6CXA
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6Q0N
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![BU of 6q0n by Molmil](/molmil-images/mine/6q0n) | Structure of the Erbin PDB domain in complex with a high-affinity peptide | 分子名称: | Erbin, peptide | 著者 | Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S. | 登録日 | 2019-08-02 | 公開日 | 2019-11-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities. Protein Sci., 29, 2020
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6TTZ
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![BU of 6ttz by Molmil](/molmil-images/mine/6ttz) | Structure of the ClpP:ADEP4-complex from Staphylococcus aureus (open state) | 分子名称: | ATP-dependent Clp protease proteolytic subunit, N-[(2S)-3-(3,5-difluorophenyl)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide | 著者 | Malik, I.T, Pereira, R, Vielberg, M.-T, Mayer, C, Straetener, J, Thomy, D, Famulla, K, Castro, H.C, Sass, P, Groll, M, Broetz-Oesterheldt, H. | 登録日 | 2019-12-30 | 公開日 | 2020-03-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Functional Characterisation of ClpP Mutations Conferring Resistance to Acyldepsipeptide Antibiotics in Firmicutes. Chembiochem, 21, 2020
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7ALE
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![BU of 7ale by Molmil](/molmil-images/mine/7ale) | Crystal structure of human PAICS in complex with inhibitor 69 | 分子名称: | (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide, Multifunctional protein ADE2 | 著者 | Skerlova, J, Marttila, P, Unterlass, J, Jemth, A.-S, Henriksson, M, Wakchaure, P, Grube, M, Warpman Berglund, U, Homan, E, Helleday, T, Stenmark, P. | 登録日 | 2020-10-06 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Cellular and biochemical validation of a potent PAICS inhibitor To Be Published
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4A31
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![BU of 4a31 by Molmil](/molmil-images/mine/4a31) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | 分子名称: | 6-{[2-(4-METHYLPIPERAZIN-1-YL)ETHYL]AMINO}-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)PYRIDINE-3-SULFONAMIDE, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | 著者 | Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H. | 登録日 | 2011-09-29 | 公開日 | 2011-12-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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7AZS
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![BU of 7azs by Molmil](/molmil-images/mine/7azs) | 70S thermus thermophilus ribosome with bound antibiotic lead SEQ-569 | 分子名称: | (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ... | 著者 | Jenner, L.B, Yusupov, M, Yusupova, G, Rak, A. | 登録日 | 2020-11-17 | 公開日 | 2022-06-08 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents. Cell, 186, 2023
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4A32
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![BU of 4a32 by Molmil](/molmil-images/mine/4a32) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | 分子名称: | 3,5-DICHLORO-3'-[(DIETHYLAMINO)METHYL]-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BIPHENYL-4-SULFONAMIDE, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | 著者 | Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H. | 登録日 | 2011-09-29 | 公開日 | 2011-12-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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6Q0U
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![BU of 6q0u by Molmil](/molmil-images/mine/6q0u) | Structure of the Erbin PDZ variant E-6a with a high-affinity C-terminal peptide | 分子名称: | 1,2-ETHANEDIOL, Erbin, peptide | 著者 | Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S. | 登録日 | 2019-08-02 | 公開日 | 2019-11-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities. Protein Sci., 29, 2020
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6Q0M
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![BU of 6q0m by Molmil](/molmil-images/mine/6q0m) | Structure of Erbin PDZ derivative E-14 with a high-affinity peptide | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S. | 登録日 | 2019-08-02 | 公開日 | 2019-11-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities. Protein Sci., 29, 2020
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6HH3
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![BU of 6hh3 by Molmil](/molmil-images/mine/6hh3) | ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae in complex with ADP-HPD | 分子名称: | 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, ADP-ribosylhydrolase like 2, GLYCEROL, ... | 著者 | Ariza, A. | 登録日 | 2018-08-24 | 公開日 | 2018-11-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | (ADP-ribosyl)hydrolases: Structural Basis for Differential Substrate Recognition and Inhibition. Cell Chem Biol, 25, 2018
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6CWB
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![BU of 6cwb by Molmil](/molmil-images/mine/6cwb) | Structure of alpha-GSA[8,4P] bound by CD1d and in complex with the Va14Vb8.2 TCR | 分子名称: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-[(1E)-4-phenylbutylidene]-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name), 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 | Wang, J, Zajonc, D. | 登録日 | 2018-03-30 | 公開日 | 2019-04-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6HKM
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![BU of 6hkm by Molmil](/molmil-images/mine/6hkm) | Crystal structure of Compound 1 with ERK5 | 分子名称: | Mitogen-activated protein kinase 7, [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone | 著者 | Nguyen, D, Lemos, C, Wortmann, L, Eis, K, Holton, S.J, Boemer, U, Lechner, C, Prechtl, S, Suelze, D, Siegel, F, Prinz, F, Lesche, R, Nicke, B, Mumberg, D, Bauser, M, Haegebarth, A. | 登録日 | 2018-09-07 | 公開日 | 2019-02-27 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5. J. Med. Chem., 62, 2019
