5ZXM
 
 | | Crystal Structure of GyraseB N-terminal at 1.93A Resolution | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA gyrase subunit B, ... | | 著者 | Tiwari, P, Gupta, D, Sachdeva, E, Sharma, S, Singh, T.P, Ethayathulla, A.S, Kaur, P. | | 登録日 | 2018-05-21 | | 公開日 | 2019-05-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.938 Å) | | 主引用文献 | Structural insights into the transient closed conformation and pH dependent ATPase activity of S.Typhi GyraseB N- terminal domain.
Arch.Biochem.Biophys., 701, 2021
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9EZW
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5K09
 | | Crystal Structure of COMT in complex with a thiazole ligand | | 分子名称: | 5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, PHOSPHATE ION, ... | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5JX2
 | | Crystal structure of MglB-2 (Tp0684) from Treponema pallidum | | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | 著者 | Brautigam, C.A, Deka, R.K, Norgard, M.V. | | 登録日 | 2016-05-12 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.0504 Å) | | 主引用文献 | The Tp0684 (MglB-2) Lipoprotein of Treponema pallidum: A Glucose-Binding Protein with Divergent Topology.
Plos One, 11, 2016
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6YC6
 | | Structure of C. glutamicum GlnK | | 分子名称: | 1,2-ETHANEDIOL, PHOSPHATE ION, PII protein | | 著者 | Grau, F.C, Muller, Y.A. | | 登録日 | 2020-03-18 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of adenylylated and unadenylylated P II protein GlnK from Corynebacterium glutamicum.
Acta Crystallogr D Struct Biol, 77, 2021
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8ALK
 | | Structure of the Legionella phosphocholine hydrolase Lem3 in complex with its substrate Rab1 | | 分子名称: | 2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Kaspers, M.S, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V. | | 登録日 | 2022-08-01 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b.
Nat Commun, 14, 2023
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8DE8
 | | Cryo-EM structure of the zebrafish two pore domain K+ channel TREK1 (K2P2.1) in DDM/POPA mixed micelles | | 分子名称: | (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, POTASSIUM ION, Potassium channel, ... | | 著者 | Schmidpeter, P.A.M, Nimigean, C.M, Riegelhaupt, P.M. | | 登録日 | 2022-06-20 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (2.82 Å) | | 主引用文献 | Membrane phospholipids control gating of the mechanosensitive potassium leak channel TREK1.
Nat Commun, 14, 2023
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7RFR
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Gajiwala, K.S, Ferre, R.A, Liu, W, Stewart, A.E. | | 登録日 | 2021-07-14 | | 公開日 | 2021-11-10 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.626 Å) | | 主引用文献 | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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7RQ9
 | | Crystal structure of the A2058-dimethylated Thermus thermophilus 70S ribosome in complex with iboxamycin, mRNA, deacylated A- and E-site tRNAs, and aminoacylated P-site tRNA at 2.60A resolution | | 分子名称: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Mitcheltree, M.J, Pisipati, A, Syroegin, E.A, Silvestre, K.J, Klepacki, D, Mason, J.D, Terwilliger, D.W, Testolin, G, Pote, A.R, Wu, K.J.Y, Ladley, R.P, Chatman, K, Mankin, A.S, Polikanov, Y.S, Myers, A.G. | | 登録日 | 2021-08-06 | | 公開日 | 2021-10-13 | | 最終更新日 | 2025-03-19 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A synthetic antibiotic class overcoming bacterial multidrug resistance.
Nature, 599, 2021
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6EC3
 | | Crystal Structure of EvdMO1 | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Methyltransferase domain-containing protein, NICKEL (II) ION | | 著者 | McCulloch, K.M, Iverson, T.M, Starbird, C.A, Perry, N.A, Chen, Q, Berndt, S, Yamakawa, I, Loukachevitch, L.V. | | 登録日 | 2018-08-07 | | 公開日 | 2018-12-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | The Structure of the Bifunctional Everninomicin Biosynthetic Enzyme EvdMO1 Suggests Independent Activity of the Fused Methyltransferase-Oxidase Domains.
