6FHW
 
 | | Structure of Hormoconis resinae Glucoamylase | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | 著者 | Roth, C, Moroz, O.V, Ariza, A, Friis, E.P, Davies, G.J, Wilson, K.S. | | 登録日 | 2018-01-15 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Structural insight into industrially relevant glucoamylases: flexible positions of starch-binding domains.
Acta Crystallogr D Struct Biol, 74, 2018
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9CK5
 | | Anthoceros agrestis Rubisco assembled with RbcX1, RbcX2, Raf1, Raf2 and BSD2 | | 分子名称: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RuBisCO large subunit, ... | | 著者 | Ang, W.S.L, Oh, Z.G, Li, F.W, Gunn, L.H. | | 登録日 | 2024-07-08 | | 公開日 | 2024-11-13 | | 最終更新日 | 2024-12-11 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Unique biogenesis and kinetics of hornwort Rubiscos revealed by synthetic biology systems.
Mol Plant, 17, 2024
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9CJ2
 | | Dual phosphorylated human p38 alpha | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Mitogen-activated protein kinase 14 | | 著者 | Stadnicki, E.J, Ludewig, H, Prem Kumar, R, Kern, D, Bradshaw, N. | | 登録日 | 2024-07-05 | | 公開日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Dual-Action Kinase Inhibitors Influence p38 alpha MAP Kinase Dephosphorylation.
Biorxiv, 2024
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5JSM
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8SJ9
 | | Crystal structure of the H1 hemagglutinin COBRA X6 | | 分子名称: | 1,2-ETHANEDIOL, 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 | Dzimianski, J.V, DuBois, R.M. | | 登録日 | 2023-04-17 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Structural basis for the broad antigenicity of the computationally optimized influenza hemagglutinin X6.
Structure, 32, 2024
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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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7RFU
 | | 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-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Greasley, S.E, 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 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.498 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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7RSV
 | | Structure of the VPS34 kinase domain with compound 5 | | 分子名称: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-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 (1.78 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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5NA0
 | | TTK kinase domain in complex with a PEG-linked pyrimido-indolizine | | 分子名称: | Dual specificity protein kinase TTK, ~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide | | 著者 | Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R. | | 登録日 | 2017-02-27 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
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8AX2
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8IUE
 | | RNA polymerase III pre-initiation complex melting complex 1 | | 分子名称: | DNA (74-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | 著者 | Hou, H, Jin, Q, Ren, Y, Wang, Q, Xu, Y. | | 登録日 | 2023-03-24 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Structure of the SNAPc-bound RNA polymerase III preinitiation complex.
Cell Res., 33, 2023
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8AY0
 | | Crystal Structure of the peptide binding protein DppE from Bacillus subtilis in complex with murein tripeptide | | 分子名称: | 1,2-ETHANEDIOL, Dipeptide-binding protein DppE, L-ALA-GAMMA-D-GLU-MESO-DIAMINOPIMELIC ACID, ... | | 著者 | Hughes, A.M, Dodson, E.J, Wilkinson, A.J. | | 登録日 | 2022-09-01 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Peptide transport in Bacillus subtilis - structure and specificity in the extracellular solute binding proteins OppA and DppE.
Microbiology (Reading, Engl.), 168, 2022
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8IUH
 | | RNA polymerase III pre-initiation complex open complex 1 | | 分子名称: | DNA (81-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | 著者 | Hou, H, Jin, Q, Ren, Y, Wang, Q, Xu, Y. | | 登録日 | 2023-03-24 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structure of the SNAPc-bound RNA polymerase III preinitiation complex.
Cell Res., 33, 2023
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9B3X
 | | Rat TRPV2 E724A/D725A bound to 2-APB | | 分子名称: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2 | | 著者 | Pumroy, R.A, Rocereta, J.A, Moiseenkova-Bell, V.Y. | | 登録日 | 2024-03-20 | | 公開日 | 2025-02-26 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural insights into TRPV2 modulation by probenecid.
