2LSP
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![BU of 2lsp by Molmil](/molmil-images/mine/2lsp) | solution structures of BRD4 second bromodomain with NF-kB-K310ac peptide | Descriptor: | Bromodomain-containing protein 4, NF-kB-K310ac peptide | Authors: | Zhang, G, Liu, R, Zhong, Y, Plotnikov, A.N, Zhang, W, Rusinova, E, Gerona-Nevarro, G, Moshkina, N, Joshua, J, Chuang, P.Y, Ohlmeyer, M, He, J, Zhou, M.-M. | Deposit date: | 2012-05-03 | Release date: | 2012-07-18 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Down-regulation of NF-kappa B transcriptional activity in HIV-associated kidney disease by BRD4 inhibition. J.Biol.Chem., 287, 2012
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3C6R
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![BU of 3c6r by Molmil](/molmil-images/mine/3c6r) | Low pH Immature Dengue Virus | Descriptor: | Envelope protein, Peptide pr | Authors: | Yu, I, Zhang, W, Holdway, H.A, Li, L, Kostyuchenko, V.A, Chipman, P.R, Kuhn, R.J, Rossmann, M.G, Chen, J. | Deposit date: | 2008-02-05 | Release date: | 2008-04-22 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (25 Å) | Cite: | Structure of the immature dengue virus at low pH primes proteolytic maturation Science, 319, 2008
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2L84
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![BU of 2l84 by Molmil](/molmil-images/mine/2l84) | Solution NMR structures of CBP bromodomain with small molecule j28 | Descriptor: | 5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid, CREB-binding protein | Authors: | Borah, J.C, Mujtaba, S, Karakikes, I, Zeng, L, Muller, M, Patel, J, Moshkina, N, Morohashi, K, Zhang, W, Gerona-Navarro, G, Hajjar, R.J, Zhou, M. | Deposit date: | 2011-01-03 | Release date: | 2011-01-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes. Chem.Biol., 18, 2011
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7C8U
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![BU of 7c8u by Molmil](/molmil-images/mine/7c8u) | The crystal structure of COVID-19 main protease in complex with GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | Authors: | Luan, X, Shang, W, Wang, Y, Yin, W, Jiang, Y, Feng, S, Wang, Y, Liu, M, Zhou, R, Zhang, Z, Wang, F, Cheng, W, Gao, M, Wang, H, Wu, W, Tian, R, Tian, Z, Jin, Y, Jiang, H.W, Zhang, L, Xu, H.E, Zhang, S. | Deposit date: | 2020-06-03 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The crystal structure of COVID-19 main protease in complex with GC376 To Be Published
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4YY1
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![BU of 4yy1 by Molmil](/molmil-images/mine/4yy1) | The structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013) in complex with human receptor analog 6'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, ... | Authors: | Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F. | Deposit date: | 2015-03-23 | Release date: | 2016-03-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013) To Be Published
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4FQA
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![BU of 4fqa by Molmil](/molmil-images/mine/4fqa) | |
4YY9
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![BU of 4yy9 by Molmil](/molmil-images/mine/4yy9) | The structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, HA2, ... | Authors: | Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F. | Deposit date: | 2015-03-23 | Release date: | 2016-04-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) at 2.6 Angstroms resolution To Be Published
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4YY7
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![BU of 4yy7 by Molmil](/molmil-images/mine/4yy7) | The structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013) in complex with avian receptor analog 3'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, ... | Authors: | Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F. | Deposit date: | 2015-03-23 | Release date: | 2016-03-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013) To Be Published
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4YYA
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![BU of 4yya by Molmil](/molmil-images/mine/4yya) | The structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) in complex with avian receptor analog 3'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, HA2, ... | Authors: | Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F. | Deposit date: | 2015-03-23 | Release date: | 2016-04-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.595 Å) | Cite: | Structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013) To Be Published
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5HTP
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![BU of 5htp by Molmil](/molmil-images/mine/5htp) | |
5HU2
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![BU of 5hu2 by Molmil](/molmil-images/mine/5hu2) | |
4PXZ
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![BU of 4pxz by Molmil](/molmil-images/mine/4pxz) | Crystal structure of P2Y12 receptor in complex with 2MeSADP | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), CHOLESTEROL, ... | Authors: | Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR) | Deposit date: | 2014-03-25 | Release date: | 2014-04-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Agonist-bound structure of the human P2Y12 receptor Nature, 509, 2014
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4PY0
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![BU of 4py0 by Molmil](/molmil-images/mine/4py0) | Crystal structure of P2Y12 receptor in complex with 2MeSATP | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), P2Y purinoceptor 12, ... | Authors: | Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR) | Deposit date: | 2014-03-25 | Release date: | 2014-04-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Agonist-bound structure of the human P2Y12 receptor Nature, 509, 2014
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8DMF
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![BU of 8dmf by Molmil](/molmil-images/mine/8dmf) | Cryo-EM structure of the ribosome-bound Bacteroides thetaiotaomicron EF-G2 | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Tetracycline resistance protein TetQ | Authors: | Wang, C, Han, W, Groisman, E.A, Liu, J. | Deposit date: | 2022-07-08 | Release date: | 2023-01-04 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Gut colonization by Bacteroides requires translation by an EF-G paralog lacking GTPase activity. Embo J., 2022
