5C7A
 
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 7 | | 分子名称: | (2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | 登録日 | 2015-06-24 | | 公開日 | 2015-08-12 | | 最終更新日 | 2015-09-09 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5FZ6
 | | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment N05859b (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-CARBOXYPIPERIDINE, ... | | 著者 | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | 登録日 | 2016-03-11 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment N05859B (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
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7L1U
 | | Orexin Receptor 2 (OX2R) in Complex with G Protein and Natural Peptide-Agonist Orexin B (OxB) | | 分子名称: | Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | | 登録日 | 2020-12-15 | | 公開日 | 2021-02-10 | | 最終更新日 | 2021-02-17 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
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6FUY
 | | Crystal structure of human full-length vinculin-T12-A974K (residues 1-1066) | | 分子名称: | CALCIUM ION, Vinculin | | 著者 | Chorev, D.S, Volberg, T, Livne, A, Eisenstein, M, Martins, B, Kam, Z, Jockusch, B.M, Medalia, O, Sharon, M, Geiger, B. | | 登録日 | 2018-02-28 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Conformational states during vinculin unlocking differentially regulate focal adhesion properties.
Sci Rep, 8, 2018
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7L1V
 | | Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1 | | 分子名称: | 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide, Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | | 登録日 | 2020-12-15 | | 公開日 | 2021-02-10 | | 最終更新日 | 2021-02-17 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
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5ME8
 | | N-terminal domain of the human tumor suppressor ING5 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Inhibitor of growth protein 5 | | 著者 | Roversi, P, Blanco, F.J, Rojas, A.L, Buitrago, J.A.R. | | 登録日 | 2016-11-14 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | The Tumor Suppressor ING5 Is a Dimeric, Bivalent Recognition Molecule of the Histone H3K4me3 Mark.
J.Mol.Biol., 431, 2019
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6SP2
 | | CryoEM structure of SERINC from Drosophila melanogaster | | 分子名称: | CARDIOLIPIN, Lauryl Maltose Neopentyl Glycol, Membrane protein TMS1d, ... | | 著者 | Pye, V.E, Nans, A, Cherepanov, P. | | 登録日 | 2019-08-30 | | 公開日 | 2020-01-01 | | 最終更新日 | 2022-03-30 | | 実験手法 | ELECTRON MICROSCOPY (3.33 Å) | | 主引用文献 | A bipartite structural organization defines the SERINC family of HIV-1 restriction factors.
Nat.Struct.Mol.Biol., 27, 2020
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6SJA
 | | Structure of HPV16 E6 oncoprotein in complex with IRF3 LxxLL motif | | 分子名称: | Maltose/maltodextrin-binding periplasmic protein,Interferon regulatory factor 3, Protein E6, ZINC ION, ... | | 著者 | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Mitschler, A, Podjarny, A, Trave, G. | | 登録日 | 2019-08-13 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Deciphering de molecular and structural interaction between IRF3 and HPV16 E6
To be published
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8U4V
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6SK1
 | | Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with coenzyme A | | 分子名称: | ACETATE ION, COENZYME A, L-2,4-diaminobutyric acid acetyltransferase | | 著者 | Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J. | | 登録日 | 2019-08-14 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine.
J.Biol.Chem., 295, 2020
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6PBR
 | | Catalytic domain of E.coli dihydrolipoamide succinyltransferase in I4 space group | | 分子名称: | Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, SODIUM ION | | 著者 | Andi, B, Soares, A.S, Shi, W, Fuchs, M.R, McSweeney, S, Liu, Q. | | 登録日 | 2019-06-14 | | 公開日 | 2019-06-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure of the dihydrolipoamide succinyltransferase catalytic domain from Escherichia coli in a novel crystal form: a tale of a common protein crystallization contaminant.
