7N19
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7BXG
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![BU of 7bxg by Molmil](/molmil-images/mine/7bxg) | MavC-UBE2N-Ub complex | Descriptor: | MavC, Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 N | Authors: | Gao, P, Wang, Y. | Deposit date: | 2020-04-19 | Release date: | 2020-05-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors. Nat Commun, 11, 2020
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7BXH
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![BU of 7bxh by Molmil](/molmil-images/mine/7bxh) | MavC-Lpg2149 complex | Descriptor: | Lpg2149, MavC | Authors: | Gao, P, Wang, Y. | Deposit date: | 2020-04-19 | Release date: | 2020-05-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors. Nat Commun, 11, 2020
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5H1K
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![BU of 5h1k by Molmil](/molmil-images/mine/5h1k) | Crystal structure of WD40 repeat domains of Gemin5 in complex with 13-nt U4 snRNA fragment | Descriptor: | Gem-associated protein 5, U4 snRNA (5'-R(*GP*CP*AP*AP*UP*UP*UP*UP*UP*GP*AP*CP*A)-3') | Authors: | Wang, Y, Jin, W, Liu, C.P, Yang, N, Jin, M, Cong, Y, Wang, M, Xu, R.M. | Deposit date: | 2016-10-10 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for snRNA recognition by the double-WD40 repeat domain of Gemin5 Genes Dev., 30, 2016
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6K1N
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![BU of 6k1n by Molmil](/molmil-images/mine/6k1n) | PLP-bound form of a putative cystathionine gamma-lyase | Descriptor: | Cystathionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Chen, S, Wang, Y. | Deposit date: | 2019-05-10 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural characterization of cystathionine gamma-lyase smCSE enables aqueous metal quantum dot biosynthesis. Int.J.Biol.Macromol., 174, 2021
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6AEJ
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![BU of 6aej by Molmil](/molmil-images/mine/6aej) | Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-05 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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6AK4
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![BU of 6ak4 by Molmil](/molmil-images/mine/6ak4) | Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-30 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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1FB9
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8SPP
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7PEM
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![BU of 7pem by Molmil](/molmil-images/mine/7pem) | Cryo-EM structure of phophorylated Drs2p-Cdc50p in a PS and ATP-bound E2P state | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Timcenko, M, Wang, Y, Lyons, J.A, Nissen, P, Lindorff-Larsen, K. | Deposit date: | 2021-08-10 | Release date: | 2022-08-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Substrate Transport and Specificity in a Phospholipid Flippase To Be Published
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6J76
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![BU of 6j76 by Molmil](/molmil-images/mine/6j76) | Structure of 3,6-anhydro-L-galactose Dehydrogenase in Complex with NAP | Descriptor: | Aldehyde dehydrogenase A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, P.Y, Wang, Y, Chen, X.L, Zhang, Y.Z. | Deposit date: | 2019-01-17 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.368 Å) | Cite: | 3,6-Anhydro-L-Galactose Dehydrogenase VvAHGD is a Member of a New Aldehyde Dehydrogenase Family and Catalyzes by a Novel Mechanism with Conformational Switch of Two Catalytic Residues Cysteine 282 and Glutamate 248. J.Mol.Biol., 432, 2020
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6J75
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![BU of 6j75 by Molmil](/molmil-images/mine/6j75) | Structure of 3,6-anhydro-L-galactose Dehydrogenase | Descriptor: | Aldehyde dehydrogenase A | Authors: | Li, P.Y, Wang, Y, Chen, X.L, Zhang, Y.Z. | Deposit date: | 2019-01-17 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.695 Å) | Cite: | 3,6-Anhydro-L-Galactose Dehydrogenase VvAHGD is a Member of a New Aldehyde Dehydrogenase Family and Catalyzes by a Novel Mechanism with Conformational Switch of Two Catalytic Residues Cysteine 282 and Glutamate 248. J.Mol.Biol., 432, 2020
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8YZ7
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5FNV
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![BU of 5fnv by Molmil](/molmil-images/mine/5fnv) | a new complex structure of tubulin with an alpha-beta unsaturated lactone | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wang, Y, Naismith, J, Zhu, X. | Deposit date: | 2015-11-16 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Pironetin Reacts Covalently with Cysteine-316 of Alpha-Tubulin to Destabilize Microtubule. Nat.Commun., 7, 2016
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3NYL
