2QJG
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![BU of 2qjg by Molmil](/molmil-images/mine/2qjg) | M. jannaschii ADH synthase complexed with F1,6P | Descriptor: | 1,6-DI-O-PHOSPHONO-D-ALLITOL, Putative aldolase MJ0400 | Authors: | Ealick, S.E, Morar, M. | Deposit date: | 2007-07-07 | Release date: | 2007-10-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid synthase, a catalyst in the archaeal pathway for the biosynthesis of aromatic amino acids. Biochemistry, 46, 2007
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2QL6
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![BU of 2ql6 by Molmil](/molmil-images/mine/2ql6) | human nicotinamide riboside kinase (NRK1) | Descriptor: | (1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZOL-2-YL]-1,4-ANHYDRO-D-RIBITOL, ADENOSINE-5'-DIPHOSPHATE, nicotinamide riboside kinase 1 | Authors: | Khan, J.A, Xiang, S, Tong, L. | Deposit date: | 2007-07-12 | Release date: | 2007-10-02 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of human nicotinamide riboside kinase Structure, 15, 2007
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2APR
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2AWW
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![BU of 2aww by Molmil](/molmil-images/mine/2aww) | Synapse associated protein 97 PDZ2 domain variant C378G with C-terminal GluR-A peptide | Descriptor: | 18-residue C-terminal peptide from glutamate receptor, ionotropic, AMPA1, ... | Authors: | Von Ossowski, I, Oksanen, E, Von Ossowski, L, Cai, C, Sundberg, M, Goldman, A, Keinanen, K. | Deposit date: | 2005-09-02 | Release date: | 2006-08-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure of the second PDZ domain of SAP97 in complex with a GluR-A C-terminal peptide Febs J., 273, 2006
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2B5A
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![BU of 2b5a by Molmil](/molmil-images/mine/2b5a) | C.BclI, Control Element of the BclI Restriction-Modification System | Descriptor: | ACETIC ACID, C.BclI | Authors: | Sawaya, M.R, Zhu, Z, Mersha, F, Chan, S.H, Dabur, R, Xu, S.Y, Balendiran, G.K. | Deposit date: | 2005-09-28 | Release date: | 2006-01-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.543 Å) | Cite: | Crystal Structure of the Restriction-Modification System Control Element C.BclI and Mapping of Its Binding Site. Structure, 13, 2005
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2AWX
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![BU of 2awx by Molmil](/molmil-images/mine/2awx) | Synapse associated protein 97 PDZ2 domain variant C378S | Descriptor: | HISTIDINE, Synapse associated protein 97 | Authors: | Von Ossowski, I, Oksanen, E, Von Ossowski, L, Cai, C, Sundberg, M, Goldman, A, Keinanen, K. | Deposit date: | 2005-09-02 | Release date: | 2006-08-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the second PDZ domain of SAP97 in complex with a GluR-A C-terminal peptide Febs J., 273, 2006
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2QG6
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2QJH
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1SNB
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![BU of 1snb by Molmil](/molmil-images/mine/1snb) | STRUCTURE OF SCORPION NEUROTOXIN BMK M8 | Descriptor: | NEUROTOXIN BMK M8 | Authors: | Wang, D.C, Zeng, Z.H, Li, H.M. | Deposit date: | 1997-03-12 | Release date: | 1997-05-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of an acidic neurotoxin from scorpion Buthus martensii Karsch at 1.85 A resolution. J.Mol.Biol., 261, 1996
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6LRI
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![BU of 6lri by Molmil](/molmil-images/mine/6lri) | Human cGAS catalytic domain bound with compound 17 | Descriptor: | 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | Deposit date: | 2020-01-16 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing. J.Chem.Inf.Model., 60, 2020
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6LRE
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![BU of 6lre by Molmil](/molmil-images/mine/6lre) | Human cGAS catalytic domain bound with compound 3 | Descriptor: | 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | Deposit date: | 2020-01-16 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing. J.Chem.Inf.Model., 60, 2020
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6LRK
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![BU of 6lrk by Molmil](/molmil-images/mine/6lrk) | Human cGAS catalytic domain bound with compound 40 | Descriptor: | (3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | Deposit date: | 2020-01-16 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing. J.Chem.Inf.Model., 60, 2020
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3QVC
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6LR1
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6LTN
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![BU of 6ltn by Molmil](/molmil-images/mine/6ltn) | cryo-EM structure of C-terminal truncated human Pannexin1 | Descriptor: | Pannexin-1 | Authors: | Mou, L.Q, Ke, M, Xiao, Q.J, Wu, J.P, Deng, D. | Deposit date: | 2020-01-23 | Release date: | 2020-05-13 | Last modified: | 2020-05-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for gating mechanism of Pannexin 1 channel. Cell Res., 30, 2020
