2NQ0
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![BU of 2nq0 by Molmil](/molmil-images/mine/2nq0) | Solution Structures of a DNA Dodecamer Duplex with a Cisplatin 1,2-d(GG) Intrastrand Cross-Link | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', Cisplatin | Authors: | Wu, Y, Bhattacharyya, D, Chaney, S, Campbell, S. | Deposit date: | 2006-10-30 | Release date: | 2007-06-12 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link Biochemistry, 46, 2007
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2MUW
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![BU of 2muw by Molmil](/molmil-images/mine/2muw) | NOE-based model of the influenza A virus N31S mutant (19-49) bound to drug 11 | Descriptor: | (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2 | Authors: | Wu, Y, Wang, J, DeGrado, W. | Deposit date: | 2014-09-18 | Release date: | 2014-12-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel. J.Am.Chem.Soc., 136, 2014
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2NPW
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![BU of 2npw by Molmil](/molmil-images/mine/2npw) | Solution Structures of a DNA Dodecamer Duplex with a Cisplatin 1,2-d(GG) Intrastrand Cross-Link | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', Cisplatin | Authors: | Wu, Y, Bhattacharyya, D, Chaney, S, Campbell, S. | Deposit date: | 2006-10-30 | Release date: | 2007-06-12 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link Biochemistry, 46, 2007
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4MWR
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![BU of 4mwr by Molmil](/molmil-images/mine/4mwr) | Anhui N9-zanamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | Deposit date: | 2013-09-25 | Release date: | 2013-11-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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4MWX
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![BU of 4mwx by Molmil](/molmil-images/mine/4mwx) | Shanghai N9-zanamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | Deposit date: | 2013-09-25 | Release date: | 2013-11-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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4MWJ
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![BU of 4mwj by Molmil](/molmil-images/mine/4mwj) | Anhui N9 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | Deposit date: | 2013-09-25 | Release date: | 2013-11-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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4MWW
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![BU of 4mww by Molmil](/molmil-images/mine/4mww) | Shanghai N9-oseltamivir carboxylate | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | Deposit date: | 2013-09-25 | Release date: | 2013-11-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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4MWQ
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![BU of 4mwq by Molmil](/molmil-images/mine/4mwq) | Anhui N9-oseltamivir carboxylate | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | Deposit date: | 2013-09-25 | Release date: | 2013-11-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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4NHH
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![BU of 4nhh by Molmil](/molmil-images/mine/4nhh) | Structure of 2G12 IgG Dimer | Descriptor: | 2G12 IgG dimer heavy chain, 2G12 IgG dimer light chain, Hepatitis B virus receptor binding protein | Authors: | Wu, Y, West Jr, A.P, Kim, H.J, Thornton, M.E, Ward, A.B, Bjorkman, P.J. | Deposit date: | 2013-11-05 | Release date: | 2014-02-26 | Method: | X-RAY DIFFRACTION (6.5 Å) | Cite: | Structural basis for enhanced HIV-1 neutralization by a dimeric immunoglobulin G form of the glycan-recognizing antibody 2G12. Cell Rep, 5, 2013
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7V51
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![BU of 7v51 by Molmil](/molmil-images/mine/7v51) | BVMO_negative mutant D432V | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative flavin-binding monooxygenase | Authors: | Wu, Y, Yu, H.-L. | Deposit date: | 2021-08-16 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides. CHINESE J CATAL, 51, 2023
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7V4X
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![BU of 7v4x by Molmil](/molmil-images/mine/7v4x) | Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative flavin-binding monooxygenase | Authors: | Wu, Y, Yu, H. | Deposit date: | 2021-08-15 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides. CHINESE J CATAL, 51, 2023
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7V50
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![BU of 7v50 by Molmil](/molmil-images/mine/7v50) | Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative flavin-binding monooxygenase | Authors: | Wu, Y, Yu, H. | Deposit date: | 2021-08-16 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides. CHINESE J CATAL, 51, 2023
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7VHR
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![BU of 7vhr by Molmil](/molmil-images/mine/7vhr) | Apostichopus japonicus ferritin | Descriptor: | Ferritin, MAGNESIUM ION | Authors: | Wu, Y, Su, X.R, Ming, T.H. | Deposit date: | 2021-09-22 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.756 Å) | Cite: | Crystallographic characterization of a marine invertebrate ferritin from the sea cucumber Apostichopus japonicus. Febs Open Bio, 12, 2022