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![BU of 3nyl by Molmil](/molmil-images/mine/3nyl) | The X-ray structure of an antiparallel dimer of the human amyloid precursor protein E2 domain | Descriptor: | Amyloid beta (A4) protein (Peptidase nexin-II, Alzheimer disease), isoform CRA_b | Authors: | Ha, Y, Hu, J, Lee, S, Liu, X, Wang, Y. | Deposit date: | 2010-07-15 | Release date: | 2011-07-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The X-ray structure of an antiparallel dimer of the human amyloid precursor protein E2 domain. Mol.Cell, 15, 2004
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7DET
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![BU of 7det by Molmil](/molmil-images/mine/7det) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | Authors: | Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-05 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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5D8Q
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![BU of 5d8q by Molmil](/molmil-images/mine/5d8q) | 2.20A resolution structure of BfrB (L68A) from Pseudomonas aeruginosa | Descriptor: | ARSENIC, Ferroxidase, MAGNESIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | Deposit date: | 2015-08-17 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
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5D8O
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![BU of 5d8o by Molmil](/molmil-images/mine/5d8o) | 1.90A resolution structure of BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa | Descriptor: | Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | Deposit date: | 2015-08-17 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
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5D8Y
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![BU of 5d8y by Molmil](/molmil-images/mine/5d8y) | 2.05A resolution structure of iron bound BfrB (L68A E81A) from Pseudomonas aeruginosa | Descriptor: | ACETATE ION, FE (II) ION, Ferroxidase, ... | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | Deposit date: | 2015-08-18 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
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5D8P
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![BU of 5d8p by Molmil](/molmil-images/mine/5d8p) | 2.35A resolution structure of iron bound BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa | Descriptor: | ACETATE ION, FE (II) ION, Ferroxidase, ... | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | Deposit date: | 2015-08-17 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
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6KZD
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![BU of 6kzd by Molmil](/molmil-images/mine/6kzd) | Crystal structure of TRKc in complex with 3-((6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl)ethynyl)- N-(3-isopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-2- methylbenzamide | Descriptor: | 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide, NT-3 growth factor receptor, PHOSPHATE ION | Authors: | Wang, Y, Zhang, Z.M. | Deposit date: | 2019-09-23 | Release date: | 2019-10-09 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.708 Å) | Cite: | Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors. Eur.J.Med.Chem., 179, 2019
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3I2E
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![BU of 3i2e by Molmil](/molmil-images/mine/3i2e) | Crystal structure of human dimethylarginine dymethylaminohydrolase-1 (DDAH-1) | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Authors: | Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Robertus, J.D, Fast, W. | Deposit date: | 2009-06-29 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide. Biochemistry, 48, 2009
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3I4A
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![BU of 3i4a by Molmil](/molmil-images/mine/3i4a) | Crystal structure of dimethylarginine dimethylaminohydrolase-1 (DDAH-1) in complex with N5-(1-iminopropyl)-L-ornithine | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N5-(1-iminopropyl)-L-ornithine | Authors: | Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Fast, W, Robertus, J.D. | Deposit date: | 2009-07-01 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide. Biochemistry, 48, 2009
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5IY4
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5K13
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![BU of 5k13 by Molmil](/molmil-images/mine/5k13) | Crystal structure of the RAR alpha ligand-binding domain in complex with an antagonist | Descriptor: | 4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1H-pyrazol-3-yl}benzoic acid, Retinoic acid receptor alpha | Authors: | Wang, Y, Stout, S.L. | Deposit date: | 2016-05-17 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification of potent and selective retinoic acid receptor gamma (RAR gamma ) antagonists for the treatment of osteoarthritis pain using structure based drug design. Bioorg.Med.Chem.Lett., 26, 2016
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