 2-thioxo-2,3,7,9-tetrahydro-1H-purine-6,8-dione, NITRATE ION, Peregrin | | 著者 | Zhu, J, Caflisch, A. | | 登録日 | 2015-10-02 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
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5DT4
 | | Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | | 分子名称: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | | 登録日 | 2015-09-17 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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6DXI
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6DXR
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5E4A
 | | Human transthyretin (TTR) complexed with (2,7-Dichloro-fluoren-9-ylideneaminooxy)-acetic acid. | | 分子名称: | Transthyretin, {[(2,7-dichloro-9H-fluoren-9-ylidene)amino]oxy}acetic acid | | 著者 | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | | 登録日 | 2015-10-05 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Synthesis and structural analysis of halogen substituted fibril formation inhibitors of Human Transthyretin (TTR).
J Enzyme Inhib Med Chem, 31, 2016
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5E4X
 | | Crystal structure of cpSRP43 chromodomain 3 | | 分子名称: | MAGNESIUM ION, Signal recognition particle 43 kDa protein, chloroplastic | | 著者 | Horn, A, Ahmed, Y.L, Wild, K, Sinning, I. | | 登録日 | 2015-10-07 | | 公開日 | 2015-12-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structural basis for cpSRP43 chromodomain selectivity and dynamics in Alb3 insertase interaction.
Nat Commun, 6, 2015
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6DII
 | | Structure of Arabidopsis Fatty Acid Amide Hydrolase in Complex with methyl linolenyl fluorophosphonate | | 分子名称: | Fatty acid amide hydrolase, methyl-9Z,12Z,15Z-octadecatrienylphosphonofluoridate | | 著者 | Aziz, M, Wang, X, Tripathi, A, Bankaitis, V, Chapman, K.D. | | 登録日 | 2018-05-23 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural analysis of a plant fatty acid amide hydrolase provides insights into the evolutionary diversity of bioactive acylethanolamides.
J.Biol.Chem., 294, 2019
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5E7F
 | | Complex between lactococcal phage Tuc2009 RBP head domain and a nanobody (L06) | | 分子名称: | Major structural protein 1, nanobody L06 | | 著者 | Legrand, P, Collins, B, Blangy, S, Murphy, J, Spinelli, S, Gutierrez, C, Richet, N, Kellenberger, C, Desmyter, A, Mahony, J, van Sinderen, D, Cambillau, C. | | 登録日 | 2015-10-12 | | 公開日 | 2015-12-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The Atomic Structure of the Phage Tuc2009 Baseplate Tripod Suggests that Host Recognition Involves Two Different Carbohydrate Binding Modules.
Mbio, 7, 2016
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6D6X
 | | HSP40 co-chaperone Sis1 J-domain | | 分子名称: | Type II HSP40 co-chaperone | | 著者 | Pinheiro, G.M.S, Amorim, G.C, Iqbal, A, Ramos, C.H.I, Almeida, F.C.L. | | 登録日 | 2018-04-23 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution NMR investigation on the structure and function of the isolated J-domain from Sis1: Evidence of transient inter-domain interactions in the full-length protein.
Arch.Biochem.Biophys., 669, 2019
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5E7Q
 | | Acyl-CoA synthetase PtmA2 from Streptomyces platensis | | 分子名称: | GLYCEROL, SULFATE ION, acyl-CoA synthetase | | 著者 | Osipiuk, J, Cuff, M.E, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J, Ma, M, Chang, C.Y, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2015-10-12 | | 公開日 | 2015-10-21 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
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5E8N
 | | The structure of the TEIPP associated Trh4 peptide in complex with H-2D(b) | | 分子名称: | Beta-2-microglobulin, Ceramide synthase 5, GLYCEROL, ... | | 著者 | Hafstrand, I, Doorduijn, E, Duru, A.D, Buratto, J, Oliveira, C.C, Sandalova, T, van Hall, T, Achour, A. | | 登録日 | 2015-10-14 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer.
J Immunol., 196, 2016
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5E7T
 | | Structure of the tripod (BppUct-A-L) from the baseplate of bacteriophage Tuc2009 | | 分子名称: | CALCIUM ION, Major structural protein 1, Minor structural protein 4, ... | | 著者 | Legrand, P, Collins, B, Blangy, S, Murphy, J, Spinelli, S, Gutierrez, C, Richet, N, Kellenberger, C, Desmyter, A, Mahony, J, van Sinderen, D, Cambillau, C. | | 登録日 | 2015-10-13 | | 公開日 | 2015-12-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | The Atomic Structure of the Phage Tuc2009 Baseplate Tripod Suggests that Host Recognition Involves Two Different Carbohydrate Binding Modules.
Mbio, 7, 2016
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6D4Q
 | | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 14 (VCC900455) | | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone | | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | | 登録日 | 2018-04-18 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
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6D54
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5E9Y
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5EAP
 | | Crystal structure of human WDR5 in complex with compound 9e | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | 登録日 | 2015-10-16 | | 公開日 | 2015-11-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
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8I67
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 2,4-Thiazolidinedione, Form I | | 分子名称: | 1,2-ETHANEDIOL, 1,3-thiazolidine-2,4-dione, Uracil-DNA glycosylase | | 著者 | Raj, P, Paul, A, Gopal, B. | | 登録日 | 2023-01-27 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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8I61
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid and Citric acid, Form I | | 分子名称: | 1,2-ETHANEDIOL, BARBITURIC ACID, CITRIC ACID, ... | | 著者 | Raj, P, Paul, A, Gopal, B. | | 登録日 | 2023-01-27 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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8I69
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Fluoroorotic acid and Citric acid, Form I | | 分子名称: | 1,2-ETHANEDIOL, 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CITRIC ACID, ... | | 著者 | Raj, P, Paul, A, Gopal, B. | | 登録日 | 2023-01-27 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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8I6B
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form I | | 分子名称: | 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, CHLORIDE ION, ... | | 著者 | Raj, P, Paul, A, Gopal, B. | | 登録日 | 2023-01-27 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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8I63
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form III | | 分子名称: | 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase | | 著者 | Raj, P, Paul, A, Gopal, B. | | 登録日 | 2023-01-27 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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8I62
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form I | | 分子名称: | 1,2-ETHANEDIOL, BARBITURIC ACID, CHLORIDE ION, ... | | 著者 | Raj, P, Paul, A, Gopal, B. | | 登録日 | 2023-01-27 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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