6EP4
 
 | | Human butyrylcholinesterase in complex with decamethonium | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Rosenberry, T.L, Macdonald, I.R, Darvesh, S. | | 登録日 | 2017-10-10 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.30005383 Å) | | 主引用文献 | Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
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5C8I
 | | Joint X-ray/neutron structure of Human Carbonic Anhydrase II in complex with Methazolamide | | 分子名称: | Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION | | 著者 | Aggarwal, M, Kovalevsky, A.Y, Fisher, S.Z, McKenna, R. | | 登録日 | 2015-06-25 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-03-06 | | 実験手法 | NEUTRON DIFFRACTION (1.56 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug.
IUCrJ, 3, 2016
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4RPZ
 | | Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG)and dCTP soaked with MgCl2 for 60 s | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 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 (2.19 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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4RQA
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2BPC
 | | CRYSTAL STRUCTURE OF RAT DNA POLYMERASE BETA: EVIDENCE FOR A COMMON POLYMERASE MECHANISM | | 分子名称: | DNA POLYMERASE BETA, MANGANESE (II) ION | | 著者 | Sawaya, M.R, Pelletier, H, Kumar, A, Wilson, S.H, Kraut, J. | | 登録日 | 1994-07-08 | | 公開日 | 1994-08-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of rat DNA polymerase beta: evidence for a common polymerase mechanism.
Science, 264, 1994
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6E9L
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6ECZ
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | 分子名称: | Carbonic anhydrase 2, N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea, ZINC ION | | 著者 | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | 登録日 | 2018-08-08 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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4RUY
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5CGJ
 | | Crystal structure of murine Keap1 in complex with RA839, a non-covalent small-molecule binder to Keap1 and selective activator of Nrf2 signalling. | | 分子名称: | (3S)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid, Kelch-like ECH-associated protein 1, SULFATE ION | | 著者 | Schimanski-Breves, S, Loenze, P, Engel, C.K. | | 登録日 | 2015-07-09 | | 公開日 | 2015-10-21 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.36 Å) | | 主引用文献 | Characterization of RA839, a Noncovalent Small Molecule Binder to Keap1 and Selective Activator of Nrf2 Signaling.
J.Biol.Chem., 290, 2015
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6ECV
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5CMQ
 | | Crystal Structure of Zn-bound Human H-Ferritin variant 122H-delta C-star | | 分子名称: | Ferritin heavy chain, ZINC ION | | 著者 | Sontz, P.A, Bailey, J.B, Ahn, S, Tezcan, F.A. | | 登録日 | 2015-07-17 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.935 Å) | | 主引用文献 | A Metal Organic Framework with Spherical Protein Nodes: Rational Chemical Design of 3D Protein Crystals.
J.Am.Chem.Soc., 137, 2015
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5CI7
 | | Structure of ULK1 bound to a selective inhibitor | | 分子名称: | GLYCEROL, N-[3-({4-[(3-aminopropyl)amino]-5-iodopyrimidin-2-yl}amino)phenyl]pyrrolidine-1-carboxamide, Serine/threonine-protein kinase ULK1 | | 著者 | Lazarus, M.B, Shokat, K.M. | | 登録日 | 2015-07-11 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Discovery and structure of a new inhibitor scaffold of the autophagy initiating kinase ULK1.
Bioorg.Med.Chem., 23, 2015
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6EGW
 | | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp017 and RKp117 | | 分子名称: | [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, alpha-D-ribofuranose, cAMP-dependent protein kinase catalytic subunit alpha, ... | | 著者 | Mueller, J.M, Heine, A, Klebe, G. | | 登録日 | 2017-09-12 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
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4RAK
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5CMR
 | | Crystal Structure of Linker-Mediated Zn-bound Human H-Ferritin variant 122H-delta C-star | | 分子名称: | Ferritin heavy chain, N,N'-dihydroxybenzene-1,4-dicarboxamide, SODIUM ION, ... | | 著者 | Sontz, P.A, Bailey, J.B, Ahn, S, Tezcan, F.A. | | 登録日 | 2015-07-17 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.792 Å) | | 主引用文献 | A Metal Organic Framework with Spherical Protein Nodes: Rational Chemical Design of 3D Protein Crystals.