Acta Crystallogr.,Sect.F, 75, 2019
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5MUK
 | | Glycoside Hydrolase BT3686 | | 分子名称: | Neuraminidase | | 著者 | Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J. | | 登録日 | 2017-01-13 | | 公開日 | 2017-04-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Unusual active site location and catalytic apparatus in a glycoside hydrolase family.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5C9L
 | | Crystal structure of native PLL lectin from Photorhabdus luminescens at 1.65 A resolution | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Kumar, A, Sykorova, P, Demo, G, Dobes, P, Hyrsl, P, Wimmerova, M. | | 登録日 | 2015-06-27 | | 公開日 | 2016-10-19 | | 最終更新日 | 2018-03-07 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | A Novel Fucose-binding Lectin from Photorhabdus luminescens (PLL) with an Unusual Heptabladed beta-Propeller Tetrameric Structure.
J.Biol.Chem., 291, 2016
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7KQ2
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5MFL
 | | Designed armadillo repeat protein (KR)5_GS10_YIIIM6AII | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, (KR)5_GS10_YIIIM6AII, 1,2-ETHANEDIOL, ... | | 著者 | Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A. | | 登録日 | 2016-11-18 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Curvature of designed armadillo repeat proteins allows modular peptide binding.
J. Struct. Biol., 201, 2018
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6PJJ
 | | Human PRPF4B bound to benzothiophene inhibitor 224 | | 分子名称: | 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, PHOSPHATE ION, ... | | 著者 | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | 登録日 | 2019-06-28 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | to be published
To Be Published
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8F10
 | | Structure of the MDM2 P53 binding domain in complex with H102, an all-D Helicon Polypeptide | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, ... | | 著者 | Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H. | | 登録日 | 2022-11-04 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
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5MFW
 | | Crystal structure of the GluK1 ligand-binding domain in complex with kainate and BPAM-121 at 2.10 A resolution | | 分子名称: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, ... | | 著者 | Larsen, A.P, Frydenvang, K, Kastrup, J.S. | | 登録日 | 2016-11-18 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Identification and Structure-Function Study of Positive Allosteric Modulators of Kainate Receptors.
Mol. Pharmacol., 91, 2017
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6SRK
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8F0Z
 | | Structure of the MDM2 P53 binding domain in complex with H101, an all-D Helicon Polypeptide | | 分子名称: | CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, H101, ... | | 著者 | Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H. | | 登録日 | 2022-11-04 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
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5FYP
 | | Calcium-dependent phosphoinositol-specific phospholipase C from a Gram-negative bacterium, Pseudomonas sp, apo form, crystal form 2 | | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, PHOSPHOINOSITOL-SPECIFIC PHOSPHOLIPASE C, ... | | 著者 | Moroz, O.V, Blagova, E, Lebedev, A.A, Norgaard, A, Segura, D.R, Blicher, T.H, Wilson, K.S. | | 登録日 | 2016-03-09 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | The structure of a calcium-dependent phosphoinositide-specific phospholipase C from Pseudomonas sp. 62186, the first from a Gram-negative bacterium.
Acta Crystallogr D Struct Biol, 73, 2017
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6SRR
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5BWJ
 | | Structural characterization and modeling of the Borrelia burgdorferi hybrid histidine kinase Hk1 periplasmic sensor | | 分子名称: | MAGNESIUM ION, NITRATE ION, Sensory transduction histidine kinase, ... | | 著者 | Bauer, W.J, Luthra, A, Zhu, G, Radolf, J.D, Malkowski, M.G, Caimano, M.J. | | 登録日 | 2015-06-08 | | 公開日 | 2015-07-29 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.054 Å) | | 主引用文献 | Structural characterization and modeling of the Borrelia burgdorferi hybrid histidine kinase Hk1 periplasmic sensor: A system for sensing small molecules associated with tick feeding.
J.Struct.Biol., 192, 2015
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5BX4
 | | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with Glucoimidazole | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, GLUCOIMIDAZOLE, ... | | 著者 | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tankrathok, A, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | | 登録日 | 2015-06-08 | | 公開日 | 2016-05-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2)
Acs Chem.Biol., 11, 2016
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8F14
 | | Structure of the STUB1 TPR domain in complex with H201, an all-D Helicon Polypeptide | | 分子名称: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, N,N'-(1,4-phenylene)diacetamide, ... | | 著者 | Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H. | | 登録日 | 2022-11-04 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
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