6Y28
 
 | | Crystal structure of HLA-B2705 complexed with the nona-peptide mE | | 分子名称: | Beta-2-microglobulin, GLY-ARG-LEU-ASN-GLU-PRO-ILE-LYS-VAL, GLYCEROL, ... | | 著者 | Loll, B, Rueckert, C, Ziegler, B.-U, Ziegler, A. | | 登録日 | 2020-02-15 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | A CENTRAL PEPTIDE RESIDUE CAN CONTROL
MHC POLYMORPHISM-DEPENDENT ANTIGEN PRESENTATION
to be published
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8FLG
 | | Bruton's tyrosine kinase in complex with an orthosteric inhibitor | | 分子名称: | DIMETHYL SULFOXIDE, N~2~-(3-chlorophenyl)-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]glycinamide, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2022-12-21 | | 公開日 | 2023-03-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model.
Bioorg.Med.Chem.Lett., 80, 2023
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8FLH
 | | Bruton's tyrosine kinase in complex with an orthosteric inhibitor | | 分子名称: | 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2022-12-21 | | 公開日 | 2023-03-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model.
Bioorg.Med.Chem.Lett., 80, 2023
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6SES
 | | Tubulin-B2 complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Guo, B, Rodriguez-Gabin, A, Prota, A.E, Muehlethaler, T, Zhang, N, Ye, K, Steinmetz, M.O, Band Horwitz, S, Smith III, A.B, McDaid, H.M. | | 登録日 | 2019-07-30 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Refinement of the Tubulin Ligand (+)-Discodermolide to Attenuate Chemotherapy-Mediated Senescence.
Mol.Pharmacol., 98, 2020
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1AXE
 | | CRYSTAL STRUCTURE OF THE ACTIVE-SITE MUTANT PHE93->TRP OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH NAD AND INHIBITOR TRIFLUOROETHANOL | | 分子名称: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ... | | 著者 | Colby, T.D, Chin, J.K, Goldstein, B.M. | | 登録日 | 1997-10-15 | | 公開日 | 1998-04-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A link between protein structure and enzyme catalyzed hydrogen tunneling.
Proc.Natl.Acad.Sci.USA, 94, 1997
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7SRS
 | | 5-HT2B receptor bound to LSD in complex with beta-arrestin1 obtained by cryo-electron microscopy (cryoEM) | | 分子名称: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 2B, ... | | 著者 | Barros-Alvarez, X, Cao, C, Panova, O, Roth, B.L, Skiniotis, G. | | 登録日 | 2021-11-08 | | 公開日 | 2022-09-21 | | 最終更新日 | 2022-10-19 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Signaling snapshots of a serotonin receptor activated by the prototypical psychedelic LSD.
Neuron, 110, 2022
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7SRQ
 | | 5-HT2B receptor bound to LSD obtained by cryo-electron microscopy (cryoEM) | | 分子名称: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 2B | | 著者 | Barros-Alvarez, X, Cao, C, Panova, O, Roth, B.L, Skiniotis, G. | | 登録日 | 2021-11-08 | | 公開日 | 2022-09-21 | | 最終更新日 | 2022-10-19 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Signaling snapshots of a serotonin receptor activated by the prototypical psychedelic LSD.
Neuron, 110, 2022
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1AX6
 | | SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT OPPOSITE A-2 DELETION SITE IN THE NARI HOT SPOT SEQUENCE CONTEXT; NMR, 6 STRUCTURES | | 分子名称: | 2-AMINOFLUORENE, DNA DUPLEX D(CTCGGC-[AF]G-CCATC)D(GATGGCCGAG) | | 著者 | Mao, B, Gorin, A.A, Gu, Z, Hingerty, B.E, Broyde, S, Patel, D.J. | | 登録日 | 1997-10-30 | | 公開日 | 1998-07-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the aminofluorene-intercalated conformer of the syn [AF]-C8-dG adduct opposite a--2 deletion site in the NarI hot spot sequence context.
Biochemistry, 36, 1997
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1AXV
 | | SOLUTION NMR STRUCTURE OF THE [BP]DA ADDUCT OPPOSITE DT IN A DNA DUPLEX, 6 STRUCTURES | | 分子名称: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(CTCTC-[BP]A-CTTCC)D(GGAAGTGAGAG) | | 著者 | Mao, B, Gu, Z, Gorin, A.A, Chen, J, Hingerty, B.E, Amid, S, Broyde, S, Geacintov, N.E, Patel, D.J. | | 登録日 | 1997-10-21 | | 公開日 | 1998-07-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the (+)-cis-anti-benzo[a]pyrene-dA ([BP]dA) adduct opposite dT in a DNA duplex.
Biochemistry, 38, 1999
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7AKJ
 | | Structure of the SARS-CoV spike glycoprotein in complex with the 47D11 neutralizing antibody Fab fragment | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Fedry, J, Hurdiss, D.L, Wang, C, Li, W, Obal, G, Drulyte, I, Howes, S.C, van Kuppeveld, F.J.M, Foerster, F, Bosch, B.J. | | 登録日 | 2020-10-01 | | 公開日 | 2021-05-19 | | 最終更新日 | 2021-06-16 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structural insights into the cross-neutralization of SARS-CoV and SARS-CoV-2 by the human monoclonal antibody 47D11.
