6UUF
 
 | | Crystal structure of a Nudix Hydrolase from M. Smegmatis, RenU | | 分子名称: | Nudix Hydrolase, RenU | | 著者 | Wright, K.M, Yoder, J, Shoemaker, S, Hernandez, A, Iheanacho, A, Marques, I, Amzel, M.L, Gabelli, S.B. | | 登録日 | 2019-10-30 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of RenU
To Be Published
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7S7T
 | | iNicSnFR3a Nicotine Sensor comprising Periplasmic Binding sequence plus Fluorescent Sequence with varenicline bound | | 分子名称: | IODIDE ION, VARENICLINE, iNicSnFR 3.0 Fluorescent Nicotine Sensor | | 著者 | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | | 登録日 | 2021-09-17 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands.
Elife, 11, 2022
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6LYT
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8BDI
 | | VCB in complex with compound 32 | | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | 登録日 | 2022-10-19 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.108 Å) | | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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4QSX
 | | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 3'-deoxy thymidine | | 分子名称: | 1,2-ETHANEDIOL, 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, ATPase family AAA domain-containing protein 2, ... | | 著者 | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2014-07-06 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
MedChemComm, 5, 2014
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8E7D
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6MFL
 | | Structure of siderophore binding protein BauB bound to a complex between two molecules of acinetobactin and ferric iron. | | 分子名称: | 1,2-ETHANEDIOL, FE (III) ION, Siderophore Binding Protein BauB, ... | | 著者 | Gulick, A.M, Bailey, D.C, Wencewicz, T.A. | | 登録日 | 2018-09-11 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of the Siderophore Binding Protein BauB Bound to an Unusual 2:1 Complex Between Acinetobactin and Ferric Iron.
Biochemistry, 57, 2018
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7S7U
 | | Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor with nicotine bound | | 分子名称: | iNicSnFR 3.0 Fluorescent Nicotine Sensor | | 著者 | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | | 登録日 | 2021-09-17 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands.
Elife, 11, 2022
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6VF0
 | | DNA Polymerase Mu, 8-oxorGTP:At Reaction State Ternary Complex, 50 mM Mg2+ (30 min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-01-03 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | DNA Polymerase Mu, 8-oxorGTP:At Reaction State Ternary Complex, 50 mM Mg2+ (30 min)
To be published
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5JW4
 | | Structure of MEDI8852 Fab Fragment in Complex with H5 HA | | 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, Hemagglutinin, ... | | 著者 | Neu, U, Collins, P.J, Walker, P.A, Vorlaender, M.K, Ogrodowicz, R.W, Martin, S.R, Gamblin, S.J, Skehel, J.J. | | 登録日 | 2016-05-11 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | | 主引用文献 | Structure and Function Analysis of an Antibody Recognizing All Influenza A Subtypes.
Cell, 166, 2016
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4QU9
 | | Caspase-3 F128A | | 分子名称: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3 | | 著者 | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | 登録日 | 2014-07-10 | | 公開日 | 2014-11-05 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.561 Å) | | 主引用文献 | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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6VFB
 | | DNA Polymerase Mu, 8-oxorGTP:Ct Reaction State Ternary Complex, 50 mM Mn2+ (960 min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-01-03 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | DNA Polymerase Mu, 8-oxorGTP:Ct Reaction State Ternary Complex, 50 mM Mn2+ (960 min)
To be published
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4QUR
 | | Crystal Structure of stachydrine demethylase in complex with cyanide, oxygen, and N-methyl proline in a new orientation | | 分子名称: | 1-methyl-L-proline, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COBALT HEXAMMINE(III), ... | | 著者 | Agarwal, R, Andi, B, Gizzi, A, Bonanno, J.B, Almo, S.C, Orville, A.M. | | 登録日 | 2014-07-11 | | 公開日 | 2015-07-15 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.759 Å) | | 主引用文献 | Tracking photoelectron induced in-crystallo enzyme catalysis
To be Published
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8VL8
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6VFC
 | | DNA Polymerase Mu, 8-oxorGTP:Ct Product State Ternary Complex, 50 mM Mn2+ (2160 min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2020-01-03 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | DNA Polymerase Mu, 8-oxorGTP:Ct Product State Ternary Complex, 50 mM Mn2+ (2160 min)
To be published
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6VE9
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8BHE
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8H2C
 | | Crystal structure of the pseudaminic acid synthase PseI from Campylobacter jejuni | | 分子名称: | MANGANESE (II) ION, Pseudaminic acid synthase | | 著者 | Song, W.S, Park, M.A, Ki, D.U, Yoon, S.I. | | 登録日 | 2022-10-05 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural analysis of the pseudaminic acid synthase PseI from Campylobacter jejuni.
Biochem.Biophys.Res.Commun., 635, 2022
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6Y4G
 | | Crystal structure of the human METTL3-METTL14 complex bound to Sinefungin | | 分子名称: | ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ... | | 著者 | Bedi, R.K, Omori, E, Caflisch, A. | | 登録日 | 2020-02-20 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
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8R9U
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | 分子名称: | 7-dimethylphosphoryl-3-[2-[[(3~{S})-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1~{H}-indole-6-carbonitrile, Cyclin-dependent kinase 7 | | 著者 | Mukherjee, M, Cleasby, A. | | 登録日 | 2023-11-30 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.937 Å) | | 主引用文献 | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
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6VNA
 | | Pden_1323 | | 分子名称: | Pyridoxamine 5'-phosphate oxidase-related, FMN-binding protein | | 著者 | Isiorho, E.A, Mansoorabadi, S.O. | | 登録日 | 2020-01-29 | | 公開日 | 2021-02-03 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A noncanonical heme oxygenase specific for the degradation of c-type heme.
J.Biol.Chem., 296, 2021
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7AKN
 | | Thermolysin from Bacillus thermoproteolyticus | | 分子名称: | CALCIUM ION, LYSINE, Thermolysin, ... | | 著者 | Boikova, A.S, Ilina, K.B, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. | | 登録日 | 2020-10-01 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Thermolysin from Bacillus thermoproteolyticus
To Be Published
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6EXM
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202) | | 分子名称: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | | 著者 | Grundstrom, C, Begum, A, Hall, M, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | 登録日 | 2017-11-08 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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4R85
 | | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-methylcytosine | | 分子名称: | 5-methylcytosine, Cytosine deaminase, FE (II) ION, ... | | 著者 | Fedorov, A.A, Fedorov, E.V, Hitchcock, D.S, Raushel, F.M, Almo, S.C. | | 登録日 | 2014-08-29 | | 公開日 | 2014-09-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | | 主引用文献 | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-methylcytosine
To be Published
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6EUZ
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK37) | | 分子名称: | (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | | 著者 | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | 登録日 | 2017-10-31 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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