6GU3
 
 | | CDK1/CyclinB/Cks2 in complex with AZD5438 | | 分子名称: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ... | | 著者 | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | 登録日 | 2018-06-19 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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4U87
 | | Crystal structure of the Ba-soaked C2 crystal form of pMV158 replication initiator RepB (P3221 space group) | | 分子名称: | BARIUM ION, CHLORIDE ION, MANGANESE (II) ION, ... | | 著者 | Boer, D.R, Ruiz Maso, J.A, del Solar, G, Coll, M. | | 登録日 | 2014-08-01 | | 公開日 | 2015-08-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Conformational plasticity of RepB, the replication initiator protein of promiscuous streptococcal plasmid pMV158.
Sci Rep, 6, 2016
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6GXX
 | | Fab fragment of an antibody selective for alpha-1-antitrypsin in the native conformation | | 分子名称: | FAB 1D9 heavy chain, FAB 1D9 light chain, MAGNESIUM ION | | 著者 | Elliston, E.L.K, Miranda, E, Perez, J, Lomas, D.A, Irving, J.A. | | 登録日 | 2018-06-27 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Characterisation of a monoclonal antibody conformationally-selective for native alpha-1-antitrypsin
To Be Published
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6GY4
 | | Crystal structure of the N-terminal KH domain of human BICC1 | | 分子名称: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, CHLORIDE ION, Protein bicaudal C homolog 1, ... | | 著者 | Newman, J.A, Katis, V.L, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2018-06-28 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.986 Å) | | 主引用文献 | Crystal structure of the N-terminal KH domain of human BICC1
To Be Published
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7ULW
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6FTD
 | | Deinococcus radiodurans BphP PAS-GAF H290T mutant | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ... | | 著者 | Edlund, P, Takala, H, Westenhoff, S, Ihalainen, J.A. | | 登録日 | 2018-02-21 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Coordination of the biliverdin D-ring in bacteriophytochromes.
Phys Chem Chem Phys, 20, 2018
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6HML
 | | POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017299 | | 分子名称: | 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Tucker, J.A, Barkauskaite, E. | | 登録日 | 2018-09-12 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
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6HWJ
 | | Glucosamine kinase (crystal form A) | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Manso, J.A, Pereira, P.J.B. | | 登録日 | 2018-10-12 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.979 Å) | | 主引用文献 | Molecular Fingerprints for a Novel Enzyme Family in Actinobacteria with Glucosamine Kinase Activity.
Mbio, 10, 2019
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6HMM
 | | POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00013907 | | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Poly(ADP-ribose) glycohydrolase, ... | | 著者 | Tucker, J.A, Brassington, C, Hassall, G. | | 登録日 | 2018-09-12 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
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6HN1
 | | Complex of Caprine Serum Albumin with diclofenac | | 分子名称: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, Albumin, CHLORIDE ION | | 著者 | Talaj, J.A, Bujacz, A, Bujacz, G. | | 登録日 | 2018-09-13 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins.
Int J Mol Sci, 24, 2023
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6HWK
 | | Glucosamine kinase (crystal form B) | | 分子名称: | CHLORIDE ION, Glucosamine kinase, MAGNESIUM ION | | 著者 | Manso, J.A, Pereira, P.J.B. | | 登録日 | 2018-10-12 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.688 Å) | | 主引用文献 | Molecular Fingerprints for a Novel Enzyme Family in Actinobacteria with Glucosamine Kinase Activity.
Mbio, 10, 2019
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7UJA
 | | Cryo-EM structure of Human respiratory syncytial virus F variant (construct pXCS847A) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AM14 Fab heavy chain, AM14 Fab light chain, ... | | 著者 | Lees, J.A, Ammirati, M, Han, S. | | 登録日 | 2022-03-30 | | 公開日 | 2023-04-19 | | 最終更新日 | 2023-05-10 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine.
Sci Transl Med, 15, 2023
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6HMN
 | | POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00014909 | | 分子名称: | 3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Tucker, J.A, Brassington, C, Hassall, G. | | 登録日 | 2018-09-12 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
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6HQ9
 | | Crystal structure of the Tudor domain of human ERCC6-L2 | | 分子名称: | DNA excision repair protein ERCC-6-like 2 | | 著者 | Newman, J.A, Gavard, A.E, Nathan, W.J, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2018-09-24 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.982 Å) | | 主引用文献 | Crystal structure of the Tudor domain of human ERCC6-L2
To Be Published
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6HWL
 | | Glucosamine kinase in complex with glucosamine, ADP and inorganic phosphate | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Manso, J.A, Pereira, P.J.B. | | 登録日 | 2018-10-12 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.148 Å) | | 主引用文献 | Molecular Fingerprints for a Novel Enzyme Family in Actinobacteria with Glucosamine Kinase Activity.
Mbio, 10, 2019
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4UNR
 | | Mtb TMK in complex with compound 23 | | 分子名称: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | 登録日 | 2014-05-30 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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4UNN
 | | Mtb TMK in complex with compound 8 | | 分子名称: | 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE | | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | 登録日 | 2014-05-29 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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6MHD
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6MI5
 | | NMR solution structure of lanmodulin (LanM) complexed with yttrium(III) ions | | 分子名称: | Lanmodulin, YTTRIUM (III) ION | | 著者 | Cook, E.C, Featherson, E.R, Showalter, S.A, Cotruvo Jr, J.A. | | 登録日 | 2018-09-19 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural Basis for Rare Earth Element Recognition by Methylobacterium extorquens Lanmodulin.
Biochemistry, 58, 2019
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7KRF
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-(2-cyanovinyl)-5-fluorophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ710) | | 分子名称: | 4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | | 著者 | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2020-11-19 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
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7KRC
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-chloro-5-(2-cyanovinyl)phenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ709) | | 分子名称: | 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | | 著者 | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2020-11-19 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
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6MR2
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7L7F
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6MUJ
 | | Formylglycine generating enzyme bound to copper | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, COPPER (II) ION, ... | | 著者 | Lafrance-Vanasse, J, Appel, M.J, Tsai, C.-L, Bertozzi, C, Tainer, J.A. | | 登録日 | 2018-10-23 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.249 Å) | | 主引用文献 | Formylglycine-generating enzyme binds substrate directly at a mononuclear Cu(I) center to initiate O2activation.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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8DO6
 | | The structure of S. epidermidis Cas10-Csm bound to target RNA | | 分子名称: | CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, CRISPR system Cms protein Csm4, ... | | 著者 | Paraan, M, Stagg, S.M, Dunkle, J.A. | | 登録日 | 2022-07-12 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | The structure of a Type III-A CRISPR-Cas effector complex reveals conserved and idiosyncratic contacts to target RNA and crRNA among Type III-A systems.
Plos One, 18, 2023
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