Sci Adv, 7, 2021
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5I5A
 | | quasi racemic structure of allo-Ile7-ShK and D-ShK | | 分子名称: | D-MALATE, D-ShK, GLYCEROL, ... | | 著者 | Dang, B, Kubota, T, Mandal, K, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H. | | 登録日 | 2016-02-14 | | 公開日 | 2017-01-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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7AIO
 | | Structure of Human Potassium Chloride Transporter KCC3 S45D/T940D/T997D in NaCl (Subclass) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L, Structural Genomics Consortium (SGC) | | 登録日 | 2020-09-28 | | 公開日 | 2021-06-02 | | 最終更新日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | | 主引用文献 | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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8A99
 | | SARS Cov2 Spike in 1-up conformation complex with Fab47 | | 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, Fab47 (Heavy chain variable domain), ... | | 著者 | Hallberg, B.M, Das, H. | | 登録日 | 2022-06-28 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Immunoglobulin germline gene polymorphisms influence the function of SARS-CoV-2 neutralizing antibodies.
Immunity, 56, 2023
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7QHB
 | | Active state of GluA1/2 in complex with TARP gamma 8, L-glutamate and CTZ | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, CYCLOTHIAZIDE, ... | | 著者 | Herguedas, B, Kohegyi, B, Zhang, D, Greger, I.H. | | 登録日 | 2021-12-11 | | 公開日 | 2022-02-23 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Mechanisms underlying TARP modulation of the GluA1/2-gamma 8 AMPA receptor.
Nat Commun, 13, 2022
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7O2L
 | | Yeast 20S proteasome in complex with the covalently bound inhibitor b-lactone (2R,3S)-3-isopropyl-4-oxo-2-oxetane-carboxylate (IOC) | | 分子名称: | (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid, 20S proteasome, BJ4_G0020160.mRNA.1.CDS.1, ... | | 著者 | Shi, Y.M, Hirschmann, M, Shi, Y.N, Shabbir, A, Abebew, D, Tobias, N.J, Gruen, P, Crames, J.J, Poeschel, L, Kuttenlochner, W, Richter, C, Herrmann, J, Mueller, R, Thanwisai, A, Pidot, S.J, Stinear, T.P, Groll, M, Kim, Y, Bode, H. | | 登録日 | 2021-03-30 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Global analysis of biosynthetic gene clusters reveals conserved and unique natural products in entomopathogenic nematode-symbiotic bacteria.
Nat.Chem., 14, 2022
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1BIW
 | | DESIGN AND SYNTHESIS OF CONFORMATIONALLY-CONSTRAINED MMP INHIBITORS | | 分子名称: | CALCIUM ION, N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-2-OXO-AZEPAN-3-YL]-SUCCINAMIDE, PROTEIN (STROMELYSIN-1 COMPLEX), ... | | 著者 | Natchus, M.G, Cheng, M, Wahl, C.T, Pikul, S, Almstead, N.G, Bradley, R.S, Taiwo, Y.O, Mieling, G.E, Dunaway, C.M, Snider, C.E, McIver, J.M, Barnett, B.L, McPhail, S.J, Anastasio, M.B, De, B. | | 登録日 | 1998-06-19 | | 公開日 | 1999-07-16 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Design and synthesis of conformationally-constrained MMP inhibitors.
Bioorg.Med.Chem.Lett., 8, 1998
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6SMN
 | | A. thaliana serine hydroxymethyltransferase isoform 2 (AtSHMT2) in complex with methotrexate | | 分子名称: | 1,2-ETHANEDIOL, METHOTREXATE, SERINE, ... | | 著者 | Ruszkowski, M, Sekula, B, Dauter, Z. | | 登録日 | 2019-08-22 | | 公開日 | 2020-01-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
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6PET
 | | Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha | | 分子名称: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, CHLORIDE ION, ... | | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Wang, X, Zbieg, J, Labadie, S.S, Zhang, B, Li, J, Liang, W. | | 登録日 | 2019-06-20 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.203 Å) | | 主引用文献 | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019
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7SM5
 | | [T:Ag+/Ag+:T--pH 11] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution | | 分子名称: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | 著者 | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | 登録日 | 2021-10-25 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (4.84 Å) | | 主引用文献 | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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6MAG
 | | native BbvCI B2 dimer in space group C222 | | 分子名称: | ACETATE ION, BbvCI endonuclease subunit 2, GLYCEROL, ... | | 著者 | Shen, B.W, Stoddard, B.L. | | 登録日 | 2018-08-27 | | 公開日 | 2018-11-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI.
Nucleic Acids Res., 47, 2019
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7SM6
 | | [U:Hg2+/Hg2+:U--pH 8.5] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution | | 分子名称: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | 著者 | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | 登録日 | 2021-10-25 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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7SM9
 | | [U:Hg2+/Ag+:U--pH 10] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution | | 分子名称: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | 著者 | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | 登録日 | 2021-10-25 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.24 Å) | | 主引用文献 | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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7SM8
 | | [U:Hg2+/Ag+:U--pH 9.5] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution | | 分子名称: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | 著者 | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | 登録日 | 2021-10-25 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.62 Å) | | 主引用文献 | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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7SR4
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6MDT
 | | Crystal structure of the B41 SOSIP.664 Env trimer with PGT124 and 35O22 Fabs, in P63 space group | | 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, 35O22 Fab heavy chain, ... | | 著者 | Kumar, S, Sarkar, A, Wilson, I.A. | | 登録日 | 2018-09-05 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.816 Å) | | 主引用文献 | Capturing the inherent structural dynamics of the HIV-1 envelope glycoprotein fusion peptide.
Nat Commun, 10, 2019
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