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4TND
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BU of 4tnd by Molmil
Crystal Structure of G Protein-Coupled Receptor Kinase 5 in Complex with AMP-PNP
Descriptor: G protein-coupled receptor kinase 5, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Bhardwaj, A, Komolov, K.E, Benovic, J.L.
Deposit date:2014-06-04
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Atomic Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) Reveals Distinct Structural Features Novel for GRKs.
J.Biol.Chem., 2015
4TU8
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BU of 4tu8 by Molmil
STRUCTURE OF U2AF65 VARIANT WITH BRU5A6 DNA
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*UP*UP*UP*UP*(BRU)P*DA*U)-3'), ...
Authors:MCLAUGHLIN, K.J, JENKINS, J.L, Agrawal, A.A, KIELKOPF, C.L.
Deposit date:2014-06-24
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:Structure-guided U2AF65 variant improves recognition and splicing of a defective pre-mRNA.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RKB
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BU of 4rkb by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V66T/V99T at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2014-10-12
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Cavities in proteins
to be published
4TNB
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Crystal Structure of G Protein-Coupled Receptor Kinase 5 in Complex with Sangivamycin
Descriptor: G protein-coupled receptor kinase 5, SANGIVAMYCIN
Authors:Bhardwaj, A, Komolov, K.E, Benovic, J.L.
Deposit date:2014-06-03
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Atomic Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) Reveals Distinct Structural Features Novel for GRKs.
J.Biol.Chem., 2015
4TU7
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BU of 4tu7 by Molmil
Structure of U2AF65 D231V variant with BrU5 DNA
Descriptor: 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*UP*UP*UP*UP*(BRU)P*UP*U)-3'), GLYCEROL, ...
Authors:Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2014-06-24
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.087 Å)
Cite:Structure-guided U2AF65 variant improves recognition and splicing of a defective pre-mRNA.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TMU
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BU of 4tmu by Molmil
Crystal structure of RecQ catalytic core from C. sakazakii bound to DNA
Descriptor: DNA (29-MER), RecQ, ZINC ION
Authors:Manthei, K.A, Keck, J.L.
Deposit date:2014-06-02
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural mechanisms of DNA binding and unwinding in bacterial RecQ helicases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4U2B
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BU of 4u2b by Molmil
Crystal structure of dienelactone hydrolase (C123S) at 1.70 A resolution
Descriptor: Carboxymethylenebutenolidase, SULFATE ION
Authors:Porter, J.L, Collyer, C.A, Ollis, D.L.
Deposit date:2014-07-16
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U2E
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BU of 4u2e by Molmil
Crystal structure of dienelactone hydrolase S-3 variant (Q35H, F38L, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G, G211D and K234N) at 1.70 A resolution
Descriptor: Carboxymethylenebutenolidase, SULFATE ION
Authors:Porter, J.L, Collyer, C.A, Ollis, D.L.
Deposit date:2014-07-16
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U2F
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BU of 4u2f by Molmil
Crystal structure of dienelactone hydrolase B-1 variant (Q35H, F38L, Y64H, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G and G211D) at 1.80 A resolution
Descriptor: Carboxymethylenebutenolidase, SULFATE ION
Authors:Porter, J.L, Collyer, C.A, Ollis, D.L.
Deposit date:2014-07-16
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U9M
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BU of 4u9m by Molmil
Structure of the DNA duplex d(ATTAAT)2 with Hoogsteen hydrogen bonds
Descriptor: DNA (5'-D(*AP*TP*TP*AP*AP*T)-3')
Authors:Acosta-Reyes, F.J, Alechaga, E, Subirana, J.A, Campos, J.L.
Deposit date:2014-08-06
Release date:2015-04-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Structure of the DNA Duplex d(ATTAAT)2 with Hoogsteen Hydrogen Bonds.
Plos One, 10, 2015
4U2D
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BU of 4u2d by Molmil
Crystal structure of dienelactone hydrolase S-2 variant (Q35H, F38L, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G and G211D) at 1.67 A resolution
Descriptor: Carboxymethylenebutenolidase, SULFATE ION
Authors:Porter, J.L, Collyer, C.A, Ollis, D.L.
Deposit date:2014-07-16
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U2G
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BU of 4u2g by Molmil
Crystal structure of dienelactone hydrolase B-4 variant (Q35H, F38L, Y64H, Q76L, Q110L, C123S, Y137C, A141V, Y145C, N154D, E199G, S208G, G211D, S233G and 237Q) at 1.80 A resolution
Descriptor: Carboxymethylenebutenolidase, SULFATE ION
Authors:Porter, J.L, Collyer, C.A, Ollis, D.L.
Deposit date:2014-07-16
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U2C
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BU of 4u2c by Molmil
Crystal structure of dienelactone hydrolase A-6 variant (S7T, A24V, Q35H, F38L, Q110L, C123S, Y145C, E199G and S208G) at 1.95 A resolution
Descriptor: Carboxymethylenebutenolidase, SULFATE ION
Authors:Porter, J.L, Collyer, C.A, Ollis, D.L.
Deposit date:2014-07-16
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U6S
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BU of 4u6s by Molmil
CtBP1 in complex with substrate phenylpyruvate
Descriptor: 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ...
Authors:Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E.
Deposit date:2014-07-29
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
4U6Q
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BU of 4u6q by Molmil
CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid
Descriptor: (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ...