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5FI4
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![BU of 5fi4 by Molmil](/molmil-images/mine/5fi4) | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model | Descriptor: | GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | Authors: | Elling, R.A, Knapp, M.S, Han, W, Daniel, L.M, Xy, Y, Burger, M.T, Ni, Z, Smith, A, Lan, J, Williams, T, Verhagen, J, Huh, K, Merritt, H, Chan, J, Kaufman, S, Voliva, C.F, Pecchi, S. | Deposit date: | 2015-12-22 | Release date: | 2016-02-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model. Bioorg.Med.Chem.Lett., 26, 2016
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2AMS
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![BU of 2ams by Molmil](/molmil-images/mine/2ams) | Structure of the oxidized Hipip from thermochromatium tepidum at 1.4 angstrom resolution | Descriptor: | GLYCEROL, High potential iron-sulfur protein, IRON/SULFUR CLUSTER, ... | Authors: | Hunsicker-Wang, L.M, Han, W, Stout, C.D, Noodleman, L, Fee, J.A. | Deposit date: | 2005-08-10 | Release date: | 2006-08-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Geometric factors determine, in part, the electronic state of the 4Fe-4S cluster of Hipip from thermochromtium tepidum: a geomteric, crystallographic, and theoretical study. To be Published
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4NTJ
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![BU of 4ntj by Molmil](/molmil-images/mine/4ntj) | Structure of the human P2Y12 receptor in complex with an antithrombotic drug | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12, ... | Authors: | Zhang, K, Zhang, J, Gao, Z.-G, Zhang, D, Zhu, L, Han, G.W, Moss, S.M, Paoletta, S, Kiselev, E, Lu, W, Fenalti, G, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR) | Deposit date: | 2013-12-02 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structure of the human P2Y12 receptor in complex with an antithrombotic drug Nature, 509, 2014
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6L6W
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![BU of 6l6w by Molmil](/molmil-images/mine/6l6w) | The structure of ScoE with intermediate | Descriptor: | (3R)-3-[[(1R)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid, FE (II) ION, FORMIC ACID, ... | Authors: | Chen, T.Y, Chen, J, Zhou, J, Chang, W. | Deposit date: | 2019-10-29 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Pathway from N-Alkylglycine to Alkylisonitrile Catalyzed by Iron(II) and 2-Oxoglutarate-Dependent Oxygenases. Angew.Chem.Int.Ed.Engl., 59, 2020
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4V52
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![BU of 4v52 by Molmil](/molmil-images/mine/4v52) | Crystal structure of the bacterial ribosome from Escherichia coli in complex with neomycin. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D. | Deposit date: | 2007-06-15 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Structural basis for aminoglycoside inhibition of bacterial ribosome recycling. Nat.Struct.Mol.Biol., 14, 2007
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4V54
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![BU of 4v54 by Molmil](/molmil-images/mine/4v54) | Crystal structure of the bacterial ribosome from Escherichia coli in complex with ribosome recycling factor (RRF). | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D. | Deposit date: | 2007-06-16 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis for aminoglycoside inhibition of bacterial ribosome recycling. Nat.Struct.Mol.Biol., 14, 2007
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4V4Q
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![BU of 4v4q by Molmil](/molmil-images/mine/4v4q) | Crystal structure of the bacterial ribosome from Escherichia coli at 3.5 A resolution. | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Schuwirth, B.S, Borovinskaya, M.A, Hau, C.W, Zhang, W, Vila-Sanjurjo, A, Holton, J.M, Cate, J.H.D. | Deposit date: | 2005-08-30 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | Structures of the bacterial ribosome at 3.5 A resolution. Science, 310, 2005
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8OR1
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![BU of 8or1 by Molmil](/molmil-images/mine/8or1) | Co-crystal strucutre of PD-L1 with low molecular weight inhibitor | Descriptor: | 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1 | Authors: | Zhang, H, Zhou, S, Wu, C, Zhu, M, Yu, Q, Wang, X, Awadasseid, A, Plewka, J, Magiera-Mularz, K, Wu, Y, Zhang, W. | Deposit date: | 2023-04-12 | Release date: | 2023-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Design, Synthesis, and Antitumor Activity Evaluation of 2-Arylmethoxy-4-(2,2'-dihalogen-substituted biphenyl-3-ylmethoxy) Benzylamine Derivatives as Potent PD-1/PD-L1 Inhibitors. J.Med.Chem., 66, 2023
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7VYV
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![BU of 7vyv by Molmil](/molmil-images/mine/7vyv) | Cryo-EM structure of Depo32, a Klebsiella phage depolymerase targets the K2 serotype K. pneumoniae | Descriptor: | Depolymerase | Authors: | Cai, R, Ren, Z, Zhao, R, Wang, X, Guo, Z, Du, R, Han, W, Ru, H, Gu, J. | Deposit date: | 2021-11-15 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.32 Å) | Cite: | Depo32, a depolymerase of Klebsiella phage, efficiently controls infection caused by Klebsiella pneumoniae with K2 serotype CPS To Be Published
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7VZ3
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![BU of 7vz3 by Molmil](/molmil-images/mine/7vz3) | Cryo-EM structure of Depo32, a Klebsiella phage depolymerase targets the K2 serotype K. pneumoniae | Descriptor: | Depolymerase | Authors: | Cai, R, Ren, Z, Zhao, R, Wang, X, Guo, Z, Du, R, Han, W, Ru, H, Gu, J. | Deposit date: | 2021-11-15 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.46 Å) | Cite: | Depo32, a depolymerase of Klebsiella phage, efficiently controls infection caused by Klebsiella pneumoniae with K2 serotype CPS To Be Published
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7UVP
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![BU of 7uvp by Molmil](/molmil-images/mine/7uvp) | |