5X3R
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![BU of 5x3r by Molmil](/molmil-images/mine/5x3r) | Crystal structure of the SmcR complexed with QStatin | Descriptor: | 1-(5-bromanylthiophen-2-yl)sulfonylpyrazole, LuxR family transcriptional regulator, SULFATE ION | Authors: | Jang, S.Y, Hwang, J, Kim, M.H. | Deposit date: | 2017-02-07 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | QStatin, a Selective Inhibitor of Quorum Sensing inVibrioSpecies MBio, 9, 2018
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6KYV
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![BU of 6kyv by Molmil](/molmil-images/mine/6kyv) | Crystal Structure of RIG-I and hairpin RNA with G-U wobble base pairs | Descriptor: | Probable ATP-dependent RNA helicase DDX58, RNA (5'-R(*GP*GP*UP*AP*GP*AP*CP*GP*CP*UP*UP*CP*GP*GP*CP*GP*UP*UP*UP*GP*CP*C)-3'), ZINC ION | Authors: | Kim, K.-H, Hwang, J, Kim, J.H, Son, K.-P, Jang, Y, Kim, M, Kang, S.-J, Lee, J.-O, Choi, B.-S. | Deposit date: | 2019-09-20 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and biophysical properties of RIG-I bound to dsRNA with G-U wobble base pairs. Rna Biol., 17, 2020
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6L0Y
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![BU of 6l0y by Molmil](/molmil-images/mine/6l0y) | Structure of dsRNA with G-U wobble base pairs | Descriptor: | RNA (5'-R(*GP*GP*UP*AP*GP*AP*CP*GP*CP*UP*UP*CP*GP*GP*CP*GP*UP*UP*UP*GP*CP*C)-3') | Authors: | Kim, K.-H, Hwang, J, Kim, J.H, Son, K.-P, Jang, Y, Kim, M, Kang, S.-J, Lee, J.-O, Choi, B.-S. | Deposit date: | 2019-09-27 | Release date: | 2020-09-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of dsRNA with G-U wobble base pairs To Be Published
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3I0O
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![BU of 3i0o by Molmil](/molmil-images/mine/3i0o) | Crystal Structure of Spectinomycin Phosphotransferase, APH(9)-Ia, in complex with ADP and Spectinomcyin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NICKEL (II) ION, ... | Authors: | Fong, D.H, Lemke, C.T, Hwang, J, Xiong, B, Berghuis, A.M. | Deposit date: | 2009-06-25 | Release date: | 2010-01-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the antibiotic resistance factor spectinomycin phosphotransferase from Legionella pneumophila. J.Biol.Chem., 285, 2010
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3I1A
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![BU of 3i1a by Molmil](/molmil-images/mine/3i1a) | Crystal Structure of apo Spectinomycin Phosphotransferase, APH(9)-Ia | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Spectinomycin phosphotransferase, ... | Authors: | Berghuis, A.M, Fong, D.H, Lemke, C.T, Hwang, J, Xiong, B. | Deposit date: | 2009-06-25 | Release date: | 2010-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the antibiotic resistance factor spectinomycin phosphotransferase from Legionella pneumophila. J.Biol.Chem., 285, 2010
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7CS1
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![BU of 7cs1 by Molmil](/molmil-images/mine/7cs1) | Aminoglycoside 2'-N-acetyltransferase from Mycolicibacterium smegmatis-Complex with Coenzyme A and Neomycin | Descriptor: | Aminoglycoside 2'-N-acetyltransferase, COENZYME A, NEOMYCIN | Authors: | Jeong, C.S, Hwang, J, Do, H, Lee, J.H. | Deposit date: | 2020-08-14 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.966 Å) | Cite: | Structural and biochemical analyses of an aminoglycoside 2'-N-acetyltransferase from Mycolicibacterium smegmatis. Sci Rep, 10, 2020
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7CSI
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![BU of 7csi by Molmil](/molmil-images/mine/7csi) | Aminoglycoside 2'-N-acetyltransferase from Mycolicibacterium smegmatis-Complex with Coenzyme A and Sisomicin | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, Aminoglycoside 2'-N-acetyltransferase, COENZYME A | Authors: | Jeong, C.S, Hwang, J, Do, H, Lee, J.H. | Deposit date: | 2020-08-14 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural and biochemical analyses of an aminoglycoside 2'-N-acetyltransferase from Mycolicibacterium smegmatis. Sci Rep, 10, 2020
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7CSJ