Nat.Struct.Mol.Biol., 32, 2025
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8ITY
 | | human RNA polymerase III pre-initiation complex closed DNA 1 | | 分子名称: | DNA (82-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | 著者 | Hou, H, Jin, Q, Ren, Y, Wang, Q, Xu, Y. | | 登録日 | 2023-03-23 | | 公開日 | 2023-06-07 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Structure of the SNAPc-bound RNA polymerase III preinitiation complex.
Cell Res., 33, 2023
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8DC6
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8AWZ
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9ETY
 | | KEAP1 in complex with compound 25 | | 分子名称: | 1,2-ETHANEDIOL, 2-[[5-[(2~{R})-2,4-dimethyl-3-oxidanylidene-piperazin-1-yl]-2,3-dihydro-1,3-thiazol-4-yl]sulfonyl]benzenecarbonitrile, Kelch-like ECH-associated protein 1, ... | | 著者 | Richardson, W, Bullock, A.N, Rothweiler, E.M, Manning, C.E, Sweeney, M.N, Chalk, R, Huber, K.V.M. | | 登録日 | 2024-03-27 | | 公開日 | 2024-12-11 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Covalent Inhibitors of KEAP1 with Exquisite Selectivity.
J.Med.Chem., 67, 2024
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8IVG
 | | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease | | 分子名称: | (3S)-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Kelch-like ECH-associated protein 1, ... | | 著者 | Otake, K, Ubukata, M, Nagahashi, N, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. | | 登録日 | 2023-03-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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5NGZ
 | | Ube2T in complex with fragment EM04 | | 分子名称: | 1-(1,3-benzothiazol-2-yl)methanamine, Ubiquitin-conjugating enzyme E2 T | | 著者 | Morreale, F.E, Bortoluzzi, A, Chaugule, V.K, Arkinson, C, Walden, H, Ciulli, A. | | 登録日 | 2017-03-21 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Allosteric Targeting of the Fanconi Anemia Ubiquitin-Conjugating Enzyme Ube2T by Fragment Screening.
J. Med. Chem., 60, 2017
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9ETW
 | | BTB domain of KLHL26 | | 分子名称: | 1,2-ETHANEDIOL, Kelch-like protein 26 | | 著者 | Richardson, W, Bullock, A.N, Rothweiler, E.M, Manning, C.E, Sweeney, M.N, Chalk, R, Huber, K.V.M. | | 登録日 | 2024-03-27 | | 公開日 | 2024-12-11 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Covalent Inhibitors of KEAP1 with Exquisite Selectivity.
J.Med.Chem., 67, 2024
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8EYB
 | | Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with JAK2 activation loop phosphopeptide | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein kinase JAK2 activation loop phosphopeptide, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Morris, R, Kershaw, N.J, Babon, J.J. | | 登録日 | 2022-10-26 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.349 Å) | | 主引用文献 | Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
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5NJF
 | | E. coli Microcin-processing metalloprotease TldD/E (TldD H262A mutant) with pentapeptide bound | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALA-ALA-ALA-ALA-ALA, ... | | 著者 | Ghilarov, D, Serebryakova, M, Stevenson, C.E.M, Hearnshaw, S.J, Volkov, D, Maxwell, A, Lawson, D.M, Severinov, K. | | 登録日 | 2017-03-28 | | 公開日 | 2017-10-04 | | 最終更新日 | 2025-10-01 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | The Origins of Specificity in the Microcin-Processing Protease TldD/E.
Structure, 25, 2017
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8JD5
 | | Cryo-EM structure of Gi1-bound mGlu2-mGlu4 heterodimer | | 分子名称: | 1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine, ... | | 著者 | Wang, X, Wang, M, Xu, T, Feng, Y, Han, S, Zhao, Q, Wu, B. | | 登録日 | 2023-05-12 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural insights into dimerization and activation of the mGlu2-mGlu3 and mGlu2-mGlu4 heterodimers.
Cell Res., 33, 2023
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6RN9
 | | DPP1 in complex with inhibitor | | 分子名称: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide, 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 | Kack, H. | | 登録日 | 2019-05-08 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines.
Acs Med.Chem.Lett., 10, 2019
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