8QRS
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![BU of 8qrs by Molmil](/molmil-images/mine/8qrs) | ASCT2 protomer in lipid nanodiscs with bound glutamine and Na+ ions in the intermediate outward-facing state (iOFS-up) | Descriptor: | GLUTAMINE, Neutral amino acid transporter B(0) | Authors: | Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. | Deposit date: | 2023-10-09 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2. Nat Commun, 15, 2024
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8QRO
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![BU of 8qro by Molmil](/molmil-images/mine/8qro) | ASCT2 trimer in lipid nanodiscs with bound glutamine and Na+ ions in the outward-facing state (OFS) | Descriptor: | GLUTAMINE, Neutral amino acid transporter B(0), SODIUM ION | Authors: | Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. | Deposit date: | 2023-10-09 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2. Nat Commun, 15, 2024
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8QRV
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![BU of 8qrv by Molmil](/molmil-images/mine/8qrv) | ASCT2 protomer in lipid nanodiscs under low Na+ concentration in the outward-facing state (OFS) | Descriptor: | Neutral amino acid transporter B(0), SODIUM ION | Authors: | Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. | Deposit date: | 2023-10-09 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2. Nat Commun, 15, 2024
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5V6P
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![BU of 5v6p by Molmil](/molmil-images/mine/5v6p) | CryoEM structure of the ERAD-associated E3 ubiquitin-protein ligase HRD1 | Descriptor: | ERAD-associated E3 ubiquitin-protein ligase HRD1 | Authors: | Schoebel, S, Mi, W, Stein, A, Rapoport, T.A, Liao, M. | Deposit date: | 2017-03-17 | Release date: | 2017-08-16 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structure of the protein-conducting ERAD channel Hrd1 in complex with Hrd3. Nature, 548, 2017
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6TXP
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![BU of 6txp by Molmil](/molmil-images/mine/6txp) | Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) | Descriptor: | (2-carbamoyl-5-fluorophenoxy)acetic acid, 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, ... | Authors: | Hubert, L.-S, Ley, M, Heine, A, Klebe, G. | Deposit date: | 2020-01-14 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) To Be Published
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6WEN
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![BU of 6wen by Molmil](/molmil-images/mine/6wen) | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in the apo form | Descriptor: | CHLORIDE ION, Non-structural protein 3 | Authors: | Michalska, K, Stols, L, Jedrzejczak, R, Endres, M, Babnigg, G, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-02 | Release date: | 2020-04-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes. Iucrj, 7, 2020
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8DSX
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![BU of 8dsx by Molmil](/molmil-images/mine/8dsx) | |
6WT7
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![BU of 6wt7 by Molmil](/molmil-images/mine/6wt7) | Structure of a metazoan TIR-STING receptor from C. gigas in complex with 2',3'-cGAMP | Descriptor: | Metazoan TIR-STING fusion, cGAMP | Authors: | Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J. | Deposit date: | 2020-05-01 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | STING cyclic dinucleotide sensing originated in bacteria. Nature, 586, 2020
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6H11
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![BU of 6h11 by Molmil](/molmil-images/mine/6h11) | Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA028 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.516 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA028 To be published
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5KTH
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![BU of 5kth by Molmil](/molmil-images/mine/5kth) | Structure of cow mincle complexed with brartemicin | Descriptor: | 2,4-dihydroxy-6-methyl Benzoic acid, CALCIUM ION, TRIETHYLENE GLYCOL, ... | Authors: | Feinberg, H, Rambaruth, N.D.S, Jegouzo, S.A.F, Jacobsen, K.M, Djurhuus, R, Poulsen, T.B, Taylor, M.E, Drickamer, K, Weis, W.I. | Deposit date: | 2016-07-11 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle. J.Biol.Chem., 291, 2016
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1HDB
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![BU of 1hdb by Molmil](/molmil-images/mine/1hdb) | ANALYSIS OF THE CRYSTAL STRUCTURE, MOLECULAR MODELING AND INFRARED SPECTROSCOPY OF THE DISTAL BETA-HEME POCKET VALINE67(E11)-THREONINE MUTATION OF HEMOGLOBIN | Descriptor: | HEMOGLOBIN (DEOXY) BETA-V67T, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Pechik, I, Ji, X, Fronticelli, C, Gilliland, G.L. | Deposit date: | 1995-04-14 | Release date: | 1996-04-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic, molecular modeling, and biophysical characterization of the valine beta 67 (E11)-->threonine variant of hemoglobin. Biochemistry, 35, 1996
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5OO3
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![BU of 5oo3 by Molmil](/molmil-images/mine/5oo3) | |
