1BYN
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![BU of 1byn by Molmil](/molmil-images/mine/1byn) | SOLUTION STRUCTURE OF THE CALCIUM-BOUND FIRST C2-DOMAIN OF SYNAPTOTAGMIN I | Descriptor: | CALCIUM ION, PROTEIN (SYNAPTOTAGMIN I) | Authors: | Shao, X, Fernandez, I, Sudhof, T.C, Rizo, J. | Deposit date: | 1998-10-18 | Release date: | 1998-10-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structures of the Ca2+-free and Ca2+-bound C2A domain of synaptotagmin I: does Ca2+ induce a conformational change? Biochemistry, 37, 1998
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5XA5
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![BU of 5xa5 by Molmil](/molmil-images/mine/5xa5) | Crystal structure of HMP-1-HMP-2 complex | Descriptor: | Alpha-catenin-like protein hmp-1, Beta-catenin-like protein hmp-2 | Authors: | Shao, X, Kang, H, Weis, W.I, Hardin, J, Choi, H.J. | Deposit date: | 2017-03-11 | Release date: | 2017-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cell-cell adhesion in metazoans relies on evolutionarily conserved features of the alpha-catenin· beta-catenin-binding interface. J.Biol.Chem., 292, 2017
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6IJB
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![BU of 6ijb by Molmil](/molmil-images/mine/6ijb) | Structure of 3-methylmercaptopropionate CoA ligase mutant K523A in complex with AMP and MMPA | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(methylsulfanyl)propanoic acid, ADENOSINE MONOPHOSPHATE, ... | Authors: | Shao, X, Cao, H.Y, Wang, P, Li, C.Y, Zhao, F, Peng, M, Chen, X.L, Zhang, Y.Z. | Deposit date: | 2018-10-09 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.111 Å) | Cite: | Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria. Mol.Microbiol., 111, 2019
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6IJC
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![BU of 6ijc by Molmil](/molmil-images/mine/6ijc) | Structure of MMPA-CoA dehydrogenase from Roseovarius nubinhibens ISM | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-CoA dehydrogenase family protein | Authors: | Shao, X, Yuan, Z.L, Cao, H.Y, Wang, P, Li, C.Y, Chen, X.L, Zhang, Y.Z. | Deposit date: | 2018-10-09 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria. Mol.Microbiol., 111, 2019
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6IHK
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![BU of 6ihk by Molmil](/molmil-images/mine/6ihk) | Structure of MMPA CoA ligase in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AMP-binding domain protein | Authors: | Shao, X, Cao, H.Y, Wang, P, Li, C.Y, Zhao, F, Peng, M, Chen, X.L, Zhang, Y.Z. | Deposit date: | 2018-09-30 | Release date: | 2019-07-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria. Mol.Microbiol., 111, 2019
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2KC5
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6CAA
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![BU of 6caa by Molmil](/molmil-images/mine/6caa) | CryoEM structure of human SLC4A4 sodium-coupled acid-base transporter NBCe1 | Descriptor: | Electrogenic sodium bicarbonate cotransporter 1 | Authors: | Huynh, K.W, Jiang, J, Abuladze, N, Tsirulnikov, K, Kao, L, Shao, X, Newman, D, Azimov, R, Pushkin, A, Zhou, Z.H, Kurtz, I. | Deposit date: | 2018-01-29 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | CryoEM structure of the human SLC4A4 sodium-coupled acid-base transporter NBCe1. Nat Commun, 9, 2018
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2YYF
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![BU of 2yyf by Molmil](/molmil-images/mine/2yyf) | Purification and structural characterization of a D-amino acid containing conopeptide, marmophine, from Conus marmoreus | Descriptor: | M-conotoxin mr12 | Authors: | Huang, F, Du, W, Han, Y, Wang, C. | Deposit date: | 2007-04-29 | Release date: | 2008-04-08 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus. Febs J., 275, 2008
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4C13
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![BU of 4c13 by Molmil](/molmil-images/mine/4c13) | x-ray crystal structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ruane, K.M, Roper, D.I, Fulop, V, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J. | Deposit date: | 2013-08-09 | Release date: | 2013-10-02 | Last modified: | 2021-03-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a first-in-class CDK2 selective degrader for AML differentiation therapy. Nat.Chem.Biol., 2021
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1AC6
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![BU of 1ac6 by Molmil](/molmil-images/mine/1ac6) | |
7B7H
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![BU of 7b7h by Molmil](/molmil-images/mine/7b7h) | The glucuronoyl esterase OtCE15A R268A variant from Opitutus terrae in complex with, and covalently linked to, D-glucuronate | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCINE, ... | Authors: | Mazurkewich, S, Larsbrink, J, Lo Leggio, L. | Deposit date: | 2020-12-10 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanism and biomass association of glucuronoyl esterase: an alpha / beta hydrolase with potential in biomass conversion. Nat Commun, 13, 2022
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1JCK
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4X9Z
