6K4H
 
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7ZH8
 | | DYRK1a in Complex with a Bromo-Triazolo-Pyridine | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine, CHLORIDE ION, ... | | 著者 | Dammann, M, Stahlecker, J, Stehle, T, Boeckler, F.M. | | 登録日 | 2022-04-05 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Screening of a Halogen-Enriched Fragment Library Leads to Unconventional Binding Modes.
J.Med.Chem., 65, 2022
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3N3G
 | | 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important | | 分子名称: | (E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine, 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile, Cathepsin S, ... | | 著者 | Fradera, X, Uitdehaag, J.C.M, van Zeeland, M. | | 登録日 | 2010-05-20 | | 公開日 | 2010-07-14 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important.
Bioorg.Med.Chem.Lett., 20, 2010
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6QDI
 | | anti-sigma factor domain-containing protein from Clostridium clariflavum | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, PA14 domain-containing protein | | 著者 | Voronov, M, Bayer, E.A, Livnah, O. | | 登録日 | 2019-01-01 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Distinctive ligand-binding specificities of tandem PA14 biomass-sensory elements from Clostridium thermocellum and Clostridium clariflavum.
Proteins, 87, 2019
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7ZQ0
 | | Room temperature SSX structure of GH11 xylanase from Nectria haematococca (1000 frames) | | 分子名称: | Endo-1,4-beta-xylanase | | 著者 | Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K. | | 登録日 | 2022-04-29 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
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1A8H
 | | METHIONYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS | | 分子名称: | METHIONYL-TRNA SYNTHETASE, ZINC ION | | 著者 | Sugiura, I, Nureki, O, Ugaji, Y, Kuwabara, S, Lober, B, Giege, R, Moras, D, Yokoyama, S, Konno, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 1998-03-26 | | 公開日 | 1999-05-04 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The 2.0 A crystal structure of Thermus thermophilus methionyl-tRNA synthetase reveals two RNA-binding modules.
Structure, 8, 2000
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7ZPV
 | | Room temperature SSX crystal structure of CTX-M-14 | | 分子名称: | Beta-lactamase, SULFATE ION | | 著者 | Oberthuer, D, Perbandt, M, Prester, A, Rohde, H, Betzel, C, Yefanov, O. | | 登録日 | 2022-04-29 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
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5GU5
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6T8H
 | | Cryo-EM structure of the DNA-bound PolD-PCNA processive complex from P. abyssi | | 分子名称: | DNA polymerase II small subunit, DNA polymerase sliding clamp, DNA primer, ... | | 著者 | Madru, C, Raia, P, Hugonneau Beaufet, I, Pehau-Arnaudet, G, England, P, Lindhal, E, Delarue, M, Carroni, M, Sauguet, L. | | 登録日 | 2019-10-24 | | 公開日 | 2020-03-04 | | 最終更新日 | 2020-04-08 | | 実験手法 | ELECTRON MICROSCOPY (3.77 Å) | | 主引用文献 | Structural basis for the increased processivity of D-family DNA polymerases in complex with PCNA.
Nat Commun, 11, 2020
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6VUQ
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5AYC
 | | Crystal structure of Ruminococcus albus 4-O-beta-D-mannosyl-D-glucose phosphorylase (RaMP1) in complexes with sulfate and 4-O-beta-D-mannosyl-D-glucose | | 分子名称: | 4-O-beta-D-mannosyl-D-glucose phosphorylase, SULFATE ION, beta-D-mannopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Ye, Y, Saburi, W, Kato, K, Yao, M. | | 登録日 | 2015-08-13 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural insights into the difference in substrate recognition of two mannoside phosphorylases from two GH130 subfamilies.
Febs Lett., 590, 2016
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6G3S
 | | Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the nucleotide binding domain of HSP70. Second structure of two TEW-HSP70 structures deposited. | | 分子名称: | 6-tungstotellurate(VI), ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, ... | | 著者 | Mac Sweeney, A, Chambovey, A, Wicki, M, Mueller, M, Artico, N, Lange, R, Bijelic, A, Breibeck, J, Rompel, A. | | 登録日 | 2018-03-26 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms.
