7QC3
 
 | | HisF from T. maritima | | 分子名称: | Imidazole glycerol phosphate synthase subunit HisF | | 著者 | Beaumet, M, Dose, A, Braeuer, A, Mahy, J, Ghattas, W, Groll, M, Hess, C. | | 登録日 | 2021-11-22 | | 公開日 | 2022-08-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity.
J.Inorg.Biochem., 235, 2022
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5MTP
 | | Crystal structure of M. tuberculosis InhA inhibited by PT514 | | 分子名称: | 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | 著者 | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | | 登録日 | 2017-01-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
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8U0Q
 | | Co-crystal structure of optimized analog TDI-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series | | 分子名称: | Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Dementiev, A.A, Michino, M, Vendome, J, Ginn, J, Bryk, R, Olland, A. | | 登録日 | 2023-08-29 | | 公開日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors.
Acs Bio Med Chem Au, 3, 2023
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6SUN
 | | Amicoumacin kinase hAmiN in complex with AMP-PNP, Ca2+ and Ami | | 分子名称: | APH domain-containing protein, amicoumacin kinase, Amicoumacin A, ... | | 著者 | Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S. | | 登録日 | 2019-09-16 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding.
Sci Adv, 6, 2020
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6PMP
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6Z1E
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7Q5V
 | | HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH N-OXALYLGLYCINE (NOG) AND HIF-2 ALPHA CODD (523-542) | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Egl nine homolog 1, ... | | 著者 | Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J. | | 登録日 | 2021-11-04 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2.
Proteins, 91, 2023
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5MWU
 | | Crystal structure of the periplasmic nickel-binding protein NikA from Escherichia coli in complex with Ru(bpza)(CO)2Cl | | 分子名称: | ACETATE ION, CARBON MONOXIDE, CHLORIDE ION, ... | | 著者 | Cavazza, C, Lopez, S, Rondot, L, Iannello, M, Boeri-Erba, E, Burzlaff, N, Strinitz, F, Jorge-Robin, A, Marchi-Delapierre, C, Menage, S. | | 登録日 | 2017-01-20 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Efficient conversion of alkenes to chlorohydrins by a Ru-based artificial enzyme
To Be Published
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8FT5
 | | Crystal structure of LeuT soaked with Crown-5 | | 分子名称: | CHLORIDE ION, LEUCINE, Na(+):neurotransmitter symporter (Snf family), ... | | 著者 | Karasawa, A, Liu, H, Quick, M, Hendrickson, A.H, Liu, Q. | | 登録日 | 2023-01-11 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Crystallographic characterization of sodium ions in a bacterial leucine/sodium symporter
To be Published
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8FT4
 | | Multicrystal structure of Na+, leucine-bound LeuT determined at 5 keV | | 分子名称: | CHLORIDE ION, LEUCINE, Na(+):neurotransmitter symporter (Snf family), ... | | 著者 | Karasawa, A, Liu, H, Quick, M, Hendrickson, A.H, Liu, Q. | | 登録日 | 2023-01-11 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | Crystallographic characterization of sodium ions in a bacterial leucine/sodium symporter
To be Published
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6MN7
 | | Cryo-EM structure of BG505.SOSIP.664 in complex with BF520.1 antigen binding fragment | | 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, BF520.1 Fab variable region, ... | | 著者 | Williams, J.A, Lee, K.K, Overbaugh, J. | | 登録日 | 2018-10-01 | | 公開日 | 2019-03-06 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | | 主引用文献 | Kappa chain maturation helps drive rapid development of an infant HIV-1 broadly neutralizing antibody lineage.
Nat Commun, 10, 2019
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8FIG
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6PAF
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5MXY
 | | KustC0563 c-type cytochrome | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Cytochrome c-552 Ks_3358, ... | | 著者 | Mohd, A, Barends, T. | | 登録日 | 2017-01-25 | | 公開日 | 2018-02-14 | | 最終更新日 | 2021-10-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Specificity of Small c -Type Cytochromes in Anaerobic Ammonium Oxidation.
Acs Omega, 6, 2021
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8FJH
 | | Crystal structure of RalA in a covalent complex with SOF-531 | | 分子名称: | 8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Landgraf, A.D, Yeh, I.-J, Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S. | | 登録日 | 2022-12-19 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation.
Chemmedchem, 18, 2023
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6MQ9
 | | Crystal Structure of GTPase Domain of Human Septin 12 in complex with GMPPNP | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Septin-12 | | 著者 | Castro, D.K.S.V, Pereira, H.M, Brandao-Neto, J, Ulian, A.P.U, Garratt, R.C. | | 登録日 | 2018-10-09 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface.
Iucrj, 7, 2020
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6MQB
 | | Crystal Structure of GTPase Domain of Human Septin 12 in complex with GMPPNP in Space Group C2221 | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Septin-12 | | 著者 | Castro, D.K.S.V, Pereira, H.M, Brandao-Neto, J, Ulian, A.P.U, Garratt, R.C. | | 登録日 | 2018-10-09 | | 公開日 | 2019-10-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface.
Iucrj, 7, 2020
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7T7U
 | | Light Harvesting complex phycocyanin PC 630, from the cryptophyte Chroomonas sp. M1627 | | 分子名称: | DiCys-(15,16)-Dihydrobiliverdin, GLYCEROL, PHYCOCYANOBILIN, ... | | 著者 | Michie, K.A, Harrop, S.J, Rathbone, H.W, Wilk, K.E, Curmi, P.M.G. | | 登録日 | 2021-12-15 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
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8FJI
 | | Crystal structure of RalA in a covalent complex with SOF-367 | | 分子名称: | 8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Landgraf, A.D, Yeh, I.-J, Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S. | | 登録日 | 2022-12-19 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation.
Chemmedchem, 18, 2023
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8PT1
 | | ERK2 covelently bound to RU76 cyclohexenone based inhibitor | | 分子名称: | Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ~{O}1-methyl ~{O}3-(phenylmethyl) (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate | | 著者 | Sok, P, Poti, A, Remenyi, A, Gogl, G. | | 登録日 | 2023-07-13 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
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7TDT
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7B8I
 | | Tetragonal structure of human protein kinase CK2 catalytic subunit in complex with a heparin oligo saccharide | | 分子名称: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Casein kinase II subunit alpha, GLYCEROL, ... | | 著者 | Niefind, K, Schnitzler, A. | | 登録日 | 2020-12-12 | | 公開日 | 2021-02-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural basis for the design of bisubstrate inhibitors of protein kinase CK2 provided by complex structures with the substrate-competitive inhibitor heparin.
Eur.J.Med.Chem., 214, 2021
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6T0K
 | | Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole | | 分子名称: | CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, GLYCEROL, ... | | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2019-10-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
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6ZJU
 | | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with saccharose | | 分子名称: | ACETATE ION, Beta-galactosidase, MALONATE ION, ... | | 著者 | Rutkiewicz, M, Bujacz, A, Bujacz, G. | | 登録日 | 2020-06-29 | | 公開日 | 2020-08-05 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 21, 2020
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6YTD
 | | CLK1 V324A mutant bound with benzothiazole Tg003 (Cpd 2) | | 分子名称: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK1 | | 著者 | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-04-24 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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