3D95
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![BU of 3d95 by Molmil](/molmil-images/mine/3d95) | |
1GUN
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![BU of 1gun by Molmil](/molmil-images/mine/1gun) | |
1GUG
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![BU of 1gug by Molmil](/molmil-images/mine/1gug) | MopII from Clostridium pasteurianum complexed with tungstate | Descriptor: | CHLORIDE ION, MOLYBDATE BINDING PROTEIN II, SODIUM ION, ... | Authors: | Schuettelkopf, A.W, Harrison, J.A, Hunter, W.N. | Deposit date: | 2002-01-25 | Release date: | 2002-02-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Passive Acquisition of Ligand by the Mopii Molbindin from Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms J.Biol.Chem., 277, 2002
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1VEE
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![BU of 1vee by Molmil](/molmil-images/mine/1vee) | NMR structure of the hypothetical rhodanese domain At4g01050 from Arabidopsis thaliana | Descriptor: | proline-rich protein family | Authors: | Pantoja-Uceda, D, Lopez-Mendez, B, Koshiba, S, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Tanaka, A, Seki, M, Shinozaki, K, Yokoyama, S, Guntert, P, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-03-30 | Release date: | 2005-01-25 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the rhodanese homology domain At4g01050(175-295) from Arabidopsis thaliana Protein Sci., 14, 2005
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4JK5
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![BU of 4jk5 by Molmil](/molmil-images/mine/4jk5) | Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Ser) | Descriptor: | 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | Authors: | Buth, S.A, Leiman, P.G, Chen, S, Heinis, C. | Deposit date: | 2013-03-09 | Release date: | 2013-07-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids. Chembiochem, 14, 2013
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1VDY
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![BU of 1vdy by Molmil](/molmil-images/mine/1vdy) | NMR Structure of the hypothetical ENTH-VHS domain At3g16270 from Arabidopsis thaliana | Descriptor: | hypothetical protein (RAFL09-17-B18) | Authors: | Lopez-Mendez, B, Pantoja-Uceda, D, Tomizawa, T, Koshiba, S, Kigawa, T, Shirouzu, M, Terada, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Seki, M, Shinozaki, K, Yokoyama, S, Guntert, P, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-03-25 | Release date: | 2005-05-03 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the hypothetical ENTH-VHS domain AT3G16270 from arabidopsis thaliana To be Published
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2FRS
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![BU of 2frs by Molmil](/molmil-images/mine/2frs) | |
4JK6
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![BU of 4jk6 by Molmil](/molmil-images/mine/4jk6) | Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Aba) | Descriptor: | 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | Authors: | Buth, S.A, Leiman, P.G, Chen, S, Heinis, C. | Deposit date: | 2013-03-09 | Release date: | 2013-07-17 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids. Chembiochem, 14, 2013
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6RZ7
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![BU of 6rz7 by Molmil](/molmil-images/mine/6rz7) | Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (F222 space group) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ... | Authors: | Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | Deposit date: | 2019-06-12 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors. Nat Commun, 10, 2019
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6RZ9
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![BU of 6rz9 by Molmil](/molmil-images/mine/6rz9) | Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2770372 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ... | Authors: | Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | Deposit date: | 2019-06-12 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors. Nat Commun, 10, 2019
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6S25
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![BU of 6s25 by Molmil](/molmil-images/mine/6s25) | Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate | Authors: | Picaud, S, Traquete, R, Bernardes, G.J.L, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-20 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand To Be Published
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8BQ7
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![BU of 8bq7 by Molmil](/molmil-images/mine/8bq7) | |
7PXH
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![BU of 7pxh by Molmil](/molmil-images/mine/7pxh) | Emodepside-bound Drosophila Slo channel | Descriptor: | (3~{S},6~{R},9~{S},12~{R},15~{S},18~{R},21~{S},24~{R})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, ... | Authors: | Raisch, T, Brockmann, A, Ebbinghaus-Kintscher, U, Freigang, J, Gutbrod, O, Kubicek, J, Maertens, B, Hofnagel, O, Raunser, S. | Deposit date: | 2021-10-08 | Release date: | 2021-12-15 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Small molecule modulation of the Drosophila Slo channel elucidated by cryo-EM. Nat Commun, 12, 2021
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