8BG0
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![BU of 8bg0 by Molmil](/molmil-images/mine/8bg0) | Amyloid-beta tetrameric filaments with the Arctic mutation (E22G) from Alzheimer's disease brains | ABeta40 | Descriptor: | Amyloid-beta precursor protein | Authors: | Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordber, A, Goedert, M, Scheres, S.H.W. | Deposit date: | 2022-10-27 | Release date: | 2023-01-18 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (1.99 Å) | Cite: | Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains. Acta Neuropathol, 145, 2023
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6TPF
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![BU of 6tpf by Molmil](/molmil-images/mine/6tpf) | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | Descriptor: | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A. | Deposit date: | 2019-12-13 | Release date: | 2020-06-10 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63, 2020
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1LPG
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![BU of 1lpg by Molmil](/molmil-images/mine/1lpg) | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 79. | Descriptor: | Blood coagulation factor Xa, CALCIUM ION, [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | Authors: | Schreuder, H.A, Brachvogel, V, Liesum, A. | Deposit date: | 2002-05-08 | Release date: | 2003-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa. J.Med.Chem., 45, 2002
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5H2N
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![BU of 5h2n by Molmil](/molmil-images/mine/5h2n) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 95.2 us after photoexcitation | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | Deposit date: | 2016-10-15 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
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1LPZ
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![BU of 1lpz by Molmil](/molmil-images/mine/1lpz) | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 41. | Descriptor: | 1-(3-carbamimidoylbenzyl)-N-(3,5-dichlorobenzyl)-4-methyl-1H-indole-2-carboxamide, Blood coagulation factor Xa, CALCIUM ION | Authors: | Schreuder, H.A, Brachvogel, V, Liesum, A. | Deposit date: | 2002-05-08 | Release date: | 2003-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa J.Biol.Chem., 45, 2002
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1B01
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![BU of 1b01 by Molmil](/molmil-images/mine/1b01) | TRANSCRIPTIONAL REPRESSOR COPG/DNA COMPLEX | Descriptor: | DNA (5'-D(*CP*CP*CP*GP*TP*GP*CP*AP*CP*TP*CP*AP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*GP*CP*AP*TP*TP*GP*AP*GP*TP*GP*CP*AP*CP*GP*G)-3'), TRANSCRIPTIONAL REPRESSOR COPG | Authors: | Gomis-Rueth, F.X, Sola, M, Acebo, P, Parraga, A, Guasch, A, Eritja, R, Gonzalez, A, Espinosa, M, del Solar, G, Coll, M. | Deposit date: | 1999-11-15 | Release date: | 1999-11-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The structure of plasmid-encoded transcriptional repressor CopG unliganded and bound to its operator. EMBO J., 17, 1998
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6GSR
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![BU of 6gsr by Molmil](/molmil-images/mine/6gsr) | Single Particle Cryo-EM map of human Transferrin receptor 1 - H-Ferritin complex at 5.5 Angstrom resolution. | Descriptor: | Ferritin heavy chain, Transferrin receptor protein 1 | Authors: | Testi, C, Montemiglio, L.C, Vallone, B, Des Georges, A, Boffi, A, Mancia, F, Baiocco, P. | Deposit date: | 2018-06-15 | Release date: | 2019-03-27 | Last modified: | 2019-05-08 | Method: | ELECTRON MICROSCOPY (5.5 Å) | Cite: | Cryo-EM structure of the human ferritin-transferrin receptor 1 complex. Nat Commun, 10, 2019
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6TSG
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![BU of 6tsg by Molmil](/molmil-images/mine/6tsg) | Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG) in complex with TETRAC | Descriptor: | 3,3',5,5'-TETRAIODOTHYROACETIC ACID, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Gellrich, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-20 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | l-Thyroxin and the Nonclassical Thyroid Hormone TETRAC Are Potent Activators of PPAR gamma. J.Med.Chem., 63, 2020
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3R04
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![BU of 3r04 by Molmil](/molmil-images/mine/3r04) | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | Descriptor: | 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1 | Authors: | Xiang, Y, Hirth, B, Asmussen, G, Biemann, H.-P, Good, A, Fitzgerald, M, Gladysheva, T, Jancsics, K, Liu, J, Metz, M, Papoulis, A, Skerlj, R, Stepp, D.J, Wei, R.R. | Deposit date: | 2011-03-07 | Release date: | 2011-05-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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7L52
