6HGR
 
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8SKT
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6G34
 | | Crystal structure of haspin in complex with 5-iodotubercidin | | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, IODIDE ION, ... | | 著者 | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-03-24 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6Z88
 | | human GTP cyclohydrolase I in complex with allosteric inhibitor | | 分子名称: | 5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione, GTP cyclohydrolase 1, ZINC ION | | 著者 | Ebenhoch, R, Nar, H. | | 登録日 | 2020-06-02 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.687 Å) | | 主引用文献 | A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6G38
 | | Crystal structure of haspin in complex with tubercidin | | 分子名称: | '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | | 著者 | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-03-24 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6B7K
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6Z8W
 | | X-ray structure of the complex between human alpha thrombin and a thrombin binding aptamer variant (TBA-3G), which contains 1-beta-D-glucopyranosyl residue in the side chain of Thy3 at N3. | | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, Prothrombin, ... | | 著者 | Troisi, R, Timofeev, E.N, Sica, F. | | 登録日 | 2020-06-02 | | 公開日 | 2021-01-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Expanding the recognition interface of the thrombin-binding aptamer HD1 through modification of residues T3 and T12.
Mol Ther Nucleic Acids, 23, 2021
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6HOO
 | | Crystal Structure of Rationally Designed OXA-48loop18 beta-lactamase | | 分子名称: | Beta-lactamase,OXA-48loop18,Beta-lactamase, FLUORIDE ION, GLYCEROL, ... | | 著者 | Zavala, A, Retailleau, P, Dabos, L, Naas, T, Iorga, B. | | 登録日 | 2018-09-17 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Substrate Specificity of OXA-48 after beta 5-beta 6 Loop Replacement.
Acs Infect Dis., 6, 2020
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8AQO
 | | Streptavidin with a bisbiothinilated Fe4S4 cluster | | 分子名称: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[[20-[2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]-2$l^{3},4,12,14$l^{3},16,24,25$l^{3},27$l^{3}-octathia-1$l^{4},3$l^{4},13$l^{4},15$l^{4}-tetraferranonacyclo[11.11.1.1^{1,13}.1^{6,10}.1^{18,22}.0^{2,15}.0^{3,14}.0^{3,25}.0^{15,27}]octacosa-6(28),7,9,18,20,22(26)-hexaen-8-yl]amino]-2-oxidanylidene-ethyl]pentanamide, Streptavidin | | 著者 | Igareta, N.V, Ward, T.R. | | 登録日 | 2022-08-13 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Hydrophobic probe bound to Streptavidin - 1
To Be Published
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8SW9
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6HHB
 | | Structure of iron bound IbpS from Dickeya dadantii | | 分子名称: | ABC-type Fe3+ transport system, periplasmic component, ACETATE ION, ... | | 著者 | Gueguen-Chaignon, V, Condemine, G, Terradot, L. | | 登録日 | 2018-08-27 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.80000341 Å) | | 主引用文献 | A secreted metal-binding protein protects necrotrophic phytopathogens from reactive oxygen species.
Nat Commun, 10, 2019
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8SHY
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6Q2U
 | | Structure of Cytochrome C4 from Pseudomonas aeruginosa | | 分子名称: | Cytochrome c4, HEME C | | 著者 | Carpenter, J.M, Zhong, F, Pletneva, E.V, Ragusa, M.J. | | 登録日 | 2019-08-08 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure and redox properties of the diheme electron carrier cytochrome c4from Pseudomonas aeruginosa.
J.Inorg.Biochem., 203, 2019
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6HI1
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5W53
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6HPD
 | | The structure of a beta-glucuronidase from glycoside hydrolase family 2 | | 分子名称: | BROMIDE ION, Beta-galactosidase (GH2), MAGNESIUM ION | | 著者 | Robb, C.S, Gerlach, N, Reisky, L, Bornshoeru, U, Hehemann, J.H. | | 登録日 | 2018-09-20 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | A marine bacterial enzymatic cascade degrades the algal polysaccharide ulvan.
Nat.Chem.Biol., 15, 2019
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6ZAW
 | | Damage-free NO-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) determined by serial femtosecond rotation crystallography | | 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 (1.3 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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8SHK
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7LY6
 | | Structure of a trans-acting NRPS oxidase, BmdC, involved in bacillamide biosynthesis | | 分子名称: | BmdC, NRPS oxidase, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Fortinez, C.M, Bloudoff, K, Schmeing, T.M. | | 登録日 | 2021-03-05 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Structures and function of a tailoring oxidase in complex with a nonribosomal peptide synthetase module.
Nat Commun, 13, 2022
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8SJ1
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6HPZ
 | | Crystal structure of ENL (MLLT1) in complex with acetyllysine | | 分子名称: | 1,2-ETHANEDIOL, N(6)-ACETYLLYSINE, Protein ENL | | 著者 | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-22 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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6G4G
 | | Full length ectodomain of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) including the SMB domains but with a partially disordered active site structure | | 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, CALCIUM ION, ... | | 著者 | Dohler, C, Zebisch, M, Strater, N. | | 登録日 | 2018-03-27 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystallization of ectonucleotide phosphodiesterase/pyrophosphatase-3 and orientation of the SMB domains in the full-length ectodomain.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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8SJK
 | | Pembrolizumab Caffeine crystal | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY HEAVY CHAIN, ANTIBODY LIGHT CHAIN, ... | | 著者 | Larpent, P, Codan, L, Bothe, J.R, Stueber, D, Reichert, P, Fischmann, T, Su, Y, Pabit, S, Gupta, S, Iuzzolino, L, Cote, A. | | 登録日 | 2023-04-18 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Small-Angle X-ray Scattering as a Powerful Tool for Phase and Crystallinity Assessment of Monoclonal Antibody Crystallites in Support of Batch Crystallization.
Mol Pharm., 21, 2024
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5H81
 | | HETEROYOHIMBINE SYNTHASE THAS2 FROM CATHARANTHUS ROSEUS - COMPLEX WITH NADP+ | | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION, heteroyohimbine synthase THAS2 | | 著者 | Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E. | | 登録日 | 2015-12-23 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
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6Q3F
 | | CDK2 in complex with FragLite2 | | 分子名称: | 4-bromanylpyridin-2-amine, Cyclin-dependent kinase 2 | | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | | 登録日 | 2018-12-04 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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