5FZB
 
 | | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4-Pyridylthiourea (N06275b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | | 分子名称: | 1,2-ETHANEDIOL, 1-pyridin-4-ylthiourea, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | 登録日 | 2016-03-12 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4-Pyridylthiourea (N06275B) (Ligand Modelled Based on Pandda Event Map, Sgc -Diamond I04-1 Fragment Screening)
To be Published
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6T57
 | | Thrombin in Complex with a D-Phe-Pro-N-amidinopiperidine Derivative | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Ngo, K, Abazi, N, Heine, A, Klebe, G. | | 登録日 | 2019-10-15 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Thrombin in Complex with a D-Phe-Pro-N-amidinopiperidine Derivative
To Be Published
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8A9X
 | | Crystal structure of PulM C-ter domain | | 分子名称: | Type II secretion system protein M | | 著者 | Dazzoni, R, Li, Y, Lopez-Castilla, A, Brier, S, Mechaly, A, Cordier, F, Haouz, A, Nilges, M, Francetic, O, Bardiaux, B, Izadi-Pruneyre, N. | | 登録日 | 2022-06-29 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.523 Å) | | 主引用文献 | Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system.
Structure, 31, 2023
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8ASK
 | | Crystal structure of d(GCCCACCACGGC) | | 分子名称: | DNA (5'-D(P*GP*CP*CP*CP*AP*CP*CP*AP*CP*GP*GP*C)-3'), DNA (5'-D(P*GP*CP*CP*GP*TP*GP*GP*TP*GP*GP*GP*C)-3') | | 著者 | Sbirkova-Dimitrova, H.I, Shivachev, B.L, Rusev, R, Heroux, A, Doukov, T, Kuvandjiev, N. | | 登録日 | 2022-08-19 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.955 Å) | | 主引用文献 | Structural Characterization of Alzheimer DNA Promoter Sequences from the Amyloid Precursor Gene in the Presence of Thioflavin T and Analogs
Crystals, 12, 2022
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5Y97
 | | Crystal structure of snake gourd seed lectin in complex with lactose | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Seed lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Chandran, T, Vijayan, M, Sivaji, N, Surolia, A. | | 登録日 | 2017-08-23 | | 公開日 | 2018-08-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Ligand binding and retention in snake gourd seed lectin (SGSL). A crystallographic, thermodynamic and molecular dynamics study
Glycobiology, 28, 2018
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5FDA
 | | The high resolution structure of apo form dihydrofolate reductase from Yersinia pestis at 1.55 A | | 分子名称: | CHLORIDE ION, Dihydrofolate reductase | | 著者 | Chang, C, Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2015-12-15 | | 公開日 | 2015-12-30 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.549 Å) | | 主引用文献 | structure of dihydrofolate reductase from Yersinia pestis complex with
To Be Published
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5FDU
 | | Crystal structure of the Metalnikowin I antimicrobial peptide bound to the Thermus thermophilus 70S ribosome | | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A. | | 登録日 | 2015-12-16 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome.
Nucleic Acids Res., 44, 2016
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5FDF
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5YSR
 | | Ethanolamine ammonia-lyase, AdoCbl/2-amino-1-propanol | | 分子名称: | 5'-DEOXYADENOSINE, COBALAMIN, Ethanolamine ammonia-lyase heavy chain, ... | | 著者 | Shibata, N. | | 登録日 | 2017-11-14 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Direct Participation of a Peripheral Side Chain of a Corrin Ring in Coenzyme B12Catalysis.
Angew. Chem. Int. Ed. Engl., 57, 2018
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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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8AMP
 | | Crystal structure of M.tuberculosis ferredoxin Fdx | | 分子名称: | FE (III) ION, FE3-S4 CLUSTER, Possible ferredoxin | | 著者 | Bukhdruker, S, Kavaleuski, A, Marin, E, Kapranov, I, Mishin, A, 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 (2 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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8AMX
 | | AQP7 dimer of tetramers_D4 | | 分子名称: | Aquaporin-7 | | 著者 | Huang, P, Venskutonyte, R, Fan, X, Li, P, Yan, N, Gourdon, P, Lindkvist-Petersson, K. | | 登録日 | 2022-08-04 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | | 主引用文献 | Cryo-EM structure supports a role of AQP7 as a junction protein.