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![BU of 7l52 by Molmil](/molmil-images/mine/7l52) | Crystal Structure of the Metallo Beta Lactamase L1 from Stenotrophomonas maltophilia Determined by Serial Crystallography | Descriptor: | Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Maltseva, N, Endres, M, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-21 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of the Metallo Beta Lactamase L1 from Stenotrophomonas maltophilia Determined by Serial Crystallography To Be Published
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2PPX
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![BU of 2ppx by Molmil](/molmil-images/mine/2ppx) | Crystal structure of a HTH XRE-family like protein from Agrobacterium tumefaciens | Descriptor: | GLYCEROL, SULFATE ION, Uncharacterized protein Atu1735 | Authors: | Cuff, M.E, Skarina, T, Onopriyenko, O, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-04-30 | Release date: | 2007-05-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a HTH XRE-family like protein from Agrobacterium tumefaciens. TO BE PUBLISHED
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457D
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![BU of 457d by Molmil](/molmil-images/mine/457d) | MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGMO6AATTCGCG): N6-METHOXYADENOSINE/ THYMIDINE BASE-PAIRS IN B-DNA | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*(A47)P*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Chatake, T, Ono, A, Ueno, Y, Matsuda, A, Takenaka, A. | Deposit date: | 1999-03-06 | Release date: | 2000-01-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic studies on damaged DNAs. II. N(6)-methoxyadenine can present two alternate faces for Watson-Crick base-pairing, leading to pyrimidine transition mutagenesis. J.Mol.Biol., 294, 1999
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1KKT
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![BU of 1kkt by Molmil](/molmil-images/mine/1kkt) | Structure of P. citrinum alpha 1,2-mannosidase reveals the basis for differences in specificity of the ER and Golgi Class I enzymes | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mannosyl-oligosaccharide alpha-1,2-mannosidase, ... | Authors: | Lobsanov, Y.D, Vallee, F, Imberty, A, Yoshida, T, Yip, P, Herscovics, A, Howell, P.L. | Deposit date: | 2001-12-10 | Release date: | 2002-01-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Penicillium citrinum alpha 1,2-mannosidase reveals the basis for differences in specificity of the endoplasmic reticulum and Golgi class I enzymes. J.Biol.Chem., 277, 2002
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7KKL
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![BU of 7kkl by Molmil](/molmil-images/mine/7kkl) | SARS-CoV-2 Spike in complex with neutralizing nanobody mNb6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | Deposit date: | 2020-10-27 | Release date: | 2020-11-11 | Last modified: | 2021-04-21 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike. Science, 370, 2020
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4AII
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![BU of 4aii by Molmil](/molmil-images/mine/4aii) | Crystal structure of the rat REM2 GTPase - G domain bound to GDP | Descriptor: | GTP-BINDING PROTEIN REM 2, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Reymond, P, Coquard, A, Chenon, M, Zeghouf, M, El Marjou, A, Thompson, A, Menetrey, J. | Deposit date: | 2012-02-10 | Release date: | 2012-06-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structure of the Gdp-Bound G Domain of the Rgk Protein Rem2. Acta Crystallogr.,Sect.F, 68, 2012
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5D21
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![BU of 5d21 by Molmil](/molmil-images/mine/5d21) | Multivalency Effects in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting Lectin LecA | Descriptor: | CALCIUM ION, LecA, phenyl beta-D-galactopyranoside | Authors: | Bergmann, M, Michaud, G, Visini, R, Jin, X, Stocker, A, Darbre, T, Reymond, J.-L. | Deposit date: | 2015-08-05 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Multivalency effects on Pseudomonas aeruginosa biofilm inhibition and dispersal by glycopeptide dendrimers targeting lectin LecA. Org.Biomol.Chem., 14, 2016
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3GHS
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![BU of 3ghs by Molmil](/molmil-images/mine/3ghs) | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Second stage of radiation damage. | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | Deposit date: | 2009-03-04 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | X-ray-radiation-induced cooperative atomic movements in protein. J.Mol.Biol., 387, 2009