PLoS ONE, 13, 2018
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6G3R
 | | Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the nucleotide binding domain of HSP70. Structure one of two TEW-HSP70 structures deposited. | | 分子名称: | 6-tungstotellurate(VI), ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, ... | | 著者 | Mac Sweeney, A, Chambovey, A, Wicki, M, Mueller, M, Artico, N, Lange, R, Bijelic, A, Breibeck, J, Rompel, A. | | 登録日 | 2018-03-26 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms.
PLoS ONE, 13, 2018
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7JXT
 | | Ovine COX-1 in complex with the subtype-selective derivative 2a | | 分子名称: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Ko, Y, Iaselli, M, Miciaccia, M, Friedrich, L, Schneider, G, Scilimati, A, Cingolani, G. | | 登録日 | 2020-08-27 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo Design.
Adv Sci, 8, 2021
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1KR7
 | | Crystal structure of the nerve tissue mini-hemoglobin from the nemertean worm Cerebratulus lacteus | | 分子名称: | ACETATE ION, Neural globin, OXYGEN MOLECULE, ... | | 著者 | Pesce, A, Nardini, M, Dewilde, S, Geuens, E, Yamauchi, k, Ascenzi, P, Riggs, A.F, Moens, L, Bolognesi, M. | | 登録日 | 2002-01-09 | | 公開日 | 2002-05-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The 109 residue nerve tissue minihemoglobin from Cerebratulus lacteus highlights striking structural plasticity of the alpha-helical globin fold
Structure, 10, 2002
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6Q52
 | | Structure of a psychrophilic CCA-adding enzyme in complex with CMPcPP at room temperature in ChipX microfluidic device | | 分子名称: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CCA-adding enzyme | | 著者 | de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C. | | 登録日 | 2018-12-06 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
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8AMO
 | | Crystal structure of M. tuberculosis CYP143 | | 分子名称: | CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Bukhdruker, S, Varaksa, T, Grudo, A, Marin, E, Kapranov, I, Shevtsov, M, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2022-08-03 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
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8B2C
 | | Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative | | 分子名称: | (1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid, 3-dehydroquinate dehydratase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2022-09-13 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Front Mol Biosci, 10, 2023
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5H13
 | | EED in complex with PRC2 allosteric inhibitor EED396 | | 分子名称: | 4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile, GLYCEROL, PRASEODYMIUM ION, ... | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | 登録日 | 2016-10-08 | | 公開日 | 2017-01-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
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8B2A
 | | Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative | | 分子名称: | (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION, ... | | 著者 | Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2022-09-13 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Front Mol Biosci, 10, 2023
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8B0Q
 | | Deinococcus radiodurans UvrC C-terminal half | | 分子名称: | UvrABC system protein C | | 著者 | Timmins, J, Stelter, M. | | 登録日 | 2022-09-08 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and functional insights into the activation of the dual incision activity of UvrC, a key player in bacterial NER.
Nucleic Acids Res., 51, 2023
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8B2B
 | | Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative | | 分子名称: | (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid, 3-dehydroquinate dehydratase, SODIUM ION | | 著者 | Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2022-09-13 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Front Mol Biosci, 10, 2023
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6QE7
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6GCR
 | | Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor | | 分子名称: | 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1 | | 著者 | Yen-Pon, E, Li, B, Acebron-Garcia de Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H. | | 登録日 | 2018-04-19 | | 公開日 | 2019-05-01 | | 最終更新日 | 2019-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
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6HX0
 | | Cell wall binding domain of endolysin from Listeria phage A500. | | 分子名称: | L-alanyl-D-glutamate peptidase | | 著者 | Dunne, M, Taylor, N.M.I, Shen, Y, Loessner, M.J, Leiman, P.G. | | 登録日 | 2018-10-15 | | 公開日 | 2019-10-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Structural basis for recognition of bacterial cell wall teichoic acid by pseudo-symmetric SH3b-like repeats of a viral peptidoglycan hydrolase
Chem Sci, 2020
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