7SJK
 
 | | Structure of PLS A-domain (residues 391-656) from Staphylococcus aureus | | 分子名称: | CALCIUM ION, Pls Plasmin sensitive surface protein | | 著者 | Clark, L, Whelan, F, Atkin, K.E, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R. | | 登録日 | 2021-10-18 | | 公開日 | 2022-10-26 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.208 Å) | | 主引用文献 | Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
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8BZI
 | | Human MST3 (STK24) kinase in complex with inhibitor MR39 | | 分子名称: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2,5-bis(fluoranyl)-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | | 著者 | Balourdas, D.I, Rak, M, Tesch, R, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | 登録日 | 2022-12-14 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.
Eur.J.Med.Chem., 254, 2023
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6LCX
 | | Crosslinked alpha(Ni)-beta(Ni) human hemoglobin A in the T quaternary structure at 95 K: Light | | 分子名称: | BUT-2-ENEDIAL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | | 登録日 | 2019-11-20 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6OBN
 | | The crystal structure of coexpressed SDS22:PP1 complex | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE (III) ION, ... | | 著者 | Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R. | | 登録日 | 2019-03-21 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4ZK3
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7S70
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI34 | | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Yang, K.S, Sankaran, B, Liu, W.R. | | 登録日 | 2021-09-15 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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6UO3
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) complexed with AR-42 | | 分子名称: | 1,2-ETHANEDIOL, AR-42, HDAC6, ... | | 著者 | Osko, J.D, Christianson, D.W. | | 登録日 | 2019-10-14 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.09000123 Å) | | 主引用文献 | Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6.
Biochemistry, 58, 2019
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6TUN
 | | Helicase domain complex | | 分子名称: | CDK-activating kinase assembly factor MAT1, CHLORIDE ION, General transcription and DNA repair factor IIH helicase subunit XPD | | 著者 | Sauer, F, Kisker, C. | | 登録日 | 2020-01-07 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | In TFIIH the Arch domain of XPD is mechanistically essential for transcription and DNA repair.
Nat Commun, 11, 2020
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4ZKK
 | | The novel double-fold structure of d(GCATGCATGC) | | 分子名称: | COBALT (II) ION, DNA (5'-D(*GP*CP*AP*TP*GP*CP*AP*TP*GP*C)-3') | | 著者 | Thirugnanasambandam, A, Karthik, S, Mandal, P.K, Gautham, N. | | 登録日 | 2015-04-30 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | The novel double-folded structure of d(GCATGCATGC): a possible model for triplet-repeat sequences
Acta Crystallogr.,Sect.D, 71, 2015
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6OP4
 | | Selenium-incorporated, carbon monoxide-inhibited, reactivated FeMo-cofactor of nitrogenase from Azotobacter vinelandii | | 分子名称: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ... | | 著者 | Arias, R.J, Rees, D.C. | | 登録日 | 2019-04-24 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Localized Electronic Structure of Nitrogenase FeMoco Revealed by Selenium K-Edge High Resolution X-ray Absorption Spectroscopy.
J.Am.Chem.Soc., 141, 2019
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6LG6
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8PD1
 | | Pseudomonas aeruginosa FabF C164A mutant in complex with N-isopropyl-1H-imidazole-4-carboxamide | | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O. | | 登録日 | 2023-06-11 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
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7VBV
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7 | | 分子名称: | ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | | 登録日 | 2021-09-01 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021
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8OKU
 | | Salt-Inducible Kinase 3 in complex with an inhibitor | | 分子名称: | Serine/threonine-protein kinase SIK3, ~{N}-ethyl-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxy-benzamide | | 著者 | Flower, T.G, Leonard, P.M, Lamers, M.B.A.C, Mollat, P. | | 登録日 | 2023-03-29 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Optimization of Selectivity and Pharmacokinetic Properties of Salt-Inducible Kinase Inhibitors that Led to the Discovery of Pan-SIK Inhibitor GLPG3312.
J.Med.Chem., 67, 2024
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5ZZA
 | | OdinProfilin/Rabbit Actin Complex | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | | 著者 | Robinson, R.C, Akil, C. | | 登録日 | 2018-05-31 | | 公開日 | 2018-10-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Genomes of Asgard archaea encode profilins that regulate actin.
Nature, 562, 2018
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6OPG
 | | phosphorylated ERK2 with AMP-PNP | | 分子名称: | MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Vigers, G.P, Smith, D. | | 登録日 | 2019-04-25 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6LGV
 | | Crystal structure of a cysteine-pair mutant (P10C-S291C) of a bacterial bile acid transporter in an inward-facing state complexed with citrate | | 分子名称: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Transporter, ... | | 著者 | Wang, X, Lyu, Y, Ji, Y, Sun, Z, Zhou, X. | | 登録日 | 2019-12-06 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.847 Å) | | 主引用文献 | Substrate binding in the bile acid transporter ASBT Yf from Yersinia frederiksenii.
Acta Crystallogr D Struct Biol, 77, 2021
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6TWF
 | | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12604 (an AOPCP derivative, compound 21 in publication) in the closed state | | 分子名称: | 5'-nucleotidase, CALCIUM ION, ZINC ION, ... | | 著者 | Pippel, J, Strater, N. | | 登録日 | 2020-01-13 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
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5ZZW
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7S03
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5ZSN
 | | Crystal structure of monkey TLR7 in complex with AAUUAA | | 分子名称: | 2',3'- cyclic AMP, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhang, Z, Ohto, U, Shimizu, T. | | 登録日 | 2018-04-28 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
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8OMK
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8C8F
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8OQO
 | | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-49 | | 分子名称: | GLYCEROL, Probable fatty oxidation protein FadB, Putative acyltransferase Rv0859, ... | | 著者 | Dalwani, S, Wierenga, R.K, Venkatesan, R. | | 登録日 | 2023-04-12 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
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6UFI
 | | W96Y Oxalate Decarboxylase (Bacillus subtilis) | | 分子名称: | CHLORIDE ION, Cupin domain-containing protein, GLYCEROL, ... | | 著者 | Pastore, A.J, Burg, M.J, Twahir, U.T, Bruner, S.D, Angerhofer, A. | | 登録日 | 2019-09-24 | | 公開日 | 2020-09-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Oxalate decarboxylase uses electron hole hopping for catalysis.
J.Biol.Chem., 297, 2021
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