7NCF
 
 | | Crystal structure of HIPK2 in complex with MU135 (compound 21e) | | 分子名称: | 3-(4-Tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine, Homeodomain-interacting protein kinase 2 | | 著者 | Chaikuad, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2021-01-28 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Highly selective inhibitors of protein kinases CLK and HIPK with the furo[3,2-b]pyridine core.
Eur.J.Med.Chem., 215, 2021
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6DYC
 | | Co(II)-bound structure of the engineered cyt cb562 variant, CH3 | | 分子名称: | CALCIUM ION, COBALT (II) ION, HEME C, ... | | 著者 | Tezcan, F.A, Rittle, J. | | 登録日 | 2018-07-01 | | 公開日 | 2019-04-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | An efficient, step-economical strategy for the design of functional metalloproteins.
Nat.Chem., 11, 2019
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5X1M
 | | Vanillate/3-O-methylgallate O-demethylase, LigM, protocatechuate-tetrahydrofolate complex form | | 分子名称: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Harada, A, Senda, T. | | 登録日 | 2017-01-26 | | 公開日 | 2017-05-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6
FEBS J., 284, 2017
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5IJG
 | | Crystal structure of O-acetylhomoserine sulfhydrolase from Brucella melitensis at 2.0 A resolution | | 分子名称: | Cys/Met metabolism pyridoxal-phosphate-dependent enzyme, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Boyko, K.M, Nikolaeva, A.Y, Koolikova, V.V, Kotlov, M.I, Demidkina, T.V, Popov, V.O. | | 登録日 | 2016-03-02 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of O-acetylhomoserine sulfhydrolase from Brucella melitensis at 2.0 A resolution
To Be Published
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6DYZ
 | | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((prop-2-yn-1-ylthio)methyl)pyrrolidin-3-ol | | 分子名称: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | 登録日 | 2018-07-02 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
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6DYR
 | | C-terminal condensation domain of Ebony in complex with Carcinine | | 分子名称: | Ebony, N-[2-(1H-imidazol-5-yl)ethyl]-beta-alaninamide | | 著者 | Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J. | | 登録日 | 2018-07-02 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7NBD
 | | Crystal structure of human serine racemase in complex with DSiP fragment Z235449082, XChem fragment screen. | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | 著者 | Koulouris, C.R, Roe, S.M. | | 登録日 | 2021-01-26 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.865 Å) | | 主引用文献 | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
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6DZ2
 | | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol | | 分子名称: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, ACETIC ACID, ... | | 著者 | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | 登録日 | 2018-07-02 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
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6DZQ
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid | | 分子名称: | 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid, MANGANESE (II) ION, ... | | 著者 | Dick, B.L, Morrison, C.N, Cohen, S.M. | | 登録日 | 2018-07-05 | | 公開日 | 2018-11-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
J. Med. Chem., 61, 2018
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6E0O
 | | Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase with pppA[3'-5']pA | | 分子名称: | MAGNESIUM ION, RNA (5'-D(*(ATP))-R(P*A)-3'), cGAS/DncV-like nucleotidyltransferase in E. coli homolog | | 著者 | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | | 登録日 | 2018-07-06 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019
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7NBC
 | | Crystal structure of human serine racemase in complex with DSiP fragment Z2856434779, XChem fragment screen. | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, ... | | 著者 | Koulouris, C.R, Roe, S.M. | | 登録日 | 2021-01-26 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
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5X2H
 | | Crystal structure of Campylobacter jejuni Cas9 in complex with sgRNA and target DNA (AGAAACA PAM) | | 分子名称: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, Non-target DNA strand, ... | | 著者 | Yamada, M, Watanabe, Y, Hirano, H, Nakane, T, Ishitani, R, Nishimasu, H, Nureki, O. | | 登録日 | 2017-01-31 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structure of the Minimal Cas9 from Campylobacter jejuni Reveals the Molecular Diversity in the CRISPR-Cas9 Systems
Mol. Cell, 65, 2017
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5IFF
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6HX3
 | | PDX1.2/PDX1.3 complex | | 分子名称: | Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION | | 著者 | Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B. | | 登録日 | 2018-10-15 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse.
Acta Crystallogr D Struct Biol, 75, 2019
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5IFR
 | | Structure of the stable UBE2D3-UbDha conjugate | | 分子名称: | GLYCEROL, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D3 | | 著者 | Pruneda, J.N, Mulder, M.P.C, Witting, K, Ovaa, H, Komander, D. | | 登録日 | 2016-02-26 | | 公開日 | 2016-05-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A cascading activity-based probe sequentially targets E1-E2-E3 ubiquitin enzymes.
Nat.Chem.Biol., 12, 2016
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6HXM
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5IQE
 | | Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Neomycin B | | 分子名称: | Bifunctional AAC/APH, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Caldwell, S.J, Berghuis, A.M. | | 登録日 | 2016-03-10 | | 公開日 | 2016-05-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
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6HXV
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6HYS
 | | Crystal structure of DHX8 helicase domain bound to ADP at 2.6 angstrom | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Felisberto-Rodrigues, C, Thomas, J.C, McAndrew, P.C, Le Bihan, Y.V, Burke, R, Workman, P, van Montfort, R.L.M. | | 登録日 | 2018-10-22 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural and functional characterisation of human RNA helicase DHX8 provides insights into the mechanism of RNA-stimulated ADP release.
Biochem.J., 476, 2019
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5IG8
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6HZH
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6HZP
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5W91
 | | Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118 | | 分子名称: | 1-tert-butyl-N~3~-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine, CALCIUM ION, Calmodulin-domain protein kinase 1 | | 著者 | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | | 登録日 | 2017-06-22 | | 公開日 | 2017-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118
To be published
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5IGO
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5IHE
 | | D-family DNA polymerase - DP1 subunit (3'-5' proof-reading exonuclease) | | 分子名称: | 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, ACETATE ION, ... | | 著者 | Sauguet, L, Raia, P, De Larue, M. | | 登録日 | 2016-02-29 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Shared active site architecture between archaeal PolD and multi-subunit RNA polymerases revealed by X-ray crystallography.
Nat Commun, 7, 2016
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