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![BU of 7csj by Molmil](/molmil-images/mine/7csj) | Aminoglycoside 2'-N-acetyltransferase from Mycolicibacterium smegmatis-Complex with Coenzyme A and Gentamicin | Descriptor: | Aminoglycoside 2'-N-acetyltransferase, COENZYME A, gentamicin C1 | Authors: | Jeong, C.S, Hwang, J, Do, H, Lee, J.H. | Deposit date: | 2020-08-14 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.168 Å) | Cite: | Structural and biochemical analyses of an aminoglycoside 2'-N-acetyltransferase from Mycolicibacterium smegmatis. Sci Rep, 10, 2020
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7CRM
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![BU of 7crm by Molmil](/molmil-images/mine/7crm) | Aminoglycoside 2'-N-acetyltransferase from Mycolicibacterium smegmatis-APO Structure | Descriptor: | 1,2-ETHANEDIOL, Aminoglycoside 2'-N-acetyltransferase | Authors: | Jeong, C.S, Hwang, J, Do, H, Lee, J.H. | Deposit date: | 2020-08-13 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.487 Å) | Cite: | Structural and biochemical analyses of an aminoglycoside 2'-N-acetyltransferase from Mycolicibacterium smegmatis. Sci Rep, 10, 2020
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7CS0
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![BU of 7cs0 by Molmil](/molmil-images/mine/7cs0) | Aminoglycoside 2'-N-acetyltransferase from Mycolicibacterium smegmatis-Complex with Coenzyme A and Paromomycin | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aminoglycoside 2'-N-acetyltransferase, ... | Authors: | Jeong, C.S, Hwang, J, Do, H, Lee, J.H. | Deposit date: | 2020-08-14 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural and biochemical analyses of an aminoglycoside 2'-N-acetyltransferase from Mycolicibacterium smegmatis. Sci Rep, 10, 2020
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7D5Y
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![BU of 7d5y by Molmil](/molmil-images/mine/7d5y) | |
7ENY
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![BU of 7eny by Molmil](/molmil-images/mine/7eny) | Crystal structure of hydroxysteroid dehydrogenase from Escherichia coli | Descriptor: | 7alpha-hydroxysteroid dehydrogenase | Authors: | Kim, K.-H, Lee, C.W, Pardhe, D.P, Hwang, J, Do, H, Lee, Y.M, Lee, J.H, Oh, T.-J. | Deposit date: | 2021-04-21 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Crystal structure of an apo 7 alpha-hydroxysteroid dehydrogenase reveals key structural changes induced by substrate and co-factor binding. J.Steroid Biochem.Mol.Biol., 212, 2021
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1K6Y
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![BU of 1k6y by Molmil](/molmil-images/mine/1k6y) | Crystal Structure of a Two-Domain Fragment of HIV-1 Integrase | Descriptor: | Integrase, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Wang, J, Ling, H, Yang, W, Craigie, R. | Deposit date: | 2001-10-17 | Release date: | 2001-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of a two-domain fragment of HIV-1 integrase: implications for domain organization in the intact protein. EMBO J., 20, 2001
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8X71
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![BU of 8x71 by Molmil](/molmil-images/mine/8x71) | Crystal structure of Peroxiredoxin I in complex with compound 19-064 | Descriptor: | Peroxiredoxin-1, methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate | Authors: | Zhang, H, Luo, C. | Deposit date: | 2023-11-22 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors. J.Med.Chem., 67, 2024
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8YSA
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![BU of 8ysa by Molmil](/molmil-images/mine/8ysa) | The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H102 | Descriptor: | 3C-like proteinase nsp5, BOC-TBG-PHE-ELL | Authors: | Zheng, W.Y, Fu, L.F, Feng, Y, Han, P, Qi, J.X. | Deposit date: | 2024-03-22 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery, Biological Activity, and Structural Mechanism of a Potent Inhibitor of SARS-CoV-2 Main Protease To Be Published
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9FMM