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![BU of 4x9z by Molmil](/molmil-images/mine/4x9z) | Dimeric conotoxin alphaD-GeXXA | Descriptor: | alphaD-conotoxin GeXXA from the venom of Conus generalis | Authors: | Xu, S, Zhang, T, Kompella, S, Adams, D, Ding, J, Wang, C. | Deposit date: | 2014-12-12 | Release date: | 2015-12-02 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conotoxin alpha D-GeXXA utilizes a novel strategy to antagonize nicotinic acetylcholine receptors Sci Rep, 5, 2015
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4XZ6
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![BU of 4xz6 by Molmil](/molmil-images/mine/4xz6) | TmoX in complex with TMAO | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Zhang, Y.Z, Li, C.Y. | Deposit date: | 2015-02-04 | Release date: | 2015-08-19 | Last modified: | 2015-10-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanistic Insight into Trimethylamine N-Oxide Recognition by the Marine Bacterium Ruegeria pomeroyi DSS-3 J.Bacteriol., 197, 2015
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1KB5
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![BU of 1kb5 by Molmil](/molmil-images/mine/1kb5) | MURINE T-CELL RECEPTOR VARIABLE DOMAIN/FAB COMPLEX | Descriptor: | ANTIBODY DESIRE-1, KB5-C20 T-CELL ANTIGEN RECEPTOR | Authors: | Housset, D, Mazza, G, Gregoire, C, Piras, C, Malissen, B, Fontecilla-Camps, J.C. | Deposit date: | 1997-04-06 | Release date: | 1998-04-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The three-dimensional structure of a T-cell antigen receptor V alpha V beta heterodimer reveals a novel arrangement of the V beta domain. EMBO J., 16, 1997
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2LMZ
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![BU of 2lmz by Molmil](/molmil-images/mine/2lmz) | |
6AK1
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![BU of 6ak1 by Molmil](/molmil-images/mine/6ak1) | Crystal structure of DmoA from Hyphomicrobium sulfonivorans | Descriptor: | Dimethyl-sulfide monooxygenase | Authors: | Cao, H.Y, Wang, P, Peng, M, Li, C.Y. | Deposit date: | 2018-08-28 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.284 Å) | Cite: | Crystal structure of the dimethylsulfide monooxygenase DmoA from Hyphomicrobium sulfonivorans. Acta Crystallogr.,Sect.F, 74, 2018
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5H5M
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![BU of 5h5m by Molmil](/molmil-images/mine/5h5m) | Crystal structure of HMP-1 M domain | Descriptor: | Alpha-catenin-like protein hmp-1 | Authors: | Kang, H, Bang, I, Weis, W.I, Choi, H.J. | Deposit date: | 2016-11-08 | Release date: | 2017-03-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional characterization of Caenorhabditis elegans alpha-catenin reveals constitutive binding to beta-catenin and F-actin J. Biol. Chem., 292, 2017
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2JQC
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![BU of 2jqc by Molmil](/molmil-images/mine/2jqc) | A L-amino acid mutant of a D-amino acid containing conopeptide | Descriptor: | L-mr12 | Authors: | Huang, F, Du, W, Han, Y, Wang, C, Chi, C. | Deposit date: | 2007-05-31 | Release date: | 2008-04-15 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Purification and structural characterization of a d-amino acid-containing conopeptide, conomarphin, from Conus marmoreus Febs J., 275, 2008
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7CM9
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![BU of 7cm9 by Molmil](/molmil-images/mine/7cm9) | DMSP lyase DddX | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DMSP lyase, SULFATE ION | Authors: | Li, C.Y, Zhang, Y.Z. | Deposit date: | 2020-07-25 | Release date: | 2021-05-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | A novel ATP dependent dimethylsulfoniopropionate lyase in bacteria that releases dimethyl sulfide and acryloyl-CoA. Elife, 10, 2021
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8FYZ
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![BU of 8fyz by Molmil](/molmil-images/mine/8fyz) | Crystal structure of human PARP1 ART domain bound to inhibitor UKTT10 (compound 13) | Descriptor: | (2P)-2-{3-[(4R)-3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl]phenyl}-1H-benzimidazole-4-carboxamide, CITRIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | Deposit date: | 2023-01-27 | Release date: | 2024-02-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks. Biochem.J., 481, 2024
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8FYY
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8G0H
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8FZ1
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![BU of 8fz1 by Molmil](/molmil-images/mine/8fz1) | Crystal structure of human PARP1 ART domain bound to inhibitor UKTT22 (compound 14) | Descriptor: | (2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide, 1,2-ETHANEDIOL, CITRIC ACID, ... | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | Deposit date: | 2023-01-27 | Release date: | 2024-02-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks. Biochem.J., 481, 2024
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6NRH
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![BU of 6nrh by Molmil](/molmil-images/mine/6nrh) | Crystal Structure of human PARP-1 ART domain bound inhibitor UTT63 | Descriptor: | 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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