6YHA
 
 | | Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | | 分子名称: | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Carbonic anhydrase 2, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2020-03-28 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
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6W3Y
 | | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-alanine | | 分子名称: | ALANINE, CHLORIDE ION, GLYCEROL, ... | | 著者 | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | | 登録日 | 2020-03-09 | | 公開日 | 2020-05-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
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5NEK
 | | Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with acetazolamide | | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Peptidoglycan N-acetylglucosamine deacetylase, ... | | 著者 | Andreou, A, Giastas, P, Eliopoulos, E.E. | | 登録日 | 2017-03-10 | | 公開日 | 2018-02-21 | | 最終更新日 | 2019-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.057 Å) | | 主引用文献 | Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
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8EUL
 | | cytochrome P450terp (cyp108A1) mutant F188A bound to alpha-terpineol | | 分子名称: | 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Gable, J.A, Follmer, A.H, Poulos, T.L. | | 登録日 | 2022-10-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
J.Am.Chem.Soc., 2023
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6PYS
 | | Human PI3Kalpha in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one) | | 分子名称: | (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one, GLYCEROL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Lesburg, C.A, Augustin, M.A. | | 登録日 | 2019-07-30 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow.
Bioorg.Med.Chem.Lett., 29, 2019
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7NP4
 | | cAMP-bound rabbit HCN4 stabilized in LMNG-CHS detergent mixture | | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | | 著者 | Giese, H, Chaves-Sanjuan, A, Saponaro, A, Clarke, O, Bolognesi, M, Mancia, F, Hendrickson, W.A, Thiel, G, Santoro, B, Moroni, A. | | 登録日 | 2021-02-26 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Gating movements and ion permeation in HCN4 pacemaker channels.
Mol.Cell, 81, 2021
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7NP3
 | | cAMP-free rabbit HCN4 stabilized in LMNG-CHS detergent mixture | | 分子名称: | Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | | 著者 | Giese, H.M, Chaves-Sanjuan, A, Saponaro, A, Clarke, O, Bolognesi, M, Mancia, F, Hendrickson, W.A, Thiel, G, Santoro, B, Moroni, A. | | 登録日 | 2021-02-26 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Gating movements and ion permeation in HCN4 pacemaker channels.
Mol.Cell, 81, 2021
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8VTW
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with macrolone MCX-128 and protein Y at 2.35A resolution | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-cyclopropyl-7-(4-{4-[({[(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-14-(methoxyimino)-3a,7,9,11,13,15-hexamethyl-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl]oxy}carbonyl)amino]butyl}piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, ... | | 著者 | Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S. | | 登録日 | 2024-01-27 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 2024
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8VVL
 | | CCHFV GP38 bound to c13G8 Fab | | 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, CHLORIDE ION, ... | | 著者 | Hjorth, C.K, Mishra, A.K, McLellan, J.S. | | 登録日 | 2024-01-31 | | 公開日 | 2024-07-17 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crimean-Congo hemorrhagic fever survivors elicit protective non-neutralizing antibodies that target 11 overlapping regions on glycoprotein GP38.
Cell Rep, 43, 2024
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6Q0U
 | | Structure of the Erbin PDZ variant E-6a with a high-affinity C-terminal peptide | | 分子名称: | 1,2-ETHANEDIOL, Erbin, peptide | | 著者 | Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S. | | 登録日 | 2019-08-02 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities.
Protein Sci., 29, 2020
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5N69
 | | Cardiac muscle myosin S1 fragment in the pre-powerstroke state co-crystallized with the activator Omecamtiv Mecarbil | | 分子名称: | 3,3',3''-phosphanetriyltripropanoic acid, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | 著者 | Planelles-Herrero, V.J, Hartman, J.J, Robert-Paganin, J, Malik, F.I, Houdusse, A. | | 登録日 | 2017-02-14 | | 公開日 | 2017-08-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Mechanistic and structural basis for activation of cardiac myosin force production by omecamtiv mecarbil.
Nat Commun, 8, 2017
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4RQ8
 | | Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine(8-oxoG) and dATP soaked with MnCl2 for 35 s | | 分子名称: | ACETATE ION, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | 著者 | Vyas, R, Reed, A.J, Suo, Z. | | 登録日 | 2014-10-31 | | 公開日 | 2015-04-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography.
