1EYF
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![BU of 1eyf by Molmil](/molmil-images/mine/1eyf) | REFINED STRUCTURE OF THE DNA METHYL PHOSPHOTRIESTER REPAIR DOMAIN OF E. COLI ADA | Descriptor: | ADA REGULATORY PROTEIN, ZINC ION | Authors: | Lin, Y, Dotsch, V, Wintner, T, Peariso, K, Myers, L.C, Penner-Hahn, J.E, Verdine, G.L, Wagner, G. | Deposit date: | 2000-05-06 | Release date: | 2003-09-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural basis for the functional switch of the E. coli Ada protein Biochemistry, 40, 2001
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3M3A
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![BU of 3m3a by Molmil](/molmil-images/mine/3m3a) | The roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin: Cu(II)-I107E FeBMb (Cu(II) binding to FeB site) | Descriptor: | COPPER (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Tian, S, Robinson, H, Lu, Y. | Deposit date: | 2010-03-08 | Release date: | 2010-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin. Proc.Natl.Acad.Sci.USA, 107, 2010
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3M39
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![BU of 3m39 by Molmil](/molmil-images/mine/3m39) | The roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin: Fe(II)-I107E FeBMb (Fe(II) binding to FeB site) | Descriptor: | FE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Tian, S, Robinson, H, Lu, Y. | Deposit date: | 2010-03-08 | Release date: | 2010-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin. Proc.Natl.Acad.Sci.USA, 107, 2010
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3M38
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![BU of 3m38 by Molmil](/molmil-images/mine/3m38) | The roles of Glutamates and Metal ions in a rationally designed nitric oxide reductase based on myoglobin: I107E FeBMb (No metal ion binding to FeB site) | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Tian, S, Robinson, H, Lu, Y. | Deposit date: | 2010-03-08 | Release date: | 2010-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin. Proc.Natl.Acad.Sci.USA, 107, 2010
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5I10
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![BU of 5i10 by Molmil](/molmil-images/mine/5i10) | Crystal structure of spinosyn rhamnosyl 4'-O-methyltransferase spnh mutant T242Q from Saccharopolyspora Spinosa | Descriptor: | MAGNESIUM ION, Probable O-methyltransferase | Authors: | Lin, Y.-C, Huang, S.-P, Huang, B.-L, Chen, Y.-H, Chen, Y.-J, Chiu, H.-T. | Deposit date: | 2016-02-05 | Release date: | 2017-02-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of spinosyn rhamnosyl 4'-O-methyltransferase spnh mutant T242Q from Saccharopolyspora Spinosa To Be Published
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9BB1
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![BU of 9bb1 by Molmil](/molmil-images/mine/9bb1) | |
9BB7
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![BU of 9bb7 by Molmil](/molmil-images/mine/9bb7) | |
9BB5
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![BU of 9bb5 by Molmil](/molmil-images/mine/9bb5) | |
9BB4
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![BU of 9bb4 by Molmil](/molmil-images/mine/9bb4) | |
9BB2
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![BU of 9bb2 by Molmil](/molmil-images/mine/9bb2) | |
9BB3
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![BU of 9bb3 by Molmil](/molmil-images/mine/9bb3) | |
9BB6
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![BU of 9bb6 by Molmil](/molmil-images/mine/9bb6) | |
4QAU
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![BU of 4qau by Molmil](/molmil-images/mine/4qau) | Crystal structure of F43Y mutant of sperm whale myoglobin | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lin, Y, Tan, X, Li, W. | Deposit date: | 2014-05-06 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.597 Å) | Cite: | A Novel Tyrosine-Heme C-O Covalent Linkage in F43Y Myoglobin: A New Post-translational Modification of Heme Proteins Chembiochem, 16, 2015
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6MO1
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![BU of 6mo1 by Molmil](/molmil-images/mine/6mo1) | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | Descriptor: | 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine, FLAVIVIRUS_NS2B/Peptidase S7 | Authors: | Lin, Y.-L, Hua, Y, Nie, S, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | Deposit date: | 2018-10-03 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease. J.Am.Chem.Soc., 141, 2019
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6MO0
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![BU of 6mo0 by Molmil](/molmil-images/mine/6mo0) | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | Descriptor: | 1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine, FLAVIVIRUS_NS2B/Peptidase S7 | Authors: | Lin, Y.-L, Nie, S, Hua, Y, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | Deposit date: | 2018-10-03 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease. J. Am. Chem. Soc., 141, 2019
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6MO2
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![BU of 6mo2 by Molmil](/molmil-images/mine/6mo2) | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | Descriptor: | 1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine, FLAVIVIRUS_NS2B/Peptidase S7 | Authors: | Lin, Y.-L, Nie, S, Hua, Y, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | Deposit date: | 2018-10-03 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease. J.Am.Chem.Soc., 141, 2019
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5K29
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![BU of 5k29 by Molmil](/molmil-images/mine/5k29) | Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000) | Descriptor: | UNKNOWN ATOM OR ION, uncharacterized protein BDF5 | Authors: | Lin, Y.H, Tempel, W, Walker, J.R, Loppnau, P, Amani, M, Hou, C.F.D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2016-05-18 | Release date: | 2016-07-13 | Last modified: | 2016-11-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000) To Be Published
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6NIM
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![BU of 6nim by Molmil](/molmil-images/mine/6nim) | Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine | Descriptor: | Bromodomain factor 2 protein, Bromosporine, SULFATE ION, ... | Authors: | Lin, Y.H, Dong, A, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-29 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine to be published
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6NP7
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![BU of 6np7 by Molmil](/molmil-images/mine/6np7) | Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20) | Descriptor: | Bromodomain factor 2 protein | Authors: | Lin, Y.H, Dong, A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Harding, R.J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-01-17 | Release date: | 2019-02-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20) to be published
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6NEZ
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![BU of 6nez by Molmil](/molmil-images/mine/6nez) | Trypanosoma brucei - BDF5, Tb427tmp.01.5000 A, solved with PF-CBP1 | Descriptor: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole, UNKNOWN ATOM OR ION, Uncharacterized protein | Authors: | Lin, Y.H, Dong, A, Tempel, W, McAuley, J, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R.J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-18 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Trypanosoma brucei - BDF5, Tb427tmp.01.5000 A, solved with PF-CBP1 to be published
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8GRZ
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![BU of 8grz by Molmil](/molmil-images/mine/8grz) | |
8FPW
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![BU of 8fpw by Molmil](/molmil-images/mine/8fpw) | |
8FPX
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![BU of 8fpx by Molmil](/molmil-images/mine/8fpx) | |
8J0A
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![BU of 8j0a by Molmil](/molmil-images/mine/8j0a) | Robust design of effective allosteric activator UbV R4 for Rsp5 E3 ligase using the machine-learning tool ProteinMPNN | Descriptor: | SULFATE ION, Ubiquitin variant R4 | Authors: | Lin, Y.-F, Hsieh, Y.-J, Kao, H.-W, Ko, T.-P, Wu, K.-P. | Deposit date: | 2023-04-10 | Release date: | 2023-08-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Robust Design of Effective Allosteric Activators for Rsp5 E3 Ligase Using the Machine Learning Tool ProteinMPNN. Acs Synth Biol, 12, 2023
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5XGF
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![BU of 5xgf by Molmil](/molmil-images/mine/5xgf) | |