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8SWK
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![BU of 8swk by Molmil](/molmil-images/mine/8swk) | Cryo-EM structure of NLRP3 closed hexamer | 分子名称: | 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ... | 著者 | Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S. | 登録日 | 2023-05-18 | 公開日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (4.32 Å) | 主引用文献 | Cryo-EM structures of NLRP3 reveal its self-activation mechanism Nat Commun, 2024
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6X20
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6SST
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![BU of 6sst by Molmil](/molmil-images/mine/6sst) | cryo-em structure of alpha-synuclein fibril polymorph 2B | 分子名称: | Alpha-synuclein | 著者 | Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H. | 登録日 | 2019-09-09 | 公開日 | 2019-12-18 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy. Elife, 8, 2019
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6HXT
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8SXN
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![BU of 8sxn by Molmil](/molmil-images/mine/8sxn) | Structure of NLRP3 and NEK7 complex | 分子名称: | 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ... | 著者 | Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S. | 登録日 | 2023-05-22 | 公開日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (4.04 Å) | 主引用文献 | Cryo-EM structures of NLRP3 reveal its self-activation mechanism Nat Commun, 2024
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8SWF
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![BU of 8swf by Molmil](/molmil-images/mine/8swf) | Cryo-EM structure of NLRP3 open octamer | 分子名称: | NACHT, LRR and PYD domains-containing protein 3 | 著者 | Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S. | 登録日 | 2023-05-18 | 公開日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | 主引用文献 | Cryo-EM structures of NLRP3 reveal its self-activation mechanism Nat Commun, 2024
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8SNI
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![BU of 8sni by Molmil](/molmil-images/mine/8sni) | Hydroxynitrile Lyase from Hevea brasiliensis with Forty Mutations | 分子名称: | (S)-hydroxynitrile lyase, 1,2-ETHANEDIOL, BENZOIC ACID, ... | 著者 | Walsh, M.E, Greenberg, L.R, Kazlauskas, R.J, Pierce, C.T, Aihara, H, Evans, R.L, Shi, K. | 登録日 | 2023-04-27 | 公開日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | To be published To Be Published
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6SM2
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![BU of 6sm2 by Molmil](/molmil-images/mine/6sm2) | Mutant immunoglobulin light chain causing amyloidosis (Pat-1) | 分子名称: | Pat-1 | 著者 | Kazman, P, Vielberg, M.-T, Cendales, M.D.P, Hunziger, L, Weber, B, Hegenbart, U, Zacharias, M, Koehler, R, Schoenland, S, Groll, M, Buchner, J. | 登録日 | 2019-08-21 | 公開日 | 2020-03-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Fatal amyloid formation in a patient's antibody light chain is caused by a single point mutation. Elife, 9, 2020
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6X22
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6WH1
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![BU of 6wh1 by Molmil](/molmil-images/mine/6wh1) | Structure of the complex of human DNA ligase III-alpha and XRCC1 BRCT domains | 分子名称: | DNA ligase 3 alpha, X-ray repair cross complementing protein 1 variant | 著者 | Pourfarjam, Y, Ellenberger, T, Tainer, J.A, Tomkinson, A.E, Kim, I.K. | 登録日 | 2020-04-07 | 公開日 | 2020-12-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | An atypical BRCT-BRCT interaction with the XRCC1 scaffold protein compacts human DNA Ligase III alpha within a flexible DNA repair complex. Nucleic Acids Res., 49, 2021
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6HH6
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![BU of 6hh6 by Molmil](/molmil-images/mine/6hh6) | Human poly(ADP-ribose) glycohydrolase in complex with ADP-HPM | 分子名称: | Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol, Poly(ADP-ribose) glycohydrolase, SULFATE ION | 著者 | Ariza, A. | 登録日 | 2018-08-24 | 公開日 | 2018-11-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | (ADP-ribosyl)hydrolases: Structural Basis for Differential Substrate Recognition and Inhibition. Cell Chem Biol, 25, 2018
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6SSX
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![BU of 6ssx by Molmil](/molmil-images/mine/6ssx) | cryo-em structure of alpha-synuclein fibril polymorph 2A | 分子名称: | Alpha-synuclein | 著者 | Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H. | 登録日 | 2019-09-09 | 公開日 | 2019-12-18 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | 主引用文献 | Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy. Elife, 8, 2019
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6GP2
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![BU of 6gp2 by Molmil](/molmil-images/mine/6gp2) | Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, DOPA-active form | 分子名称: | CALCIUM ION, Ribonucleoside-diphosphate reductase beta chain | 著者 | Srinivas, V, Lebrette, H, Lundin, D, Kutin, Y, Sahlin, M, Lerche, M, Enrich, J, Branca, R.M.M, Cox, N, Sjoberg, B.M, Hogbom, M. | 登録日 | 2018-06-05 | 公開日 | 2018-08-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Metal-free ribonucleotide reduction powered by a DOPA radical in Mycoplasma pathogens. Nature, 563, 2018
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