4HQH
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4CDQ
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![BU of 4cdq by Molmil](/molmil-images/mine/4cdq) | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP2 | Descriptor: | 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime, SODIUM ION, VP1, ... | Authors: | DeColibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-05 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules Nat.Struct.Mol.Biol., 21, 2014
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4CAU
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![BU of 4cau by Molmil](/molmil-images/mine/4cau) | THREE-DIMENSIONAL STRUCTURE OF DENGUE VIRUS SEROTYPE 1 COMPLEXED WITH 2 HMAB 14C10 FAB | Descriptor: | ENVELOPE PROTEIN E, FAB 14C10 | Authors: | Teoh, E.P, Kukkaro, P, Teo, E.W, Lim, A.P, Tan, T.T, Yip, A, Schul, W, Aung, M, Kostyuchenko, V.A, Leo, Y.S, Chan, S.H, Smith, K.G, Chan, A.H, Zou, G, Ooi, E.E, Kemeny, D.M, Tan, G.K, Ng, J.K, Ng, M.L, Alonso, S, Fisher, D, Shi, P.Y, Hanson, B.J, Lok, S.M, Macary, P.A. | Deposit date: | 2013-10-09 | Release date: | 2013-10-16 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | The Structural Basis for Serotype-Specific Neutralization of Dengue Virus by a Human Antibody. Sci.Trans.Med, 4, 2012
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4CEW
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![BU of 4cew by Molmil](/molmil-images/mine/4cew) | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor ALD | Descriptor: | 4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide, VP1, VP2, ... | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-12 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules. Nat.Struct.Mol.Biol., 21, 2014
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4BSV
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![BU of 4bsv by Molmil](/molmil-images/mine/4bsv) | Heterodimeric Fc Antibody Azymetric Variant 1 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, HETERODIMERIC FC ANTIBODY AZYMETRIC VARIANT 2, ... | Authors: | Suits, M.D.L, Spreter, T, Cabrera, E.E, Dixit, S.B, Lario, P.I, Poon, D.K.Y, D'Angelo, I.E.P, Boulanger, M.J. | Deposit date: | 2013-06-11 | Release date: | 2013-08-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Improving Biophysical Properties of a Bispecific Antibody Scaffold to Aid Developability: Quality by Molecular Design. Mabs, 5, 2013
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1XVP
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![BU of 1xvp by Molmil](/molmil-images/mine/1xvp) | crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid and CITCO | Descriptor: | 6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ... | Authors: | Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T. | Deposit date: | 2004-10-28 | Release date: | 2004-12-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer. Mol.Cell, 16, 2004
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1XPN
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![BU of 1xpn by Molmil](/molmil-images/mine/1xpn) | NMR structure of P. aeruginosa protein PA1324: Northeast Structural Genomics Consortium target PaP1 | Descriptor: | hypothetical protein PA1324 | Authors: | Cort, J.R, Ni, S, Lockert, E.E, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-10-08 | Release date: | 2004-11-23 | Last modified: | 2024-03-06 | Method: | SOLUTION NMR | Cite: | Structure and function of Pseudomonas aeruginosa protein PA1324 (21-170). Protein Sci., 18, 2009
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4I8V
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4IRG
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![BU of 4irg by Molmil](/molmil-images/mine/4irg) | Uninhibited DNA-binding domain of the Ets transcription factor ERG | Descriptor: | Transcriptional regulator ERG | Authors: | Regan, M.C, Horanyi, P.S, Pryor, E.E, Sarver, J.L, Cafiso, D.S, Bushweller, J.H. | Deposit date: | 2013-01-14 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and dynamic studies of the transcription factor ERG reveal DNA binding is allosterically autoinhibited. Proc.Natl.Acad.Sci.USA, 110, 2013
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4IRH
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![BU of 4irh by Molmil](/molmil-images/mine/4irh) | Auto-inhibited ERG Ets domain | Descriptor: | Transcriptional regulator ERG | Authors: | Regan, M.C, Horanyi, P.S, Pryor, E.E, Sarver, J.L, Cafiso, D.S, Bushweller, J.H. | Deposit date: | 2013-01-14 | Release date: | 2013-07-31 | Last modified: | 2013-08-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and dynamic studies of the transcription factor ERG reveal DNA binding is allosterically autoinhibited. Proc.Natl.Acad.Sci.USA, 110, 2013
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4IRI
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![BU of 4iri by Molmil](/molmil-images/mine/4iri) | Auto-inhibited ERG Ets Domain-DNA Complex | Descriptor: | DNA (5'-D(*CP*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP*G)-3'), Transcriptional regulator ERG | Authors: | Regan, M.C, Horanyi, P.S, Pryor, E.E, Sarver, J.L, Cafiso, D.S, Bushweller, J.H. | Deposit date: | 2013-01-14 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural and dynamic studies of the transcription factor ERG reveal DNA binding is allosterically autoinhibited. Proc.Natl.Acad.Sci.USA, 110, 2013
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4IV1
