3ZO5
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6TKJ
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![BU of 6tkj by Molmil](/molmil-images/mine/6tkj) | Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 7keV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain, ... | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | Deposit date: | 2019-11-28 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol, 28, 2021
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8AWW
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![BU of 8aww by Molmil](/molmil-images/mine/8aww) | Transthyretin conjugated with a tafamidis derivative | Descriptor: | Transthyretin, ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide | Authors: | Cerofolini, L, Vasa, K, Bianconi, E, Salobehaj, M, Cappelli, G, Licciardi, G, Perez-Rafols, A, Padilla Cortes, L.D, Antonacci, S, Rizzo, D, Ravera, E, Calderone, V, Parigi, G, Luchinat, C, Macchiarulo, A, Menichetti, S, Fragai, M. | Deposit date: | 2022-08-30 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates. Angew.Chem.Int.Ed.Engl., 62, 2023
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3CPS
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![BU of 3cps by Molmil](/molmil-images/mine/3cps) | Crystal structure of Cryptosporidium parvum glyceraldehyde-3-phosphate dehydrogenase | Descriptor: | Glyceraldehyde 3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2008-04-01 | Release date: | 2008-04-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Cryptosporidium parvum glyceraldehyde-3-phosphate dehydrogenase. To be Published
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8AQ3
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![BU of 8aq3 by Molmil](/molmil-images/mine/8aq3) | In surfo structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli in complex with PE | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M. | Deposit date: | 2022-08-11 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.395 Å) | Cite: | Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase. Sci Adv, 9, 2023
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2MOX
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![BU of 2mox by Molmil](/molmil-images/mine/2mox) | solution structure of tandem SH3 domain of Sorbin and SH3 domain-containing protein 1 | Descriptor: | Sorbin and SH3 domain-containing protein 1 | Authors: | Zhao, D, Wang, C, Zhang, J, Wu, J, Shi, Y, Zhang, Z, Gong, Q. | Deposit date: | 2014-05-07 | Release date: | 2014-05-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin J.Struct.Biol., 187, 2014
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3J5Y
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![BU of 3j5y by Molmil](/molmil-images/mine/3j5y) | Structure of the mammalian ribosomal pre-termination complex associated with eRF1-eRF3-GDPNP | Descriptor: | 5'-R(*AP*UP*UP*GP*UP*AP*AP*AP*AP*A)-3', Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, Eukaryotic peptide chain release factor subunit 1, ... | Authors: | des Georges, A, Hashem, Y, Unbehaun, A, Grassucci, R.A, Taylor, D, Hellen, C.U.T, Pestova, T.V, Frank, J. | Deposit date: | 2013-11-21 | Release date: | 2013-12-25 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (9.7 Å) | Cite: | Structure of the mammalian ribosomal pre-termination complex associated with eRF1*eRF3*GDPNP. Nucleic Acids Res., 42, 2014
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8AQ4
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![BU of 8aq4 by Molmil](/molmil-images/mine/8aq4) | In surfo structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli in complex with TITC and lyso-PE | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M. | Deposit date: | 2022-08-11 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase. Sci Adv, 9, 2023
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1FPZ
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![BU of 1fpz by Molmil](/molmil-images/mine/1fpz) | CRYSTAL STRUCTURE ANALYSIS OF KINASE ASSOCIATED PHOSPHATASE (KAP) WITH A SUBSTITUTION OF THE CATALYTIC SITE CYSTEINE (CYS140) TO A SERINE | Descriptor: | CYCLIN-DEPENDENT KINASE INHIBITOR 3, SULFATE ION | Authors: | Song, H, Hanlon, N, Brown, N.R, Noble, M.E.M, Johnson, L.N, Barford, D. | Deposit date: | 2000-09-01 | Release date: | 2001-05-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Phosphoprotein-protein interactions revealed by the crystal structure of kinase-associated phosphatase in complex with phosphoCDK2. Mol.Cell, 7, 2001