J.Am.Chem.Soc., 137, 2015
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6Q23
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6YJM
 | | Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with the Inhibitor GLPG1972 | | 分子名称: | (5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione, A disintegrin and metalloproteinase with thrombospondin motifs 5, CALCIUM ION, ... | | 著者 | Goepfert, A, Leonard, P, Triballeau, N, Fleury, D, Mollat, P, Lamers, M. | | 登録日 | 2020-04-03 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis.
J.Med.Chem., 64, 2021
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6Q39
 | | Complex of Arginase 2 with Example 49 | | 分子名称: | 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-1-[[(2~{S})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide, Arginase-2, mitochondrial, ... | | 著者 | Podjarny, A.D, Van Zandt, M.C, Cousido-Siah, A. | | 登録日 | 2018-12-03 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.213 Å) | | 主引用文献 | Discovery ofN-Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II.
J.Med.Chem., 62, 2019
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7PL3
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7NDO
 | | ER-PRS*(-) (L536S, L372R) in complex with raloxifene | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Estrogen receptor, ... | | 著者 | Kriegel, M, Muller, Y.A. | | 登録日 | 2021-02-02 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A PROSS-designed extensively mutated estrogen receptor alpha variant displays enhanced thermal stability while retaining native allosteric regulation and structure.
Sci Rep, 11, 2021
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6Q3W
 | | Structure of human galactokinase 1 bound with Ethyl 1-(2-pyrazinyl)-4-piperidinecarboxylate | | 分子名称: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ... | | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | 登録日 | 2018-12-04 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.962 Å) | | 主引用文献 | Structure of human galactokinase 1 bound with Ethyl 1-(2-pyrazinyl)-4-piperidinecarboxylate
To Be Published
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6Q4Y
 | | Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in complex with mannose | | 分子名称: | LmxM MPT-2, alpha-D-mannopyranose, beta-D-mannopyranose | | 著者 | Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J. | | 登録日 | 2018-12-06 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
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6QA7
 | | Glycogen Phosphorylase b in complex with 29 | | 分子名称: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2018-12-18 | | 公開日 | 2019-06-26 | | 最終更新日 | 2019-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
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6VO0
 | | BG505 SOSIP.v5.2 in complex with rabbit Fab 43A2 | | 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, 43A2 heavy chain, ... | | 著者 | Nogal, B, Cottrell, C.A, Ward, A.B. | | 登録日 | 2020-01-29 | | 公開日 | 2020-07-01 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | | 主引用文献 | HIV envelope trimer-elicited autologous neutralizing antibodies bind a region overlapping the N332 glycan supersite.
Sci Adv, 6, 2020
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5N3C
 | | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule Thiophene-3-Carboximidamide | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, [azanyl(thiophen-3-yl)methylidene]azanium, cAMP dependent protein kinase inhibitor alpha-like protein, ... | | 著者 | Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2017-02-08 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.772 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
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7B6R
 | | Drosophila melanogaster TRAPPIII partial complex: core plus C8 and C11 attached region | | 分子名称: | FI18195p1, GEO08327p1, Probable trafficking protein particle complex subunit 2, ... | | 著者 | Galindo, A, Munro, S, Planelles-Herrero, V.J, Degliesposti, G. | | 登録日 | 2020-12-08 | | 公開日 | 2021-06-09 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (5.8 Å) | | 主引用文献 | Cryo-EM structure of metazoan TRAPPIII, the multi-subunit complex that activates the GTPase Rab1.
Embo J., 40, 2021
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8W08
 | | Crystal Structure of the worst case reconstruction of the ancestral triosephosphate isomerase of the last opisthokont common ancestor obtained by maximum likelihood | | 分子名称: | FLUORIDE ION, Triosephosphate isomerase | | 著者 | Perez-Nino, J.A, Rodriguez-Romero, A, Guerra-Borrego, Y, Fernandez-Velasco, D.A. | | 登録日 | 2024-02-13 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Stable monomers in the ancestral sequence reconstruction of the last opisthokont common ancestor of dimeric triosephosphate isomerase.
Protein Sci., 33, 2024
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7B6D
 | | Drosophila melanogaster TRAPPCore (C1, C2, C2L, C3a/b, C4, C5, C6 subunits) | | 分子名称: | GEO08327p1, Probable trafficking protein particle complex subunit 2, TRAPPC2L, ... | | 著者 | Galindo, A, Munro, S, Planelles-Herrero, V.J, Degliesposti, G. | | 登録日 | 2020-12-07 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (4.27 Å) | | 主引用文献 | Cryo-EM structure of metazoan TRAPPIII, the multi-subunit complex that activates the GTPase Rab1.
Embo J., 40, 2021
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