6Q1F
 
 | | Atomic structure of the Human Herpesvirus 6B Capsid and Capsid-Associated Tegument Complexes | | Descriptor: | Large structural phosphoprotein, Major capsid protein, Small capsomere-interacting protein, ... | | Authors: | Zhang, Y.B, Liu, W, Li, Z.H, Kumar, V, Alvarez-Cabrera, A.L, Leibovitch, E, Cui, Y.X, Mei, Y, Bi, G.Q, Jacobson, S, Zhou, Z.H. | | Deposit date: | 2019-08-03 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | Atomic structure of the human herpesvirus 6B capsid and capsid-associated tegument complexes.
Nat Commun, 10, 2019
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6PS4
 | | XFEL beta2 AR structure by ligand exchange from Timolol to ICI-118551. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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6PS8
 | | XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin. | | Descriptor: | Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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6PS5
 | | XFEL beta2 AR structure by ligand exchange from Timolol to Propranolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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6PS2
 | | XFEL beta2 AR structure by ligand exchange from Timolol to Alprenolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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5ET1
 | | Crystal structure of Myo3b-ARB1 in complex with Espin1-AR | | Descriptor: | Espin, GLYCEROL, Myosin-IIIb | | Authors: | Liu, H, Li, J, liu, W, Zhang, M. | | Deposit date: | 2015-11-17 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Myosin III-mediated cross-linking and stimulation of actin bundling activity of Espin
Elife, 5, 2016
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6KY5
 | | Crystal structure of a hydrolase mutant | | Descriptor: | PET hydrolase, SULFATE ION | | Authors: | Cui, Y.L, Chen, Y.C, Liu, X.Y, Dong, S.J, Han, J, Xiang, H, Chen, Q, Liu, H.Y, Han, X, Liu, W.D, Tang, S.Y, Wu, B. | | Deposit date: | 2019-09-16 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Computational redesign of PETase for plasticbiodegradation by GRAPE strategy.
Biorxiv, 2020
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3VSG
 | | Crystal structure of iron free 1,6-APD, 2-Animophenol-1,6-Dioxygenase | | Descriptor: | 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit, 2-amino-5-chlorophenol 1,6-dioxygenase beta subunit | | Authors: | Li, D.F, Hou, Y.J, Hu, Y, Wang, D.C, Liu, W. | | Deposit date: | 2012-04-25 | | Release date: | 2013-01-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
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3VSI
 | | Crystal structure of native 1,6-APD (2-Animophenol-1,6-dioxygenase) complex with 4-Nitrocatechol | | Descriptor: | 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit, 2-amino-5-chlorophenol 1,6-dioxygenase beta subunit, 4-NITROCATECHOL, ... | | Authors: | Li, D.F, Hou, Y.J, Hu, Y, Wang, D.C, Liu, W. | | Deposit date: | 2012-04-25 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
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3VSJ
 | | Crystal structure of 1,6-APD (2-ANIMOPHENOL-1,6-DIOXYGENASE) complexed with intermediate products | | Descriptor: | (2Z,4Z)-2-imino-6-oxohex-4-enoic acid, (3E)-3-iminooxepin-2(3H)-one, 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit, ... | | Authors: | Li, D.F, Hou, Y.J, Hu, Y, Wang, D.C, Liu, W. | | Deposit date: | 2012-04-25 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
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3VSH
 | | Crystal structure of native 1,6-APD (with Iron), 2-Animophenol-1,6-Dioxygenase | | Descriptor: | 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit, 2-amino-5-chlorophenol 1,6-dioxygenase beta subunit, FE (II) ION | | Authors: | Li, D.F, Hou, Y.J, Hu, Y, Wang, D.C, Liu, W. | | Deposit date: | 2012-04-25 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
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2YHV
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5ET0
 | | Crystal structure of Myo3b-ARB2 in complex with Espin1-AR | | Descriptor: | Espin, Myosin-IIIb | | Authors: | Liu, H, Li, J, Liu, W, Zhang, M. | | Deposit date: | 2015-11-17 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Myosin III-mediated cross-linking and stimulation of actin bundling activity of Espin
Elife, 5, 2016
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4W2R
 | | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | | Descriptor: | 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | | Deposit date: | 2017-09-25 | | Release date: | 2017-12-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
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4O9R
 | | Human Smoothened Receptor structure in complex with cyclopamine | | Descriptor: | Cyclopamine, Smoothened homolog/Soluble cytochrome b562 chimeric protein | | Authors: | Wang, C, Weierstall, U, James, D, White, T.A, Wang, D, Liu, W, Spence, J.C.H, Doak, R.B, Nelson, G, Fromme, P, Fromme, R, Grotjohann, I, Kupitz, C, Zatsepin, N.A, Liu, H, Basu, S, Wacker, D, Han, G.W, Katritch, V, Boutet, S, Messerschmidt, M, Willams, G.J, Koglin, J.E, Seibert, M.M, Klinker, M, Gati, C, Shoeman, R.L, Barty, A, Chapman, H.N, Kirian, R.A, Beyerlein, K.R, Stevens, R.C, Li, D, Shah, S.T.A, Howe, N, Caffrey, M, Cherezov, V, GPCR Network (GPCR) | | Deposit date: | 2014-01-02 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.204 Å) | | Cite: | Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography.