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3CS6
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![BU of 3cs6 by Molmil](/molmil-images/mine/3cs6) | Structure-based design of a superagonist ligand for the vitamin D nuclear receptor | Descriptor: | (1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol, Vitamin D3 receptor | Authors: | Hourai, S, Rodriguez, L.C, Antony, P, Reina-San-Martin, B, Ciesielski, P, Magnier, B.C, Schoonjans, K, Mourino, A, Rochel, N, Moras, D. | Deposit date: | 2008-04-09 | Release date: | 2008-05-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of a superagonist ligand for the vitamin d nuclear receptor. Chem.Biol., 15, 2008
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2MX1
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![BU of 2mx1 by Molmil](/molmil-images/mine/2mx1) | Structure of the E. coli Threonylcarbamoyl-AMP Synthase TSAC | Descriptor: | Threonylcarbamoyl-AMP synthase | Authors: | Harris, K.A, Bobay, B.G, Sarachan, K.L, Sims, A.F, Bilbille, Y, Deutsch, C, Iwata-Reuyl, D, Agris, P.F. | Deposit date: | 2014-12-06 | Release date: | 2015-06-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR-based Structural Analysis of Threonylcarbamoyl-AMP Synthase and Its Substrate Interactions. J.Biol.Chem., 290, 2015
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6SS3
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![BU of 6ss3 by Molmil](/molmil-images/mine/6ss3) | Kemp Eliminase HG3.17 mutant Q50K, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole | Descriptor: | 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50K, ... | Authors: | Bloch, J.S, Pinkas, D.M, Hilvert, D. | Deposit date: | 2019-09-06 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency Acs Catalysis, 2020
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2MTM
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![BU of 2mtm by Molmil](/molmil-images/mine/2mtm) | NMR structure of RCB-1 peptide | Descriptor: | Putative uncharacterized protein | Authors: | Boldbaatar, D, Elseedi, H.R. | Deposit date: | 2014-08-21 | Release date: | 2015-09-02 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Synthesis, Structural Characterization, and Bioactivity of the Stable Peptide RCB-1 from Ricinus communis. J Nat Prod, 78, 2015
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6SU3
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![BU of 6su3 by Molmil](/molmil-images/mine/6su3) | Crystal structure of the 48C12 heliorhodopsin in the violet form at pH 8.8 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 48C12 heliorhodopsin, EICOSANE, ... | Authors: | Kovalev, K, Volkov, D, Astashkin, R, Alekseev, A, Gushchin, I, Gordeliy, V. | Deposit date: | 2019-09-12 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-resolution structural insights into the heliorhodopsin family. Proc.Natl.Acad.Sci.USA, 117, 2020
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6SUG
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![BU of 6sug by Molmil](/molmil-images/mine/6sug) | Crystal structure of transthyretin in complex with 3-deoxytolcapone, a tolcapone analogue | Descriptor: | 3-deoxytolcapone, Transthyretin | Authors: | Loconte, V, Cianci, M, Menozzi, I, Sbravati, D, Sansone, F, Casnati, A, Berni, R. | Deposit date: | 2019-09-14 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Interactions of tolcapone analogues as stabilizers of the amyloidogenic protein transthyretin. Bioorg.Chem., 103, 2020
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3JCT
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![BU of 3jct by Molmil](/molmil-images/mine/3jct) | Cryo-em structure of eukaryotic pre-60S ribosomal subunits | Descriptor: | 60S ribosomal protein L11-A, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ... | Authors: | Wu, S, Kumcuoglu, B, Yan, K.G, Brown, H, Zhang, Y.X, Tan, D, Gamalinda, M, Yuan, Y, Li, Z.F, Jakovljevic, J, Ma, C.Y, Lei, J.L, Dong, M.Q, Woolford Jr, J.L, Gao, N. | Deposit date: | 2016-03-09 | Release date: | 2016-06-01 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Diverse roles of assembly factors revealed by structures of late nuclear pre-60S ribosomes Nature, 534, 2016