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7F0I
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![BU of 7f0i by Molmil](/molmil-images/mine/7f0i) | phosphodiesterase-9A in complex with inhibitor 4b | Descriptor: | 1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Wu, Y, Huang, Y.Y, Luo, H.B. | Deposit date: | 2021-06-04 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.70000887 Å) | Cite: | Discovery of Potent Phosphodiesterase-9 Inhibitors for the Treatment of Hepatic Fibrosis J.Med.Chem., 64, 2021
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7Y74
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![BU of 7y74 by Molmil](/molmil-images/mine/7y74) | |
8BOB
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![BU of 8bob by Molmil](/molmil-images/mine/8bob) | Structural basis for negative regulation of the maltose system | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HTH-type transcriptional regulator MalT, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Chai, J, Wu, Y. | Deposit date: | 2022-11-15 | Release date: | 2023-10-18 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Structural basis for negative regulation of the Escherichia coli maltose system. Nat Commun, 14, 2023
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2FPL
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![BU of 2fpl by Molmil](/molmil-images/mine/2fpl) | RadA recombinase in complex with AMP-PNP and low concentration of K+ | Descriptor: | DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Wu, Y, Qian, X, He, Y, Moya, I.A, Luo, Y. | Deposit date: | 2006-01-16 | Release date: | 2006-01-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Methanococcus Voltae Rada in Complex with Adp: hydrolysis-induced conformational change Biochemistry, 44, 2005
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2FPM
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![BU of 2fpm by Molmil](/molmil-images/mine/2fpm) | RadA recombinase in complex with AMP-PNP and high concentration of K+ | Descriptor: | DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Wu, Y, Qian, X, He, Y, Moya, I.A, Luo, Y. | Deposit date: | 2006-01-16 | Release date: | 2006-01-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Methanoccocus Voltae Rada in Complex with Adp: hydrolysis-induced conformational change Biochemistry, 44, 2005
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2FPK
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![BU of 2fpk by Molmil](/molmil-images/mine/2fpk) | RadA recombinase in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA repair and recombination protein radA, MAGNESIUM ION, ... | Authors: | Wu, Y, Qian, X, He, Y, Moya, I.A, Luo, Y. | Deposit date: | 2006-01-16 | Release date: | 2006-01-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Methanococcus Voltae Rada in Complex with Adp: hydrolysis-induced conformational change Biochemistry, 44, 2005
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3TZN
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![BU of 3tzn by Molmil](/molmil-images/mine/3tzn) | |
5J97
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![BU of 5j97 by Molmil](/molmil-images/mine/5j97) | |
5J74
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![BU of 5j74 by Molmil](/molmil-images/mine/5j74) | Fluorogen activating protein AM2.2 in complex with TO1-2p | Descriptor: | 1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium, PHOSPHATE ION, scFv AM2.2 | Authors: | Stanfield, R.L, Wilson, I.A, Wu, Y. | Deposit date: | 2016-04-05 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair. J Biomol Screen, 21, 2016
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5J75
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![BU of 5j75 by Molmil](/molmil-images/mine/5j75) | Fluorogen Activating Protein AM2.2 in complex with ML342 | Descriptor: | N,4-dimethyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide, PHOSPHATE ION, scFv AM2.2 | Authors: | Stanfield, R.L, Wilson, I.A, Wu, Y. | Deposit date: | 2016-04-05 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair. J Biomol Screen, 21, 2016
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4RZV
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![BU of 4rzv by Molmil](/molmil-images/mine/4rzv) | Crystal structure of the BRAF (R509H) kinase domain monomer bound to Vemurafenib | Descriptor: | N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Wu, Y, Gavathiotis, E. | Deposit date: | 2014-12-24 | Release date: | 2016-08-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.994 Å) | Cite: | An integrated model of RAF inhibitor action predicts
inhibitor activity against oncogenic BRAF signaling Cancer Cell, 30, 2016
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4RZW
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![BU of 4rzw by Molmil](/molmil-images/mine/4rzw) | Crystal structure of BRAF (R509H) kinase domain bound to AZ628 | Descriptor: | 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, Serine/threonine-protein kinase B-raf | Authors: | Wu, Y, Gavathiotis, E. | Deposit date: | 2014-12-24 | Release date: | 2016-08-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.493 Å) | Cite: | An integrated model of RAF inhibitor action predicts
inhibitor activity against oncogenic BRAF signaling Cancer Cell, 30, 2016
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