Biochemistry, 57, 2018
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6EJ2
 | | BACE1 compound 28 | | 分子名称: | Beta-secretase 1, compound 28 | | 著者 | Johansson, P. | | 登録日 | 2017-09-20 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Toward beta-Secretase-1 Inhibitors with Improved Isoform Selectivity.
J. Med. Chem., 61, 2018
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9DP5
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7XL8
 | | Human Cx36/GJD2 (N-terminal deletion mutant) gap junction channel in soybean lipids (D6 symmetry) | | 分子名称: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction delta-2 protein | | 著者 | Lee, S.N, Cho, H.J, Jeong, H, Ryu, B, Lee, H.J, Lee, H.H, Woo, J.S. | | 登録日 | 2022-04-21 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Cryo-EM structures of human Cx36/GJD2 neuronal gap junction channel.
Nat Commun, 14, 2023
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6QJ7
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5XXS
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1DXA
 | | BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA IN DUPLEX DNA | | 分子名称: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA (5'-D(*CP*TP*CP*GP*GP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*AP*CP*GP*AP*G)-3') | | 著者 | Yeh, H.J.C, Sayer, J.M, Liu, X, Altieri, A.S, Byrd, R.A, Lakshman, M.K, Yagi, H, Schurter, E.J, Gorenstein, D.G, Jerina, D.M. | | 登録日 | 1995-09-01 | | 公開日 | 1995-12-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR solution structure of a nonanucleotide duplex with a dG mismatch opposite a 10S adduct derived from trans addition of a deoxyadenosine N6-amino group to (+)-(7R,8S,9S,10R)-7,8-dihydroxy-9,10-epoxy-7,8,9,10- tetrahydrobenzo[a]pyrene: an unusual syn glycosidic torsion angle at the modified dA
Biochemistry, 34, 1995
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9KT3
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6EG7
 | | BbvCI B2 dimer with I3C clusters | | 分子名称: | 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, BbvCI endonuclease subunit 2, ... | | 著者 | Shen, B.W, Stoddard, B.L. | | 登録日 | 2018-08-19 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI.
Nucleic Acids Res., 47, 2019
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9D0V
 | | Crystal structure of CDK2/CyclinE1 in complex with Cpd 2 | | 分子名称: | 1,2-ETHANEDIOL, 6-chloro-8-cyclopentyl-2-[4-(ethanesulfonyl)-2-methylanilino]pyrido[2,3-d]pyrimidin-7(8H)-one, Cyclin-dependent kinase 2, ... | | 著者 | Kwiatkowski, N, Liang, T, Sha, Z, Collier, P.N, Yang, A, Sathappa, M, Paul, A, Su, L, Zheng, X, Aversa, R, Li, K, Mehovic, R, Breitkopf, S.B, Chen, D, Howarth, C.L, Yuan, K, Jo, H, Growney, J.D, Weiss, M, Williams, J. | | 登録日 | 2024-08-07 | | 公開日 | 2025-04-16 | | 最終更新日 | 2025-04-30 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | CDK2 heterobifunctional degraders co-degrade CDK2 and cyclin E resulting in efficacy in CCNE1-amplified and overexpressed cancers.
Cell Chem Biol, 32, 2025
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7U8B
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5MRO
 | | Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (1) | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | | 著者 | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | 登録日 | 2016-12-23 | | 公開日 | 2017-07-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
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6U3E
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7RSP
 | | Structure of the VPS34 kinase domain with compound 14 | | 分子名称: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | | 著者 | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | 登録日 | 2021-08-11 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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8OUJ
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8OIO
 | | Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 12, ... | | 著者 | Dalietou, E.V, Chen, Z, Ramdass, A.E, Manning, C, Richardson, W, Aitmakhanova, K, Platt, M, Pike, A.C.W, Fedorov, O, Brennan, P, Bullock, A.N. | | 登録日 | 2023-03-23 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.954 Å) | | 主引用文献 | Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide
To Be Published
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