8QBJ
 
 | | Structure of mBaoJin at pH 4.6 | | 分子名称: | CHLORIDE ION, mBaoJin | | 著者 | Samygina, V.R, Vlaskina, A.V, Gabdulkhakov, A, Subach, O.M, Subach, F.V. | | 登録日 | 2023-08-24 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Bright and stable monomeric green fluorescent protein derived from StayGold.
Nat.Methods, 21, 2024
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6PYR
 | | Human PI3Kdelta in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one) | | 分子名称: | (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Lesburg, C.A, Augustin, M.A. | | 登録日 | 2019-07-30 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow.
Bioorg.Med.Chem.Lett., 29, 2019
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7OM3
 | | Crystal structure of KOD DNA Polymerase in a binary complex with Hypoxanthine containing template | | 分子名称: | 1,2-ETHANEDIOL, 21nt Template, BROMIDE ION, ... | | 著者 | Betz, K, Kropp, H.M, Diederichs, K, Marx, A. | | 登録日 | 2021-05-21 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structural Basis for The Recognition of Deaminated Nucleobases by An Archaeal DNA Polymerase.
Chembiochem, 22, 2021
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4YUN
 | | Multiconformer synchrotron model of CypA at 310 K | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | | 登録日 | 2015-03-18 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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5N17
 | | First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 3) | | 分子名称: | (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide, Bromodomain-containing factor 1, SULFATE ION | | 著者 | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvon, M, d'Enfer, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | | 登録日 | 2017-02-05 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
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5N1D
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6ZI0
 | | Crystal structure of the isolated H. influenzae VapD toxin (wildtype) | | 分子名称: | Endoribonuclease VapD | | 著者 | Bertelsen, M.B, Senissar, M, Nielsen, M.H, Bisiak, F, Cunha, M.V, Molinaro, A.L, Daines, D.A, Brodersen, D.E. | | 登録日 | 2020-06-24 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Basis for Toxin Inhibition in the VapXD Toxin-Antitoxin System.
Structure, 29, 2021
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8QOT
 | | Structure of the mu opioid receptor bound to the antagonist nanobody NbE | | 分子名称: | Anti-Fab Nanobody, Mu-type opioid receptor, NabFab HC, ... | | 著者 | Yu, J, Kumar, A, Zhang, X, Martin, C, Raia, P, Manglik, A, Ballet, S, Boland, A, Stoeber, M. | | 登録日 | 2023-09-29 | | 公開日 | 2023-12-27 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural Basis of mu-Opioid Receptor-Targeting by a Nanobody Antagonist.
Biorxiv, 2023
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5NJ1
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8QK8
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6PTE
 | | Crystal Structure of ILNAMITKI peptide bound to HLA-A2 | | 分子名称: | Beta-2-microglobulin, GLYCEROL, HAUS augmin-like complex subunit 3, ... | | 著者 | Smith, A.R, Arbuiso, A, Keller, G.L.J, Baker, B.M. | | 登録日 | 2019-07-15 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | Structure Based Prediction of Neoantigen Immunogenicity.
Front Immunol, 10, 2019
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8QDD
 | | Structure of mBaoJin at pH 8.5 | | 分子名称: | CHLORIDE ION, SULFATE ION, mBaoJin | | 著者 | Samygina, V.R, Vlaskina, A.V, Gabdulkhakov, A, Subach, O.M, Subach, F.V. | | 登録日 | 2023-08-28 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Bright and stable monomeric green fluorescent protein derived from StayGold.
Nat.Methods, 21, 2024
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8QH6
 | | Crystal structure of IpgC in complex with a follow-up compound based on J20 | | 分子名称: | 3-azanyl-6-chloranyl-isoindol-1-one, CHLORIDE ION, Chaperone protein IpgC, ... | | 著者 | Wallbaum, J.E, Heine, A, Reuter, K. | | 登録日 | 2023-09-06 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC.
Acs Omega, 8, 2023
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6Z9E
 | | 1.55 A structure of human apoferritin obtained from data subset of Titan Mono-BCOR microscope | | 分子名称: | Ferritin heavy chain, SODIUM ION | | 著者 | Yip, K.M, Fischer, N, Paknia, E, Chari, A, Stark, H. | | 登録日 | 2020-06-03 | | 公開日 | 2020-06-24 | | 最終更新日 | 2021-02-10 | | 実験手法 | ELECTRON MICROSCOPY (1.55 Å) | | 主引用文献 | Atomic-resolution protein structure determination by cryo-EM.
Nature, 587, 2020
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6PVF
 | | Crystal structure of PhqK in complex with malbrancheamide B | | 分子名称: | (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Fraley, A.E, Smith, J.L, Sherman, D.H. | | 登録日 | 2019-07-20 | | 公開日 | 2020-01-22 | | 最終更新日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
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6PVH
 | | Crystal structure of PhqK in complex with paraherquamide K | | 分子名称: | (7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Fraley, A.E, Smith, J.L, Sherman, D.H. | | 登録日 | 2019-07-20 | | 公開日 | 2020-01-22 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
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6PW2
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7TRB
 | | CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE | | 分子名称: | (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, Bile acid receptor, co-activator | | 著者 | Khan, J.A, Ruzanov, M. | | 登録日 | 2022-01-28 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
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6ZCM
 | | Crystal structure of YTHDC1 with compound DHU_DC1_180 | | 分子名称: | 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | 登録日 | 2020-06-11 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
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7U0K
 | | IOMA class antibody Fab ACS124 | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, IOMA Class antibody ACS124 Heavy chain, IOMA Class antibody ACS124 Light chain | | 著者 | Farokhi, E, Stanfield, R.L, Wilson, I.A. | | 登録日 | 2022-02-18 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Identification of IOMA-class neutralizing antibodies targeting the CD4-binding site on the HIV-1 envelope glycoprotein.
Nat Commun, 13, 2022
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6NPQ
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5NME
 | | 868 TCR in complex with HLA A02 presenting SLYNTVATL | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | 登録日 | 2017-04-05 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | Dual Molecular Mechanisms Govern Escape at Immunodominant HLA A2-Restricted HIV Epitope.
Front Immunol, 8, 2017
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7TGV
 | | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B2 | | 分子名称: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[([1,1'-biphenyl]-4-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | 著者 | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | | 登録日 | 2022-01-09 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
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8U48
 | | Crystal structure of Bacteroides thetaiotamicron BT1285 D161A-E163A inactive Endoglycosidase in complex with high-mannose N-glycan (Man9GlcNAc2) substrate | | 分子名称: | Endo-beta-N-acetylglucosaminidase, PHOSPHATE ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Sastre, D.E, Sultana, N, Navarro, M.V.A.S, Sundberg, E.J. | | 登録日 | 2023-09-09 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate.
Nat Commun, 15, 2024
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6ZD5
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