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1V2U
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BU of 1v2u by Molmil
Benzamidine in complex with bovine trypsin varinat X(SSAI)bT.D1
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
5WIT
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BU of 5wit by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with pikromycin and bound to mRNA and A-, P- and E-site tRNAs at 2.6A resolution
分子名称: (3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
著者Almutairi, M.M, Svetlov, M.S, Hansen, D.A, Khabibullina, N.F, Klepacki, D, Kang, H.Y, Sherman, D.H, Vazquez-Laslop, N, Polikanov, Y.S, Mankin, A.S.
登録日2017-07-20
公開日2018-02-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Co-produced natural ketolides methymycin and pikromycin inhibit bacterial growth by preventing synthesis of a limited number of proteins.
Nucleic Acids Res., 45, 2017
5ZIT
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BU of 5zit by Molmil
Crystal structure of human Enterovirus D68 RdRp in complex with NADPH
分子名称: DI(HYDROXYETHYL)ETHER, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, RdRp
著者Wang, M.L, Li, L, Chen, Y.P, Jiang, H, Zhang, Y, Su, D.
登録日2018-03-17
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.196 Å)
主引用文献Structure of the enterovirus D68 RNA-dependent RNA polymerase in complex with NADPH implicates an inhibitor binding site in the RNA template tunnel.
J.Struct.Biol., 2020
6NB8
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BU of 6nb8 by Molmil
Crystal structure of anti- SARS-CoV human neutralizing S230 antibody Fab fragment
分子名称: S230 antigen-binding (Fab) fragment, heavy chain, light chain
著者Walls, A.J, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, J, Quispe, J, Cameroni, E, Gopal, R, Dai, M, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-12-06
公開日2019-02-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
1V2V
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BU of 1v2v by Molmil
Benzamidine in complex with bovine trypsin variant X(SSAI)bT.C1
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
8ERR
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BU of 8err by Molmil
SARS-CoV-2 Omicron BA.1 spike ectodomain trimer in complex with the S2X324 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, S2X324 heavy chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-10-12
公開日2022-10-26
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Imprinted antibody responses against SARS-CoV-2 Omicron sublineages.
Science, 378, 2022
8ERQ
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BU of 8erq by Molmil
SARS-CoV-2 BA.1 spike ectodomain trimer in complex with the S2X324 neutralizing antibody Fab fragment (local refinement of the RBD and S2X324)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2X324 Fab heavy chain, S2X324 Fab light chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-10-12
公開日2022-10-26
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Imprinted antibody responses against SARS-CoV-2 Omicron sublineages.
Science, 378, 2022
1V2K
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BU of 1v2k by Molmil
Factor XA specific Inhibitor in complex with bovine trypsin variant X(triple.Glu)bT.D2
分子名称: CALCIUM ION, SULFATE ION, Trypsin, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2Q
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BU of 1v2q by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSWI)bT.B4
分子名称: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2T
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BU of 1v2t by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSFI.Glu)bT.B4
分子名称: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
6M2K
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BU of 6m2k by Molmil
Uncommon structural features of rabbit MHC class I (RLA-A1) complexed with rabbit haemorrhagic disease virus (RHDV) derived peptide, VP60-10
分子名称: Beta-2-microglobulin, RLA class I histocompatibility antigen, alpha chain 19-1, ...
著者Zhang, Q.X, Liu, K.F, Yue, C, Zhang, D, Lu, D, Xiao, W.L, Liu, P.P, Zhao, Y.Z, Gao, G.L, Ding, C.M, Lyu, J.X, Liu, W.J.
登録日2020-02-27
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Strict Assembly Restriction of Peptides from Rabbit Hemorrhagic Disease Virus Presented by Rabbit Major Histocompatibility Complex Class I Molecule RLA-A1.
J.Virol., 94, 2020
1V2R
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BU of 1v2r by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSRI)bT.B4
分子名称: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2L
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BU of 1v2l by Molmil
Benzamidine in complex with bovine trypsin variant X(triple.Glu)bT.D1
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2P
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BU of 1v2p by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSYI)bT.A4
分子名称: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2W
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BU of 1v2w by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSAI)bT.B4
分子名称: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
5KO0
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BU of 5ko0 by Molmil
Human Islet Amyloid Polypeptide Segment 15-FLVHSSNNFGA-25 Determined by MicroED
分子名称: THIOCYANATE ION, hIAPP(15-25)WT
著者Krotee, P.A.L, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Shi, D, Nannenga, B.L, Hattne, J, Reyes, F.E, Gonen, T, Eisenberg, D.S.
登録日2016-06-28
公開日2016-12-21
最終更新日2024-03-06
実験手法ELECTRON CRYSTALLOGRAPHY (1.4 Å)
主引用文献Atomic structures of fibrillar segments of hIAPP suggest tightly mated beta-sheets are important for cytotoxicity.
