7CET
 
 | | Crystal structure of D-cycloserine-bound form of cysteine desulfurase NifS from Helicobacter pylori | | 分子名称: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, CHLORIDE ION, Cysteine desulfurase IscS, ... | | 著者 | Nakamura, R, Takahashi, Y, Fujishiro, T. | | 登録日 | 2020-06-24 | | 公開日 | 2021-06-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
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3P4L
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5C7B
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 5 | | 分子名称: | (2R)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-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 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.68 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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4QNP
 | | Crystal structure of the 2009 pandemic H1N1 influenza virus neuraminidase with a neutralizing antibody | | 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 | Wan, H.Q, Yang, H, Shore, D.A, Garten, R.J, Couzens, L, Gao, J, Jiang, L.L, Carney, P.J, Villanueva, J, Stevens, J, Eichelberger, M.C. | | 登録日 | 2014-06-18 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural characterization of a protective epitope spanning A(H1N1)pdm09 influenza virus neuraminidase monomers.
Nat Commun, 6, 2015
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3HFW
 | | Crystal Structure of human ADP-ribosylhydrolase 1 (hARH1) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Mueller-Dieckmann, C, Weiss, M.S, Mueller-Dieckmann, J, Koch-Nolte, F. | | 登録日 | 2009-05-13 | | 公開日 | 2010-05-26 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Crystal Structure of human ADP-ribosylhydrolase 1
To be Published
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6PAI
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1PSH
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5CM1
 | | X-ray structure of perdeuterated TTR mutant - T119M at 1.22A | | 分子名称: | Transthyretin | | 著者 | Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T. | | 登録日 | 2015-07-16 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | X-ray structure of perdeuterated TTR mutant - T119M at 1.22A
To Be Published
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7CEU
 | | Crystal structure of L-cycloserine-bound form of cysteine desulfurase NifS from Helicobacter pylori | | 分子名称: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Cysteine desulfurase IscS, ISOPROPYL ALCOHOL | | 著者 | Nakamura, R, Takahashi, Y, Fujishiro, T. | | 登録日 | 2020-06-24 | | 公開日 | 2021-06-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
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6ABZ
 | | Crystal Structure of HEWL in deionized water | | 分子名称: | CHLORIDE ION, Lysozyme C, S-1,2-PROPANEDIOL, ... | | 著者 | Seyedarabi, A, Seraj, Z. | | 登録日 | 2018-07-24 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The role of Cinnamaldehyde and Phenyl ethyl alcohol as two types of precipitants affecting protein hydration levels.
Int.J.Biol.Macromol., 146, 2019
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5CAN
 | | EGFR kinase domain mutant "TMLR" with compound 27 | | 分子名称: | (3R)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION | | 著者 | Eigenbrot, C, Yu, C. | | 登録日 | 2015-06-29 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
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4QBB
 | | Structure of the foot-and-mouth disease virus leader proteinase in complex with inhibitor (N~2~-[(3S)-4-({(2R)-1-[(4-CARBAMIMIDAMIDOBUTYL)AMINO]-4-METHYL-1-OXOPENTAN-2-YL}AMINO)-3-HYDROXY-4-OXOBUTANOYL]-L-ARGINYL-L-PROLINAMIDE) | | 分子名称: | Leader protease, N~2~-[(3S)-4-({(2R)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide, PHOSPHATE ION, ... | | 著者 | Grishkovskaya, I, Steinberger, J, Cencic, R, Juliano, M.A, Juliano, L, Skern, T. | | 登録日 | 2014-05-07 | | 公開日 | 2014-11-05 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Foot-and-mouth disease virus leader proteinase: Structural insights into the mechanism of intermolecular cleavage.
Virology, 468-470C, 2014
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5JMS
 | | Crystal structure of TgCDPK1 bound to CGP060476 | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Calmodulin-domain protein kinase 1, ... | | 著者 | El Bakkouri, M, Walker, J.R, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | | 登録日 | 2016-04-29 | | 公開日 | 2016-05-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of TgCDPK1bount to CGP060476
To Be Published
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3HE8
 | | Structural study of Clostridium thermocellum Ribose-5-Phosphate Isomerase B | | 分子名称: | GLYCEROL, Ribose-5-phosphate isomerase | | 著者 | Kang, L.W, Kim, J.K, Jung, J.H, Hong, M.K. | | 登録日 | 2009-05-08 | | 公開日 | 2009-11-10 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of Clostridium thermocellum ribose-5-phosphate isomerase B reveals properties critical for fast enzyme kinetics.
