4U1J
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![BU of 4u1j by Molmil](/molmil-images/mine/4u1j) | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GAG protein, ... | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | Deposit date: | 2014-07-15 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape. Retrovirology, 12, 2015
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4U1N
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![BU of 4u1n by Molmil](/molmil-images/mine/4u1n) | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | Deposit date: | 2014-07-15 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape. Retrovirology, 12, 2015
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4TZR
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![BU of 4tzr by Molmil](/molmil-images/mine/4tzr) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561 | Descriptor: | 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | Authors: | Merritt, E.A. | Deposit date: | 2014-07-10 | Release date: | 2014-08-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis. J. Med. Chem., 59, 2016
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4U0S
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![BU of 4u0s by Molmil](/molmil-images/mine/4u0s) | Structure of Eukaryotic fic domain containing protein with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, ... | Authors: | Cole, A.R, Katan, M, Bunney, T.D. | Deposit date: | 2014-07-14 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions. Structure, 22, 2014
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4U1K
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![BU of 4u1k by Molmil](/molmil-images/mine/4u1k) | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | Deposit date: | 2014-07-15 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape. Retrovirology, 12, 2015
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4RZ6
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![BU of 4rz6 by Molmil](/molmil-images/mine/4rz6) | Transaldolase B E96Q F178Y from E.coli | Descriptor: | CHLORIDE ION, HEXAETHYLENE GLYCOL, SULFATE ION, ... | Authors: | Stellmacher, L, Sandalova, T, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K. | Deposit date: | 2014-12-18 | Release date: | 2015-10-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase ChemCatChem, 2015
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4TOH
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![BU of 4toh by Molmil](/molmil-images/mine/4toh) | 1.80A resolution structure of Iron Bound BfrB (C89S, K96C) from Pseudomonas aeruginosa | Descriptor: | Bacterioferritin, FE (II) ION, POTASSIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | Deposit date: | 2014-06-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic. Biochemistry, 54, 2015
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4TT9
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![BU of 4tt9 by Molmil](/molmil-images/mine/4tt9) | |
4RMI
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![BU of 4rmi by Molmil](/molmil-images/mine/4rmi) | Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide | Descriptor: | Ac-Lys-OTC peptide, N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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4RUF
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![BU of 4ruf by Molmil](/molmil-images/mine/4ruf) | Human K2P4.1 (TRAAAK) potassium channel, W262S mutant | Descriptor: | POTASSIUM ION, Potassium channel subfamily K member 4 | Authors: | Lolicato, M, Minor, D.L.Jr. | Deposit date: | 2014-11-19 | Release date: | 2014-12-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Transmembrane Helix Straightening and Buckling Underlies Activation of Mechanosensitive and Thermosensitive K2P Channels. Neuron, 84, 2014
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4TX0
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![BU of 4tx0 by Molmil](/molmil-images/mine/4tx0) | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bischoff, M, Sippel, C, Bracher, A, Hausch, F. | Deposit date: | 2014-07-02 | Release date: | 2014-10-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Stereoselective Construction of the 5-Hydroxy Diazabicyclo[4.3.1]decane-2-one Scaffold, a Privileged Motif for FK506-Binding Proteins. Org.Lett., 16, 2014
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4U1Y
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![BU of 4u1y by Molmil](/molmil-images/mine/4u1y) | Full length GluA2-FW-(R,R)-2b complex | Descriptor: | 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2, ... | Authors: | Chen, L, Gouaux, E. | Deposit date: | 2014-07-16 | Release date: | 2014-08-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.8999 Å) | Cite: | Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States. Cell, 158, 2014
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4TWT
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![BU of 4twt by Molmil](/molmil-images/mine/4twt) | Human TNFa dimer in complex with the semi-synthetic bicyclic peptide M21 | Descriptor: | (2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol, ALA-CYS-PRO-PRO-CYS-LEU-TRP-GLN-VAL-LEU-CYS-GLY, GLYCEROL, ... | Authors: | Luzi, S, Kondo, Y, Bernard, E, Stadler, L, Winter, G, Holliger, P. | Deposit date: | 2014-07-01 | Release date: | 2015-02-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Subunit disassembly and inhibition of TNF alpha by a semi-synthetic bicyclic peptide. Protein Eng.Des.Sel., 28, 2015
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4U8L