Nat Commun, 14, 2023
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5XXV
 | | GDP-microtubule complexed with KIF5C in AMPPNP state | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Morikawa, M, Shigematsu, H, Nitta, R, Hirokawa, N. | | 登録日 | 2017-07-05 | | 公開日 | 2018-10-10 | | 最終更新日 | 2019-11-06 | | 実験手法 | ELECTRON MICROSCOPY (6.46 Å) | | 主引用文献 | Kinesin-binding-triggered conformation switching of microtubules contributes to polarized transport
J. Cell Biol., 217, 2018
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8AMQ
 | | Crystal structure of the complex CYP143-FdxE from M. tuberculosis | | 分子名称: | FE3-S4 CLUSTER, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Bukhdruker, S, Varaksa, T, Smolskaya, S, Marin, E, Kapranov, I, Kovalev, K, 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 (1.6 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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6TN0
 | | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | | 分子名称: | 2,4-bis(oxidanyl)benzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | | 登録日 | 2019-12-05 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
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5FSJ
 | | Structure of thermolysin prepared by the 'soak-and-freeze' method under 45 bar of oxygen pressure | | 分子名称: | CALCIUM ION, LYSINE, OXYGEN MOLECULE, ... | | 著者 | Lafumat, B, Mueller-Dieckmann, C, Colloc'h, N, Prange, T, Royant, A, van der Linden, P, Carpentier, P. | | 登録日 | 2016-01-06 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.201 Å) | | 主引用文献 | Gas-Sensitive Biological Crystals Processed in Pressurized Oxygen and Krypton Atmospheres: Deciphering Gas Channels in Proteins Using a Novel `Soak-and-Freeze' Methodology.
J.Appl.Crystallogr., 49, 2016
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8AMW
 | | AQP7 dimer of tetramers_C1 | | 分子名称: | Aquaporin-7, GLYCEROL | | 著者 | Huang, P, Venskutonyte, R, Fan, X, Li, P, Yan, N, Gourdon, P, Lindkvist-Petersson, K. | | 登録日 | 2022-08-04 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Cryo-EM structure supports a role of AQP7 as a junction protein.
Nat Commun, 14, 2023
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6TN4
 | | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | | 分子名称: | 2,4-bis(oxidanyl)benzamide, CHLORIDE ION, Heat shock protein HSP 90-alpha | | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | | 登録日 | 2019-12-05 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.274 Å) | | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
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5FTC
 | | Crystal structure of Pif1 helicase from Bacteroides in complex with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, TPR DOMAIN PROTEIN | | 著者 | Chen, W.-F, Dai, Y.-X, Duan, X.-L, Liu, N.-N, Shi, W, Li, M, Dou, S.-X, Li, N, Dong, Y.-H, Rety, S, Xi, X.-G. | | 登録日 | 2016-01-12 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.269 Å) | | 主引用文献 | Crystal Structures of the Bspif1 Helicase Reveal that a Major Movement of the 2B SH3 Domain is Required for DNA Unwinding
Nucleic Acids Res., 44, 2016
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6TNS
 | | PI3K delta in complex with 2methoxyN[2methoxy5(7{[(2R)4(oxetan3 yl)morpholin2yl]methoxy}1,3dihydro2 benzofuran5yl)pyridin3yl]ethane1 sulfonamide | | 分子名称: | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | | 登録日 | 2019-12-10 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target.
J.Med.Chem., 63, 2020
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6TB1
 | | Crystal structure of thermostable omega transaminase 6-fold mutant from Pseudomonas jessenii | | 分子名称: | Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B. | | 登録日 | 2019-10-31 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Robust omega-Transaminases by Computational Stabilization of the Subunit Interface.
Acs Catalysis, 10, 2020
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7FCI
 | | human NTCP in complex with YN69083 Fab | | 分子名称: | Fab Heavy chain, Fab Light chain, Sodium/bile acid cotransporter | | 著者 | Park, J.H, Iwamoto, M, Yun, J.H, Uchikubo-Kamo, T, Son, D, Jin, Z, Yoshida, H, Ohki, M, Ishimoto, N, Mizutani, K, Oshima, M, Muramatsu, M, Wakita, T, Shirouzu, M, Liu, K, Uemura, T, Nomura, N, Iwata, S, Watashi, K, Tame, J.R.H, Nishizawa, T, Lee, W, Park, S.Y. | | 登録日 | 2021-07-14 | | 公開日 | 2022-05-25 | | 最終更新日 | 2022-07-13 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural insights into the HBV receptor and bile acid transporter NTCP.
Nature, 606, 2022
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6TS5
 | | Coagulation factor XI protease domain in complex with active site inhibitor | | 分子名称: | 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | | 著者 | Renatus, M, Schiering, N. | | 登録日 | 2019-12-20 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
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8AUG
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8AU9
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