7ECR
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![BU of 7ecr by Molmil](/molmil-images/mine/7ecr) | Crystal Structure of Aspergillus terreus Glutamate Dehydrogenase (AtGDH) Complexed With Succinate and ADP-ribose | 分子名称: | GLYCEROL, Glutamate dehydrogenase, SUCCINIC ACID, ... | 著者 | Godsora, B.K.J, Prakash, P, Punekar, N.S, Bhaumik, P. | 登録日 | 2021-03-13 | 公開日 | 2021-12-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites. Proteins, 90, 2022
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6M81
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![BU of 6m81 by Molmil](/molmil-images/mine/6m81) | Crystal structure of TylM1 Y14F bound to SAH and dTDP-phenol | 分子名称: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, S-ADENOSYL-L-HOMOCYSTEINE, dTDP-3-amino-3,6-dideoxy-alpha-D-glucopyranose N,N-dimethyltransferase | 著者 | Fick, R.J, McDole, B.G, Trievel, R.C. | 登録日 | 2018-08-21 | 公開日 | 2019-03-13 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.782 Å) | 主引用文献 | Structural and Functional Characterization of Sulfonium Carbon-Oxygen Hydrogen Bonding in the Deoxyamino Sugar Methyltransferase TylM1. Biochemistry, 58, 2019
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7K5V
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![BU of 7k5v by Molmil](/molmil-images/mine/7k5v) | OXA-48 bound by Compound 3.1 | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | 登録日 | 2020-09-17 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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6U8O
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5KPO
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![BU of 5kpo by Molmil](/molmil-images/mine/5kpo) | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | 分子名称: | 1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | 著者 | Cao, R, Wang, Y.L, Zhou, J, Yao, H.P, Huang, N, Xu, B.L. | 登録日 | 2016-07-05 | 公開日 | 2016-12-21 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor To Be Published
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6EKP
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![BU of 6ekp by Molmil](/molmil-images/mine/6ekp) | Tryptophan Repressor TrpR from E.coli variant T44L T81M S88Y with Indole-3-acetic acid as ligand | 分子名称: | 1H-INDOL-3-YLACETIC ACID, 3,6,9,12,15-PENTAOXAHEPTADECANE, Trp operon repressor | 著者 | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | 登録日 | 2017-09-26 | 公開日 | 2019-01-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | A biosensor for the direct visualization of auxin Nature, 2021
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5E6B
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![BU of 5e6b by Molmil](/molmil-images/mine/5e6b) | Glucocorticoid receptor DNA binding domain - RELB NF-kB response element complex | 分子名称: | DNA (5'-D(*CP*CP*GP*GP*GP*GP*AP*AP*TP*TP*CP*CP*GP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*CP*GP*GP*AP*AP*TP*TP*CP*CP*CP*CP*GP*G)-3'), Glucocorticoid receptor, ... | 著者 | Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A. | 登録日 | 2015-10-09 | 公開日 | 2017-02-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements. Nat Commun, 9, 2018
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5KYC
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5E8P
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![BU of 5e8p by Molmil](/molmil-images/mine/5e8p) | The structure of the TEIPP associated altered peptide ligand Trh4-p5NLE in complex with H-2D(b) | 分子名称: | Beta-2-microglobulin, Ceramide synthase 5, H-2 class I histocompatibility antigen, ... | 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 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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5ZZ1
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![BU of 5zz1 by Molmil](/molmil-images/mine/5zz1) | Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum | 分子名称: | 3-AMINO-1,2,4-TRIAZOLE, CALCIUM ION, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | 著者 | Yuzugullu Karakus, Y, Trinh, C.H, Pearson, A.R, Ogel, Z.B, McPherson, M.J. | 登録日 | 2018-05-29 | 公開日 | 2019-05-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Identification of the site of oxidase substrate binding in Scytalidium thermophilum catalase. Acta Crystallogr D Struct Biol, 74, 2018
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6UIG
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5I9B
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![BU of 5i9b by Molmil](/molmil-images/mine/5i9b) | Caspase 3 V266A | 分子名称: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | 著者 | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | 登録日 | 2016-02-19 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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6LW2
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![BU of 6lw2 by Molmil](/molmil-images/mine/6lw2) | The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase | 分子名称: | 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1 | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | 登録日 | 2020-02-07 | 公開日 | 2020-05-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis. J.Med.Chem., 63, 2020
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8P3D
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5IBC
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![BU of 5ibc by Molmil](/molmil-images/mine/5ibc) | Caspase 3 V266I | 分子名称: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | 著者 | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | 登録日 | 2016-02-22 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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7KMG
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![BU of 7kmg by Molmil](/molmil-images/mine/7kmg) | LY-CoV555 neutralizing antibody against SARS-CoV-2 | 分子名称: | GLYCEROL, LY-CoV555 Fab heavy chain, LY-CoV555 Fab light chain, ... | 著者 | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | 登録日 | 2020-11-02 | 公開日 | 2021-01-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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1P8K
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5IBN
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5KW9
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5DUY
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![BU of 5duy by Molmil](/molmil-images/mine/5duy) | Structure of lectin from the sea mussel Crenomytilus grayanus | 分子名称: | GLYCEROL, GalNAc/Gal-specific lectin | 著者 | Lubkowski, J, Jakob, M, O'Keefe, B, Wlodawer, A. | 登録日 | 2015-09-21 | 公開日 | 2015-11-11 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Structure of a lectin from the sea mussel Crenomytilus grayanus (CGL). Acta Crystallogr.,Sect.F, 71, 2015
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8P42
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![BU of 8p42 by Molmil](/molmil-images/mine/8p42) | Full length structure of TcMIP with bound inhibitor NJS227. | 分子名称: | (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Macrophage infectivity potentiator | 著者 | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | 登録日 | 2023-05-19 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains To Be Published
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5IBP
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![BU of 5ibp by Molmil](/molmil-images/mine/5ibp) | Caspase 3 V266M | 分子名称: | ACE-ASP-GLU-VAL-ASK, AZIDE ION, Caspase-3 | 著者 | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | 登録日 | 2016-02-22 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IFR
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![BU of 5ifr by Molmil](/molmil-images/mine/5ifr) | Structure of the stable UBE2D3-UbDha conjugate | 分子名称: | GLYCEROL, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D3 | 著者 | Pruneda, J.N, Mulder, M.P.C, Witting, K, Ovaa, H, Komander, D. | 登録日 | 2016-02-26 | 公開日 | 2016-05-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A cascading activity-based probe sequentially targets E1-E2-E3 ubiquitin enzymes. Nat.Chem.Biol., 12, 2016
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4WLI
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![BU of 4wli by Molmil](/molmil-images/mine/4wli) | Stationary Phase Survival Protein YuiC from B.subtilis | 分子名称: | 1,2-ETHANEDIOL, YuiC | 著者 | Quay, D.H.X, Cole, A.R, Cryar, A, Thalassinos, K, Williams, M.A, Bhakta, S, Keep, N.H. | 登録日 | 2014-10-07 | 公開日 | 2015-07-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structure of the stationary phase survival protein YuiC from B.subtilis. Bmc Struct.Biol., 15, 2015
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8F7H
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![BU of 8f7h by Molmil](/molmil-images/mine/8f7h) | The condensation domain of surfactin A synthetase C variant 18b in space group P212121 | 分子名称: | GLYCEROL, Surfactin synthetase | 著者 | Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M. | 登録日 | 2022-11-18 | 公開日 | 2023-11-22 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | High-throughput reprogramming of an NRPS condensation domain. Nat.Chem.Biol., 20, 2024
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