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![BU of 4u8l by Molmil](/molmil-images/mine/4u8l) | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant N207A | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | Deposit date: | 2014-08-03 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics. Biochemistry, 53, 2014
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4U45
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![BU of 4u45 by Molmil](/molmil-images/mine/4u45) | MAP4K4 in complex with inhibitor (compound 25) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, MAGNESIUM ION, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-07-23 | Release date: | 2014-09-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4U44
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![BU of 4u44 by Molmil](/molmil-images/mine/4u44) | MAP4K4 in complex with inhibitor (compound 16) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-07-23 | Release date: | 2014-09-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4U3G
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![BU of 4u3g by Molmil](/molmil-images/mine/4u3g) | Crystal structure of Escherichia coli bacterioferritin mutant D132F | Descriptor: | Bacterioferritin, SULFATE ION | Authors: | Wong, S.G, Grigg, J.C, Le Brun, N.E, Moore, G.R, Murphy, M.E.P, Mauk, A.G. | Deposit date: | 2014-07-21 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The B-type Channel Is a Major Route for Iron Entry into the Ferroxidase Center and Central Cavity of Bacterioferritin. J.Biol.Chem., 290, 2015
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4UC3
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![BU of 4uc3 by Molmil](/molmil-images/mine/4uc3) | Translocator protein 18 kDa (TSPO) from Rhodobacter sphaeroides wild type | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, TRANSLOCATOR PROTEIN TSPO | Authors: | Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S. | Deposit date: | 2014-08-13 | Release date: | 2015-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism. Science, 347, 2015
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4U3O
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![BU of 4u3o by Molmil](/molmil-images/mine/4u3o) | Octameric RNA duplex soaked in manganese(II)chloride | Descriptor: | MANGANESE (II) ION, RNA (5'-R(*UP*CP*GP*UP*AP*CP*GP*A)-3') | Authors: | Schaffer, M.F, Spingler, B, Schnabl, J, Peng, G, Olieric, V, Sigel, R.K.O. | Deposit date: | 2014-07-22 | Release date: | 2015-07-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations. Int J Mol Sci, 17, 2016
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4UBH
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![BU of 4ubh by Molmil](/molmil-images/mine/4ubh) | Resting state of rat cysteine dioxygenase Y157F variant | Descriptor: | CHLORIDE ION, Cysteine dioxygenase type 1, FE (II) ION, ... | Authors: | Tchesnokov, E.P, Fellner, M, Jameson, G.N.L, Wilbanks, S.M. | Deposit date: | 2014-08-13 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structure of cysteine dioxygenase mutant To be published
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4U2N
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![BU of 4u2n by Molmil](/molmil-images/mine/4u2n) | |
4U2Q
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![BU of 4u2q by Molmil](/molmil-images/mine/4u2q) | Full-length AMPA subtype ionotropic glutamate receptor GluA2 in complex with partial agonist kainate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2 | Authors: | Duerr, K.L, Chen, L, Gouaux, E. | Deposit date: | 2014-07-17 | Release date: | 2014-08-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.5247 Å) | Cite: | Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States. Cell, 158, 2014
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4UAP
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![BU of 4uap by Molmil](/molmil-images/mine/4uap) | X-ray structure of GH31 CBM32-2 bound to GalNAc | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, GLYCEROL, ... | Authors: | Grondin, J.M, Abe, K, Boraston, A.B, Smith, S.P. | Deposit date: | 2014-08-11 | Release date: | 2015-10-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens. PLoS ONE, 12, 2017
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4U47
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![BU of 4u47 by Molmil](/molmil-images/mine/4u47) | Octameric RNA duplex soaked in terbium(III)chloride | Descriptor: | RNA (5'-R(*UP*CP*GP*UP*AP*CP*GP*A)-3'), TERBIUM(III) ION | Authors: | Schaffer, M.F, Spingler, B, Schnabl, J, Peng, G, Olieric, V, Sigel, R.K.O. | Deposit date: | 2014-07-23 | Release date: | 2015-08-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations. Int J Mol Sci, 17, 2016
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4UFC
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![BU of 4ufc by Molmil](/molmil-images/mine/4ufc) | Crystal structure of the GH95 enzyme BACOVA_03438 | Descriptor: | CACODYLATE ION, CALCIUM ION, GH95, ... | Authors: | Rogowski, A, Briggs, J.A, Mortimer, J.C, Tryfona, T, Terrapon, N, Lowe, E.C, Basle, A, Morland, C, Day, A.M, Zheng, H, Rogers, T.E, Thompson, P, Hawkins, A.R, Yadav, M.P, Henrissat, B, Martens, E.C, Dupree, P, Gilbert, H.J, Bolam, D.N. | Deposit date: | 2015-03-16 | Release date: | 2015-07-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Glycan Complexity Dictates Microbial Resource Allocation in the Large Intestine. Nat.Commun., 6, 2015
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