Nat Commun, 5, 2014
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5HEK
 | | crystal structure of M1.HpyAVI | | Descriptor: | Adenine specific DNA methyltransferase (DpnA) | | Authors: | Ma, B, Zhang, H, Liu, W. | | Deposit date: | 2016-01-06 | | Release date: | 2016-11-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Biochemical and structural characterization of a DNA N6-adenine methyltransferase from Helicobacter pylori
Oncotarget, 7, 2016
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4WJ7
 | | CCM2 PTB domain in complex with KRIT1 NPxY/F3 | | Descriptor: | KRIT1 NPxY/F3, Malcavernin | | Authors: | Fisher, O.S, Liu, W, Zhang, R, Stiegler, A.L, Boggon, T.J. | | Deposit date: | 2014-09-29 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.753 Å) | | Cite: | Structural Basis for the Disruption of the Cerebral Cavernous Malformations 2 (CCM2) Interaction with Krev Interaction Trapped 1 (KRIT1) by Disease-associated Mutations.
J.Biol.Chem., 290, 2015
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1AJ4
 | | STRUCTURE OF CALCIUM-SATURATED CARDIAC TROPONIN C, NMR, 1 STRUCTURE | | Descriptor: | CALCIUM ION, TROPONIN C | | Authors: | Sia, S.K, Li, M.X, Spyracopoulos, L, Gagne, S.M, Liu, W, Putkey, J.A, Sykes, B.D. | | Deposit date: | 1997-05-14 | | Release date: | 1998-05-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of cardiac muscle troponin C unexpectedly reveals a closed regulatory domain.
J.Biol.Chem., 272, 1997
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5I77
 | | Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, Y.J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | Deposit date: | 2016-02-17 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase
Biochem. Biophys. Res. Commun., 475, 2016
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8TES
 | | Human cytomegalovirus portal vertex, virion configuration 2 (VC2) | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ... | | Authors: | Jih, J, Liu, Y.T, Liu, W, Zhou, H. | | Deposit date: | 2023-07-06 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM.
Sci Adv, 10, 2024
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8TET
 | | Human cytomegalovirus portal vertex, non-infectious enveloped particle (NIEP) configuration 1 (NC1) | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ... | | Authors: | Jih, J, Liu, Y.T, Liu, W, Zhou, H. | | Deposit date: | 2023-07-07 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.26 Å) | | Cite: | The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM.
Sci Adv, 10, 2024
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8TEW
 | | Human cytomegalovirus penton vertex, CVSC-bound configuration | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ... | | Authors: | Jih, J, Liu, Y.T, Liu, W, Zhou, H. | | Deposit date: | 2023-07-07 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM.
Sci Adv, 10, 2024
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8TEP
 | | Human cytomegalovirus portal vertex, virion configuration 1 (VC1) | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Inner tegument protein, ... | | Authors: | Jih, J, Liu, Y.T, Liu, W, Zhou, H. | | Deposit date: | 2023-07-06 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM.
Sci Adv, 10, 2024
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8TEU
 | | Human cytomegalovirus portal vertex, non-infectious enveloped particle (NIEP) configuration 2 - inverted (NC2-inv) | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ... | | Authors: | Jih, J, Liu, Y.T, Liu, W, Zhou, H. | | Deposit date: | 2023-07-07 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.01 Å) | | Cite: | The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM.
Sci Adv, 10, 2024
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2YFX
 | | Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR | | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A. | | Deposit date: | 2011-04-08 | | Release date: | 2011-05-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
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