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6EKA
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![BU of 6eka by Molmil](/molmil-images/mine/6eka) | Solid-state MAS NMR structure of the HELLF prion amyloid fibrils | Descriptor: | Podospora anserina S mat+ genomic DNA chromosome 3, supercontig 2 | Authors: | Martinez, D, Daskalov, A, Andreas, L, Bardiaux, B, Coustou, V, Stanek, J, Berbon, M, Noubhani, M, Kauffmann, B, Wall, J.S, Pintacuda, G, Saupe, S.J, Habenstein, B, Loquet, A. | Deposit date: | 2017-09-25 | Release date: | 2018-10-10 | Last modified: | 2024-06-19 | Method: | SOLID-STATE NMR | Cite: | Structural and molecular basis of cross-seeding barriers in amyloids Proc.Natl.Acad.Sci.USA, 118, 2021
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5FBU
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![BU of 5fbu by Molmil](/molmil-images/mine/5fbu) | Crystal structure of rifampin phosphotransferase RPH-Lm from Listeria monocytogenes in complex with rifampin-phosphate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphoenolpyruvate synthase, ... | Authors: | Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-14 | Release date: | 2015-12-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Rifampin phosphotransferase is an unusual antibiotic resistance kinase. Nat Commun, 7, 2016
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1XZ2
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![BU of 1xz2 by Molmil](/molmil-images/mine/1xz2) | wild-type hemoglobin deoxy no-salt | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M. | Deposit date: | 2004-11-11 | Release date: | 2004-11-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin Biochemistry, 44, 2005
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3LJC
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![BU of 3ljc by Molmil](/molmil-images/mine/3ljc) | Crystal structure of Lon N-terminal domain. | Descriptor: | ATP-dependent protease La | Authors: | Li, M, Gustchina, A, Dauter, Z, Wlodawer, A. | Deposit date: | 2010-01-26 | Release date: | 2010-07-21 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the N-terminal fragment of Escherichia coli Lon protease Acta Crystallogr.,Sect.D, 66, 2010
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2HS5
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![BU of 2hs5 by Molmil](/molmil-images/mine/2hs5) | Structural Genomics, the crystal structure of a putative transcriptional regulator GntR from Rhodococcus sp. RHA1 | Descriptor: | ACETATE ION, putative transcriptional regulator GntR | Authors: | Tan, K, Skarina, T, Onopriyenko, A, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-07-21 | Release date: | 2006-08-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of a putative transcriptional regulator GntR from Rhodococcus sp. RHA1 To be Published
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4ZBV
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![BU of 4zbv by Molmil](/molmil-images/mine/4zbv) | Structural studies on a non-toxic homologue of type II RIPs from Momordica charantia (bitter gourd) in complex with benzyl T-antigen | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chandran, T, Sharma, A, Vijayan, M. | Deposit date: | 2015-04-15 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies on a non-toxic homologue of type II RIPs from bitter gourd: Molecular basis of non-toxicity, conformational selection and glycan structure. J.Biosci., 40, 2015
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3LX7
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![BU of 3lx7 by Molmil](/molmil-images/mine/3lx7) | Crystal structure of a Novel Tudor domain-containing protein SGF29 | Descriptor: | SAGA-associated factor 29 homolog, SULFATE ION, UNKNOWN ATOM OR ION | Authors: | Bian, C.B, Xu, C, Tempel, W, Lam, R, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J. | Deposit date: | 2010-02-24 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation. Embo J., 30, 2011
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3LLV
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![BU of 3llv by Molmil](/molmil-images/mine/3llv) | The Crystal Structure of the NAD(P)-binding domain of an Exopolyphosphatase-related protein from Archaeoglobus fulgidus to 1.7A | Descriptor: | Exopolyphosphatase-related protein, PHOSPHATE ION | Authors: | Stein, A.J, Chang, C, Weger, A, Hendricks, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-01-29 | Release date: | 2010-02-09 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of the NAD(P)-binding domain of an Exopolyphosphatase-related protein from Archaeoglobus fulgidus to 1.7A To be Published
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