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![BU of 9fmm by Molmil](/molmil-images/mine/9fmm) | Structure of human ACE2 in complex with a fluorinated small molecule inhibitor | Descriptor: | (2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Benoit, R.B, Rodrigues, M.J, Wieser, M.M. | Deposit date: | 2024-06-06 | Release date: | 2024-07-17 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Development of radiofluorinated MLN-4760 derivatives for PET imaging of the SARS-CoV-2 entry receptor ACE2. Eur J Nucl Med Mol Imaging, 2024
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8HUW
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![BU of 8huw by Molmil](/molmil-images/mine/8huw) | Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with S217622 | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Wang, J, Zhang, J, Li, J. | Deposit date: | 2022-12-24 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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7V6A
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![BU of 7v6a by Molmil](/molmil-images/mine/7v6a) | Cry-EM structure of M4-c110-G protein complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T. | Deposit date: | 2021-08-20 | Release date: | 2022-05-11 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands. Nat Commun, 13, 2022
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7V69
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![BU of 7v69 by Molmil](/molmil-images/mine/7v69) | Cryo-EM structure of a class A GPCR-G protein complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T. | Deposit date: | 2021-08-20 | Release date: | 2022-05-11 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands. Nat Commun, 13, 2022
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7V68
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![BU of 7v68 by Molmil](/molmil-images/mine/7v68) | An Agonist and PAM-bound Class A GPCR with Gi protein complex structure | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Wang, J.J, Wu, L.J, Wu, M, Hua, T, Liu, Z.J, Wang, T. | Deposit date: | 2021-08-20 | Release date: | 2022-05-11 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands. Nat Commun, 13, 2022
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2CCP
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![BU of 2ccp by Molmil](/molmil-images/mine/2ccp) | X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE | Authors: | Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J. | Deposit date: | 1990-02-28 | Release date: | 1991-07-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis. Biochemistry, 29, 1990
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1NFD
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![BU of 1nfd by Molmil](/molmil-images/mine/1nfd) | AN ALPHA-BETA T CELL RECEPTOR (TCR) HETERODIMER IN COMPLEX WITH AN ANTI-TCR FAB FRAGMENT DERIVED FROM A MITOGENIC ANTIBODY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H57 FAB, N15 ALPHA-BETA T-CELL RECEPTOR | Authors: | Wang, J.-H, Lim, K, Smolyar, A, Teng, M.-K, Sacchittini, J, Reinherz, E.L. | Deposit date: | 1997-08-04 | Release date: | 1998-01-28 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Atomic structure of an alphabeta T cell receptor (TCR) heterodimer in complex with an anti-TCR fab fragment derived from a mitogenic antibody. EMBO J., 17, 1998
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4CCP
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![BU of 4ccp by Molmil](/molmil-images/mine/4ccp) | X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE | Authors: | Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J. | Deposit date: | 1990-02-28 | Release date: | 1991-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis. Biochemistry, 29, 1990
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3N2Y
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![BU of 3n2y by Molmil](/molmil-images/mine/3n2y) | |
6IEG
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![BU of 6ieg by Molmil](/molmil-images/mine/6ieg) | Crystal structure of human MTR4 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION | Authors: | Chen, J.Y, Yun, C.H. | Deposit date: | 2018-09-14 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction. Genes Dev., 33, 2019
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