Elife, 6, 2017
6O20
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BU of 6o20 by Molmil
Cryo-EM structure of TRPV5 with calmodulin bound
分子名称: CALCIUM ION, Calmodulin, Transient receptor potential cation channel subfamily V member 5
著者Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J.
登録日2019-02-22
公開日2019-04-24
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insight into TRPV5 channel function and modulation.
Proc.Natl.Acad.Sci.USA, 116, 2019
7XRP
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BU of 7xrp by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with nanobody C5G2 (localized refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C5G2 nanobody, Spike protein S1
著者Liu, L, Sun, H, Jiang, Y, Liu, X, Zhao, D, Zheng, Q, Li, S, Xia, N.
登録日2022-05-11
公開日2022-10-05
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献A potent synthetic nanobody with broad-spectrum activity neutralizes SARS-CoV-2 virus and the Omicron variant BA.1 through a unique binding mode.
J Nanobiotechnology, 20, 2022
5KNZ
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BU of 5knz by Molmil
Human Islet Amyloid Polypeptide Segment 19-SGNNFGAILSS-29 with Early Onset S20G Mutation Determined by MicroED
分子名称: hIAPP(residues 19-29)S20G
著者Krotee, P.A.L, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Shi, D, Nannenga, B.L, Hattne, J, Reyes, F.E, Gonen, T, Eisenberg, D.S.
登録日2016-06-28
公開日2016-12-21
最終更新日2024-03-06
実験手法ELECTRON CRYSTALLOGRAPHY (1.9 Å)
主引用文献Atomic structures of fibrillar segments of hIAPP suggest tightly mated beta-sheets are important for cytotoxicity.
Elife, 6, 2017
1HTT
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BU of 1htt by Molmil
HISTIDYL-TRNA SYNTHETASE
分子名称: ADENOSINE MONOPHOSPHATE, HISTIDINE, HISTIDYL-TRNA SYNTHETASE
著者Arnez, J.G, Harris, D.C, Mitschler, A, Rees, B, Francklyn, C.S, Moras, D.
登録日1996-03-09
公開日1997-01-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of histidyl-tRNA synthetase from Escherichia coli complexed with histidyl-adenylate.
EMBO J., 14, 1995
1VTQ
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BU of 1vtq by Molmil
THREE-DIMENSIONAL STRUCTURE OF YEAST T-RNA-ASP. I. STRUCTURE DETERMINATION
分子名称: T-RNA-ASP
著者Comarmond, M.B, Giege, R, Thierry, J.C, Moras, D, Fischer, J.
登録日1985-06-11
公開日2011-07-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Three-Dimensional Structure of Yeast T-RNA-ASP. I. Structure Determination
Acta Crystallogr.,Sect.B, 42, 1986
5A5Z
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BU of 5a5z by Molmil
Approved Drugs Containing Thiols as Inhibitors of Metallo-beta- lactamases: Strategy To Combat Multidrug-Resistant Bacteria
分子名称: BETA-LACTAMASE NDM-1, TIOPRONIN, ZINC ION
著者Klingler, F.M, Wichelhaus, T.A, Frank, D, Cuesta-Bernal, J, El-Delik, J, Mueller, H.F, Sjuts, H, Goettig, S, Koenigs, A, Pogoryelov, D, Proschak, E.
登録日2015-06-23
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Approved Drugs Containing Thiols as Inhibitors of Metallo-beta-lactamases: Strategy To Combat Multidrug-Resistant Bacteria.
J. Med. Chem., 58, 2015
7UCX
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BU of 7ucx by Molmil
LRP8 11H1 Fab complexed to a cyclized CR1 peptide
分子名称: 11H1 Fab Heavy chain, 11H1 Fab Light chain, Cyclized CR1 peptide, ...
著者Argiriadi, M.A, Deng, K, Egan, D, Gao, L, Gizatullin, F, Harlan, J, Karaoglu, D, Qiu, W, Goodearl, A.
登録日2022-03-17
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The use of cyclic peptide antigens to generate LRP8 specific antibodies
Front Drug Discov (Lausanne), 2, 2023
2MLT
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BU of 2mlt by Molmil
MELITTIN
分子名称: MELITTIN, SULFATE ION
著者Eisenberg, D, Gribskov, M, Terwilliger, T.C.
登録日1990-10-04
公開日1990-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献
To be Published
5ARG
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BU of 5arg by Molmil
SMYD2 in complex with SGC probe BAY-598
分子名称: GLYCEROL, N-LYSINE METHYLTRANSFERASE SMYD2, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ...
著者Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H.
登録日2015-09-24
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016

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