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![BU of 4iv1 by Molmil](/molmil-images/mine/4iv1) | Crystal structure of recombinant foot-and-mouth-disease virus A22 empty capsid | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Porta, C, Kotecha, A, Burman, A, Jackson, T, Ren, J, Loureiro, S, Jones, I.M, Fry, E.E, Stuart, D.I, Charleston, B. | Deposit date: | 2013-01-22 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rational engineering of recombinant picornavirus capsids to produce safe, protective vaccine antigen. Plos Pathog., 9, 2013
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4IV3
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![BU of 4iv3 by Molmil](/molmil-images/mine/4iv3) | Crystal structure of recombinant foot-and-mouth-disease virus A22-H2093C empty capsid | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Porta, C, Kotecha, A, Burman, A, Jackson, T, Ren, J, Loureiro, S, Jones, I.M, Fry, E.E, Stuart, D.I, Charleston, B. | Deposit date: | 2013-01-22 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Rational engineering of recombinant picornavirus capsids to produce safe, protective vaccine antigen. Plos Pathog., 9, 2013
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3T3R
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![BU of 3t3r by Molmil](/molmil-images/mine/3t3r) | Human Cytochrome P450 2A6 in complex with Pilocarpine | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | Authors: | DeVore, N.M, Scott, E.E. | Deposit date: | 2011-07-25 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. Febs J., 279, 2012
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4MQ4
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![BU of 4mq4 by Molmil](/molmil-images/mine/4mq4) | Crystal Structure of hPNMT in Complex with bisubstrate inhibitor N-(3-((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)propyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-S-(3-{[(3R)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine, Phenylethanolamine N-methyltransferase | Authors: | Bart, A.G, Scott, E.E. | Deposit date: | 2013-09-15 | Release date: | 2014-10-15 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.2042 Å) | Cite: | To be Published To be Published
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3T3Q
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![BU of 3t3q by Molmil](/molmil-images/mine/3t3q) | Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Pilocarpine | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | Authors: | DeVore, N.M, Scott, E.E. | Deposit date: | 2011-07-25 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. Febs J., 279, 2012
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4NKX
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4KDL
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![BU of 4kdl by Molmil](/molmil-images/mine/4kdl) | Crystal structure of p97/VCP N in complex with OTU1 UBXL | Descriptor: | Transitional endoplasmic reticulum ATPase, Ubiquitin thioesterase OTU1 | Authors: | Kim, S.J, Kim, E.E. | Deposit date: | 2013-04-25 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural Basis for Ovarian Tumor Domain-containing Protein 1 (OTU1) Binding to p97/Valosin-containing Protein (VCP). J.Biol.Chem., 289, 2014
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4NKY
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4NKW
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4NKZ
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![BU of 4nkz by Molmil](/molmil-images/mine/4nkz) | Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17alpha-hydroxypregnenolone | Descriptor: | (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Scott, E.E, Petrunak, E.M. | Deposit date: | 2013-11-13 | Release date: | 2014-10-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates. J.Biol.Chem., 289, 2014
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3T3S
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![BU of 3t3s by Molmil](/molmil-images/mine/3t3s) | Human Cytochrome P450 2A13 in complex with Pilocarpine | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A13, PROTOPORPHYRIN IX CONTAINING FE | Authors: | DeVore, N.M, Scott, E.E. | Deposit date: | 2011-07-25 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. Febs J., 279, 2012
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4KDI
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![BU of 4kdi by Molmil](/molmil-images/mine/4kdi) | Crystal structure of p97/VCP N in complex with OTU1 UBXL | Descriptor: | Transitional endoplasmic reticulum ATPase, Ubiquitin thioesterase OTU1 | Authors: | Kim, S.J, Kim, E.E. | Deposit date: | 2013-04-25 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural Basis for Ovarian Tumor Domain-containing Protein 1 (OTU1) Binding to p97/Valosin-containing Protein (VCP). J.Biol.Chem., 289, 2014
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3SJ5
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![BU of 3sj5 by Molmil](/molmil-images/mine/3sj5) | I5F Mutant Structure of T. Tengcongensis H-NOX | Descriptor: | Methyl-accepting chemotaxis protein, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Weinert, E.E, Phillips-Piro, C.M, Tran, R, Mathies, R.A, Marletta, M.A. | Deposit date: | 2011-06-20 | Release date: | 2011-07-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.673 Å) | Cite: | Controlling Conformational Flexibility of an O2-Binding H-NOX Domain. Biochemistry, 50, 2011
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4PCJ
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![BU of 4pcj by Molmil](/molmil-images/mine/4pcj) | |