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2NCN
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3JSR
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![BU of 3jsr by Molmil](/molmil-images/mine/3jsr) | X-Ray structure of All0216 protein from Nostoc sp. PCC 7120 at the resolution 1.8A. Northeast Structural Genomics Consortium target NsR236 | Descriptor: | All0216 protein, POTASSIUM ION | Authors: | Kuzin, A.P, Chen, Y, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-09-10 | Release date: | 2009-09-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray structure of All0216 protein from Nostoc sp. PCC 7120 at the resolution 1.8A To be Published
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3J9X
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![BU of 3j9x by Molmil](/molmil-images/mine/3j9x) | A Virus that Infects a Hyperthermophile Encapsidates A-Form DNA | Descriptor: | DNA, coat protein | Authors: | DiMaio, F, Yu, X, Rensen, E, Krupovic, M, Prangishvili, D, Egelman, E. | Deposit date: | 2015-03-21 | Release date: | 2015-06-03 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A virus that infects a hyperthermophile encapsidates A-form DNA. Science, 348, 2015
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3CL9
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![BU of 3cl9 by Molmil](/molmil-images/mine/3cl9) | Structure of bifunctional TcDHFR-TS in complex with MTX | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase (DHFR-TS), ... | Authors: | Schormann, N, Senkovich, O, Chattopadhyay, D. | Deposit date: | 2008-03-18 | Release date: | 2009-01-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function. Proteins, 73, 2008
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2N9Z
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![BU of 2n9z by Molmil](/molmil-images/mine/2n9z) | Solution structure of K1 lobe of double-knot toxin | Descriptor: | Tau-theraphotoxin-Hs1a | Authors: | Bae, C, Anselmi, C, Kalia, J, Jara-Oseguera, A, Schwieters, C.D, Krepkiy, D, Lee, C.W, Kim, E.H, Kim, J.I, Faraldo-Gomez, J.D, Swartz, K.J. | Deposit date: | 2015-12-16 | Release date: | 2016-03-02 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural insights into the mechanism of activation of the TRPV1 channel by a membrane-bound tarantula toxin Elife, 5, 2016
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1FI9
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![BU of 1fi9 by Molmil](/molmil-images/mine/1fi9) | SOLUTION STRUCTURE OF THE IMIDAZOLE COMPLEX OF CYTOCHROME C | Descriptor: | CYTOCHROME C, HEME C, IMIDAZOLE | Authors: | Banci, L, Bertini, I, Liu, G, Lu, J, Reddig, T, Tang, W, Wu, Y, Zhu, D. | Deposit date: | 2000-08-03 | Release date: | 2000-08-23 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Effects of extrinsic imidazole ligation on the molecular and electronic structure of cytochrome c J.Biol.Inorg.Chem., 6, 2001
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8AHV
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![BU of 8ahv by Molmil](/molmil-images/mine/8ahv) | Crystal structure of human cathepsin L in complex with calpain inhibitor XII | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate, 1,2-ETHANEDIOL, Cathepsin L, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-07-22 | Release date: | 2023-08-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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6SL1
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![BU of 6sl1 by Molmil](/molmil-images/mine/6sl1) | Structure of the open conformation of CtTel1 | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1 | Authors: | Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P. | Deposit date: | 2019-08-16 | Release date: | 2019-10-30 | Last modified: | 2020-05-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State. Structure, 28, 2020
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2NAA
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![BU of 2naa by Molmil](/molmil-images/mine/2naa) | NSD1-PHD_5-C5HCH tandem domain structure | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, ZINC ION | Authors: | Berardi, A, Quilici, G, Spiliotopoulos, D, Musco, G. | Deposit date: | 2015-12-22 | Release date: | 2016-03-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome. Nucleic Acids Res., 44, 2016
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