Appl.Microbiol.Biotechnol., 90, 2011
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6X96
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5IUX
 | | GLIC-V135C bimane labelled X-ray structure | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione, ACETATE ION, ... | | 著者 | Fourati, Z, Menny, A, Delarue, M. | | 登録日 | 2016-03-18 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Identification of a pre-active conformation of a pentameric channel receptor.
Elife, 6, 2017
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4QDF
 | | Crystal structure of apo KshA5 and KshA1 in complex with 1,4-30Q-CoA from R. rhodochrous | | 分子名称: | 3-ketosteroid 9alpha-hydroxylase oxygenase, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Penfield, J, Worrall, L.J, Strynadka, N.C, Eltis, L.D. | | 登録日 | 2014-05-13 | | 公開日 | 2014-07-30 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Substrate specificities and conformational flexibility of 3-ketosteroid 9 alpha-hydroxylases.
J.Biol.Chem., 289, 2014
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3LHY
 | | Crystal structure of the mutant I199A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | | 分子名称: | 1-(5'-PHOSPHO-BETA-D-RIBOFURANOSYL)BARBITURIC ACID, Orotidine 5'-phosphate decarboxylase | | 著者 | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | 登録日 | 2010-01-23 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Conformational changes in orotidine 5'-monophosphate decarboxylase: "remote" residues that stabilize the active conformation.
Biochemistry, 49, 2010
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4QF9
 | | Structure of GluK1 ligand-binding domain (S1S2) in complex with (S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid at 2.28 A resolution | | 分子名称: | (2S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid, ACETATE ION, CHLORIDE ION, ... | | 著者 | Kristensen, C.M, Frydenvang, K, Kastrup, J.S. | | 登録日 | 2014-05-20 | | 公開日 | 2015-04-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Binding Mode of an alpha-Amino Acid-Linked Quinoxaline-2,3-dione Analogue at Glutamate Receptor Subtype GluK1.
ACS Chem Neurosci, 6, 2015
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9DCW
 | | FKBP1a (FKBP12) co-crystal structure with macrocycle molecular glue | | 分子名称: | (5S,14R,16aS,21R,28S,30aR)-14-[2-(3,4-dimethoxyphenyl)ethyl]-24,24,28-trimethyl-2-methylidene-1,3,4,17,18,19,20,24,25,28,29,30a-dodecahydro-2H,14H-9,13-(metheno)dipyrido[1,2-d:1',2'-o][1,10,18,4,7,15]trioxatriazacyclotetracosine-6,16,22,23,27,30(7H,16aH)-hexone, Peptidyl-prolyl cis-trans isomerase FKBP1A | | 著者 | Salcius, M.J, King, D.A, Clark, K. | | 登録日 | 2024-08-27 | | 公開日 | 2025-03-26 | | 最終更新日 | 2025-05-21 | | 実験手法 | X-RAY DIFFRACTION (1.721 Å) | | 主引用文献 | Identification and characterization of ternary complexes consisting of FKBP12, MAPRE1 and macrocyclic molecular glues.
Rsc Chem Biol, 6, 2025
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1MM7
 | | Crystal Structure of the GluR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in a Zinc Crystal Form at 1.65 Angstroms Resolution | | 分子名称: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION | | 著者 | Jin, R, Horning, M, Mayer, M.L, Gouaux, E. | | 登録日 | 2002-09-03 | | 公開日 | 2003-02-04 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Mechanism of Activation and Selectivity in a Ligand-Gated Ion Channel: Structural and Functional Studies of GluR2 and Quisqualate
Biochemistry, 41, 2003
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7H4F
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1618027593 (A71EV2A-x0812) | | 分子名称: | 1-methylindazole-3-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ... | | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | 登録日 | 2024-04-04 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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6EPZ
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7KSS
 | | DNA Polymerase Mu, dGTP:Ct Pre-Catalytic Ground State Ternary Complex, 10 mM Ca2+ (20min) | | 分子名称: | 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-11-24 | | 公開日 | 2022-05-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.503 Å) | | 主引用文献 | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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5VW4
 | | Nicotinamide soak of Y316S mutant of corn root ferredoxin:NADP+ reductase | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, MAGNESIUM ION, ... | | 著者 | Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. | | 登録日 | 2017-05-21 | | 公開日 | 2017-08-23 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.351 Å) | | 主引用文献 | High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily.
FEBS J., 284, 2017
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