J.Am.Chem.Soc., 137, 2015
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6EM7
 | | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and ADP | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, UPF0418 protein FAM164A, ... | | 著者 | Mueller, J.M, Heine, A, Klebe, G. | | 登録日 | 2017-10-01 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.238 Å) | | 主引用文献 | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
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4RB1
 | | Crystal structure of Magnetospirillum gryphiswaldense MSR-1 Fur-Mn2+-E. coli Fur box | | 分子名称: | DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*AP*TP*GP*AP*TP*AP*AP*TP*CP*AP*TP*TP*AP*TP*CP*CP*GP*C)-3'), DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION | | 著者 | Deng, Z, Chen, Z. | | 登録日 | 2014-09-12 | | 公開日 | 2015-07-15 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
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4RFD
 | | Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium | | 分子名称: | 4-(4-sulfamoyl-phenoxy)-butylammonium, BICARBONATE ION, Carbonic anhydrase 2, ... | | 著者 | Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T. | | 登録日 | 2014-09-25 | | 公開日 | 2015-04-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | | 主引用文献 | A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.
J.Med.Chem., 57, 2014
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4RFC
 | | Human carbonic anhydrase II in complex with tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | | 分子名称: | Carbonic anhydrase 2, ZINC ION, tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | | 著者 | Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T. | | 登録日 | 2014-09-25 | | 公開日 | 2015-04-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.645 Å) | | 主引用文献 | A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.
J.Med.Chem., 57, 2014
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6ELZ
 | | State E (TAP-Flag-Ytm1 E80A) - Visualizing the assembly pathway of nucleolar pre-60S ribosomes | | 分子名称: | 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 25S ribosomal RNA, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ... | | 著者 | Kater, L, Cheng, J, Barrio-Garcia, C, Hurt, E, Beckmann, R. | | 登録日 | 2017-09-30 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Visualizing the Assembly Pathway of Nucleolar Pre-60S Ribosomes.
Cell, 171, 2017
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6EOC
 | | Crystal structure of AMPylated GRP78 in apo form (Crystal form 2) | | 分子名称: | 78 kDa glucose-regulated protein, CITRATE ANION, SULFATE ION | | 著者 | Yan, Y, Preissler, S, Ron, D, Read, R.J. | | 登録日 | 2017-10-09 | | 公開日 | 2017-11-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation.
Elife, 6, 2017
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2BRJ
 | | X-ray structure of the Allene Oxide Cyclase from Arabidopsis thaliana | | 分子名称: | ARABIDOPSIS THALIANA GENOMIC DNA, CHROMOSOME 3,, GLYCEROL | | 著者 | Hofmann, E, Zerbe, P, Schaller, F. | | 登録日 | 2005-05-06 | | 公開日 | 2006-08-24 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The Crystal Structure of Arabidopsis Thaliana Allene Oxide Cyclase: Insights Into the Oxylipin Cyclization Reaction.
Plant Cell, 18, 2006
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6EPD
 | | Substrate processing state 26S proteasome (SPS1) | | 分子名称: | 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, 26S proteasome non-ATPase regulatory subunit 13, ... | | 著者 | Guo, Q, Lehmer, C, Martinez-Sanchez, A, Rudack, T, Beck, F, Hartmann, H, Hipp, M.S, Hartl, F.U, Edbauer, D, Baumeister, W, Fernandez-Busnadiego, R. | | 登録日 | 2017-10-11 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (15.4 Å) | | 主引用文献 | In Situ Structure of Neuronal C9orf72 Poly-GA Aggregates Reveals Proteasome Recruitment.
Cell, 172, 2018
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6ERU
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5BRW
 | | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | | 分子名称: | ACETATE ION, Carbonic anhydrase 2, SULFATE ION, ... | | 著者 | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | | 登録日 | 2015-06-01 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
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