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6LZ0
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![BU of 6lz0 by Molmil](/molmil-images/mine/6lz0) | Cryo-EM structure of human MCT1 in complex with Basigin-2 in the presence of lactate | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, Basigin, Monocarboxylate transporter 1 | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | Deposit date: | 2020-02-16 | Release date: | 2020-12-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates. Cell, 184, 2021
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2K2T
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![BU of 2k2t by Molmil](/molmil-images/mine/2k2t) | Epidermal growth Factor-like domain 2 from Toxoplasma gondii Microneme protein 6 | Descriptor: | Micronemal protein 6 | Authors: | Sawmynaden, K, Saouros, S, Marchant, J, Simpson, P, Matthews, S. | Deposit date: | 2008-04-11 | Release date: | 2009-02-24 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Structural insights into microneme protein assembly reveal a new mode of EGF domain recognition. Embo Rep., 9, 2008
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1U94
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6M02
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![BU of 6m02 by Molmil](/molmil-images/mine/6m02) | cryo-EM structure of human Pannexin 1 channel | Descriptor: | Pannexin-1 | Authors: | Ronggui, Q, Lili, D, Jilin, Z, Xuekui, Y, Lei, W, Shujia, Z. | Deposit date: | 2020-02-19 | Release date: | 2020-03-25 | Last modified: | 2020-05-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of human heptameric Pannexin 1 channel. Cell Res., 30, 2020
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3R3B
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![BU of 3r3b by Molmil](/molmil-images/mine/3r3b) | Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant Q58A complexed with 4-hydroxyphenacyl CoA | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | Deposit date: | 2011-03-15 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU. Biochemistry, 51, 2012
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1F4M
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![BU of 1f4m by Molmil](/molmil-images/mine/1f4m) | P3(2) CRYSTAL STRUCTURE OF ALA2ILE2-6, A VERSION OF ROP WITH A REPACKED HYDROPHOBIC CORE AND A NEW FOLD. | Descriptor: | CALCIUM ION, ROP ALA2ILE2-6 | Authors: | Willis, M.A, Bishop, B, Regan, L, Brunger, A.T. | Deposit date: | 2000-06-08 | Release date: | 2001-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Dramatic structural and thermodynamic consequences of repacking a protein's hydrophobic core. Structure Fold.Des., 8, 2000
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1F4N
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![BU of 1f4n by Molmil](/molmil-images/mine/1f4n) | C2 CRYSTAL STRUCTURE OF ALA2ILE2-6, A VERSION OF ROP WITH A REPACKED HYDROPHOBIC CORE AND A NEW FOLD. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ROP ALA2ILE2-6 | Authors: | Willis, M.A, Bishop, B, Regan, L, Brunger, A.T. | Deposit date: | 2000-06-08 | Release date: | 2001-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dramatic structural and thermodynamic consequences of repacking a protein's hydrophobic core. Structure Fold.Des., 8, 2000
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7JXA
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![BU of 7jxa by Molmil](/molmil-images/mine/7jxa) | CRYSTAL STRUCTURE OF NATIVE BOVINE ARRESTIN 1 IN COMPLEX WITH INOSITOL 1,4,5-TRIPHOSPHATE | Descriptor: | 2-ETHOXYETHANOL, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, S-arrestin, ... | Authors: | Sander, C.L, Palczewski, K, Kiser, P.D. | Deposit date: | 2020-08-26 | Release date: | 2021-10-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural evidence for visual arrestin priming via complexation of phosphoinositols. Structure, 30, 2022
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1R7S
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![BU of 1r7s by Molmil](/molmil-images/mine/1r7s) | PUTIDAREDOXIN (Fe2S2 ferredoxin), C73G mutant | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin | Authors: | Smith, N, Mayhew, M, Kelly, H, Robinson, H, Heroux, A, Holden, M.J, Gallagher, D.T. | Deposit date: | 2003-10-22 | Release date: | 2004-04-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structure of C73G putidaredoxin from Pseudomonas putida. Acta Crystallogr.,Sect.D, 60, 2004
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7KOJ
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![BU of 7koj by Molmil](/molmil-images/mine/7koj) | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder494 inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide, ACETATE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-11-09 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder494 to be published
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