6O2B
 
 | | Crystal structure of 4493 Fab in complex with circumsporozoite protein DND and anti-kappa VHH domain | | 分子名称: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | | 著者 | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | | 登録日 | 2019-02-22 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
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8ILR
 | | Cryo-EM structure of PI3Kalpha in complex with compound 16 | | 分子名称: | N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | 登録日 | 2023-03-04 | | 公開日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | | 主引用文献 | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8AWK
 | | Structure of recombinant human beta-glucocerebrosidase in complex with D-carbaxylosyl chloride | | 分子名称: | (2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rowland, R.J, Davies, G.J. | | 登録日 | 2022-08-30 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
To be published
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6QSX
 | | Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol. | | 分子名称: | Complement factor B, SULFATE ION, ZINC ION, ... | | 著者 | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | | 登録日 | 2019-02-22 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
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3EOF
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8Q7K
 | | IRGQ LIR2 peptide in complex with LC3B | | 分子名称: | 1,2-ETHANEDIOL, Immunity-related GTPase family Q protein, Microtubule-associated proteins 1A/1B light chain 3B | | 著者 | Misra, M, Bailey, H.J, Pomirska, J, Dikic, I. | | 登録日 | 2023-08-16 | | 公開日 | 2024-08-28 | | 最終更新日 | 2025-03-19 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | IRGQ-mediated autophagy in MHC class I quality control promotes tumor immune evasion.
Cell, 187, 2024
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4CRD
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | 分子名称: | COAGULATION FACTOR XI, Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate, SULFATE ION | | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | 登録日 | 2014-02-26 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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7LXT
 | | Structure of Plasmodium falciparum 20S proteasome with bound bortezomib | | 分子名称: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | | 著者 | Morton, C.J, Metcalfe, R.D, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | | 登録日 | 2021-03-05 | | 公開日 | 2021-09-22 | | 最終更新日 | 2025-06-04 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6R09
 | | T. cruzi FPPS in complex with 2-(4-((1H-indol-3-yl)methyl)piperazin-1-yl)benzo[d]thiazole | | 分子名称: | 2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole, Farnesyl diphosphate synthase, SULFATE ION, ... | | 著者 | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | | 登録日 | 2019-03-12 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
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6R0A
 | | T. cruzi FPPS in complex with 3-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol | | 分子名称: | 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, ACETATE ION, Farnesyl diphosphate synthase, ... | | 著者 | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | | 登録日 | 2019-03-12 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
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7UFL
 | | Crystal structure of chimeric omicron RBD (strain BA.2) complexed with chimeric mouse ACE2 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhang, W, Shi, K, Geng, Q, Ye, G, Aihara, H, Li, F. | | 登録日 | 2022-03-22 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Structural basis for mouse receptor recognition by SARS-CoV-2 omicron variant.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5G0I
 | | Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker cleaved) in complex with Nexturastat A | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, HDAC6, ... | | 著者 | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | | 登録日 | 2016-03-18 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
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5FDA
 | | The high resolution structure of apo form dihydrofolate reductase from Yersinia pestis at 1.55 A | | 分子名称: | CHLORIDE ION, Dihydrofolate reductase | | 著者 | Chang, C, Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2015-12-15 | | 公開日 | 2015-12-30 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.549 Å) | | 主引用文献 | structure of dihydrofolate reductase from Yersinia pestis complex with
To Be Published
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5LWM
 | | Crystal structure of JAK3 in complex with Compound 4 (FM381) | | 分子名称: | 1,2-ETHANEDIOL, 1-phenylurea, 2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{N},~{N}-dimethyl-prop-2-enamide, ... | | 著者 | Chaikuad, A, Forster, M, Mukhopadhyay, S, Kupinska, K, Ellis, K, Mahajan, P, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2016-09-18 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket.
Cell Chem Biol, 23, 2016
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4ZG4
 | | Myosin Vc Pre-powerstroke | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Ropars, V, Pylypenko, O, Sweeney, L, Houdusse, A. | | 登録日 | 2015-04-22 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Force-producing ADP state of myosin bound to actin.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3GBE
 | | Crystal structure of the isomaltulose synthase SmuA from Protaminobacter rubrum in complex with the inhibitor deoxynojirimycin | | 分子名称: | 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, CITRATE ANION, ... | | 著者 | Ravaud, S, Robert, X, Haser, R, Aghajari, N. | | 登録日 | 2009-02-19 | | 公開日 | 2009-05-26 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural determinants of product specificity of sucrose isomerases
Febs Lett., 583, 2009
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6HWF
 | | Yeast 20S proteasome beta2-G45A mutant in complex with ONX 0914 | | 分子名称: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Huber, E.M, Groll, M. | | 登録日 | 2018-10-11 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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5OT6
 | | The crystal structure of CK2alpha in complex with compound 19 | | 分子名称: | (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium, ACETATE ION, Casein kinase II subunit alpha, ... | | 著者 | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2017-08-21 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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5OTL
 | | The crystal structure of CK2alpha in complex with compound 29 | | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2017-08-22 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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4NOZ
 | | Crystal Structure of an Organic Hydroperoxide Resistance Protein from Burkholderia cenocepacia | | 分子名称: | 1,2-ETHANEDIOL, Organic hydroperoxide resistance protein | | 著者 | Dranow, D.M, Lukacs, C.M, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2013-11-20 | | 公開日 | 2013-12-04 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Crystal Structure of an Organic Hydroperoxide Resistance Protein from Burkholderia cenocepacia
TO BE PUBLISHED
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7XEJ
 | | SufS with D-cysteine for 5 min | | 分子名称: | (2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid, 1,2-ETHANEDIOL, Cysteine desulfurase SufS, ... | | 著者 | Nakamiura, R, Fujishiro, T. | | 登録日 | 2022-03-31 | | 公開日 | 2023-04-05 | | 最終更新日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Visualizing thiazolidine ring formation in the reaction of D-cysteine and pyridoxal-5'-phosphate within L-cysteine desulfurase SufS.
Biochem.Biophys.Res.Commun., 754, 2025
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8DE9
 | | Cryo-EM structure of the zebrafish two pore domain K+ channel TREK1 (K2P2.1) in DDM/POPE mixed micelles | | 分子名称: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, POTASSIUM ION, Potassium channel, ... | | 著者 | Schmidpeter, P.A.M, Nimigean, C.M, Riegelhaupt, P.M. | | 登録日 | 2022-06-20 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Membrane phospholipids control gating of the mechanosensitive potassium leak channel TREK1.
Nat Commun, 14, 2023
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5G1C
 | | Structure of HDAC like protein from Bordetella Alcaligenes bound the photoswitchable pyrazole Inhibitor CEW395 | | 分子名称: | (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | | 著者 | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | | 登録日 | 2016-03-24 | | 公開日 | 2016-11-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors.
ACS Infect Dis, 3, 2017
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7XGD
 | | Cryo-EM structure of Apo-IGF1R map 1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin-like growth factor 1 receptor | | 著者 | Zhang, X, Wu, C. | | 登録日 | 2022-04-04 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Cryo-EM structure of Apo-IGF1R
To Be Published
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6HCA
 | | STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S1J) IN COMPLEX WITH POSITIVE ALLOSTERIC MODULATOR TDPAM02 AT 1.8 A RESOLUTION | | 分子名称: | 6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Laulumaa, S, Hansen, K.V, Frydenvang, K, Kastrup, J.S. | | 登録日 | 2018-08-14 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.882 Å) | | 主引用文献 | Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
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