Authors:Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E.
Deposit date:2014-07-29
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
4UIF
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BU of 4uif by Molmil
Cryo-EM structure of Dengue virus serotype 2 in complex with antigen-binding fragments of human antibody 2D22
Descriptor: ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - LIGHT CHAIN, DENGUE VIRUS SEROTYPE 2 STRAIN PVP94 07 - ENVELOPE PROTEIN, ...
Authors:Fibriansah, G, Ibarra, K.D, Ng, T.-S, Smith, S.A, Tan, J.L, Lim, X.-N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe Junior, J.E, Lok, S.-M.
Deposit date:2015-03-30
Release date:2015-07-15
Last modified:2018-02-07
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers.
Science, 349, 2015
4UIH
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BU of 4uih by Molmil
Cryo-EM structure of Dengue virus serotype 2 strain New Guinea-C complexed with human antibody 2D22 Fab at 37 degree C. The Fab molecules were added to the virus before 37 degree C incubation.
Descriptor: ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 -HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 -LIGHT CHAIN, DENGUE VIRUS SEROTYPE 2 STRAIN NEW GUINEA-C E PROTEIN ECTODOMAIN
Authors:Fibriansah, G, Ibarra, K.D, Ng, T.-S, Smith, S.A, Tan, J.L, Lim, X.N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe, J.E, Lok, S.-M.
Deposit date:2015-03-30
Release date:2015-07-15
Last modified:2018-02-07
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers.
Science, 349, 2015
4UTF
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BU of 4utf by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-isofagomine and alpha- 1,2-mannobiose
Descriptor: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, ...
Authors:Cuskin, F, Lowe, E.C, Temple, M.J, Zhu, Y, Pudlo, N.A, Cameron, E.A, Urs, K, Thompson, A.J, Cartmell, A, Rogowski, A, Tolbert, T, Piens, K, Bracke, D, Vervecken, W, Hakki, Z, Speciale, G, Munoz-Munoz, J.L, Pena, M.J, McLean, R, Suits, M.D, Boraston, A.B, Atherly, T, Ziemer, C.J, Williams, S.J, Davies, G.J, Abbott, D.W, Martens, E.C, Gilbert, H.J.
Deposit date:2014-07-21
Release date:2014-12-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
3DRT
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BU of 3drt by Molmil
Crystal structure of the HIV-1 broadly neutralizing antibody 2F5 in complex with the gp41 scrambledFP-MPER scrHyb3K construct GIGAFGLLGFLAAGSKK-Ahx-K656NEQELLELDKWASLWN671
Descriptor: 2F5 Fab' heavy chain, 2F5 Fab' light chain, GLYCEROL, ...
Authors:Julien, J.-P, Bryson, S, de la Torre, B.G, Andreu, D, Nieva, J.L, Pai, E.F.
Deposit date:2008-07-11
Release date:2009-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural constraints imposed by the conserved fusion peptide on the HIV-1 gp41 epitope recognized by the broadly neutralizing antibody 2F5.
J.Phys.Chem.B, 113, 2009
3EGS
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BU of 3egs by Molmil
Crystal structure of the HIV-1 broadly neutralizing antibody 2F5 in complex with the gp41 scrambledFP-MPER scrHyb3K construct GIGAFGLLGFLAAGSKK-Ahx-K656NEQELLELDKWASLWN671 soaked in ammonium sulfate
Descriptor: 2F5 Fab' heavy chain, 2F5 Fab' light chain, gp41 scrFP-MPER construct
Authors:Julien, J.-P, Bryson, S, de la Torre, B.G, Andreu, D, Nieva, J.L, Pai, E.F.
Deposit date:2008-09-11
Release date:2009-08-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural constraints imposed by the conserved fusion peptide on the HIV-1 gp41 epitope recognized by the broadly neutralizing antibody 2F5.
J.Phys.Chem.B, 113, 2009
5X08
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BU of 5x08 by Molmil
Crystal structure of broadly neutralizing anti-HIV-1 antibody 4E10, mutant Npro, with peptide bound
Descriptor: ACETATE ION, CHLORIDE ION, Envelope glycoprotein gp160, ...
Authors:Caaveiro, J.M.M, Rujas, E, Nieva, J.L, Tsumoto, K.
Deposit date:2017-01-20
Release date:2017-04-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Functional Contacts between MPER and the Anti-HIV-1 Broadly Neutralizing Antibody 4E10 Extend into the Core of the Membrane
J. Mol. Biol., 429, 2017
7B2W
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BU of 7b2w by Molmil
Torpedo californica acetylcholinesterase complexed with UO2
Descriptor: Acetylcholinesterase, URANYL (VI) ION
Authors:Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L, Weiner, L.
Deposit date:2020-11-28
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif.
Protein Sci., 30, 2021
5ZAP
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BU of 5zap by Molmil
Atomic structure of the herpes simplex virus type 2 B-capsid
Descriptor: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
Authors:Yuan, S, Wang, J.L, Zhu, D.J, Wang, N, Gao, Q, Chen, W.Y, Tang, H, Wang, J.Z, Zhang, X.Z, Liu, H.R, Rao, Z.H, Wang, X.X.
Deposit date:2018-02-08
Release date:2018-04-18
Last modified:2018-09-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of a herpesvirus capsid at 3.1 angstrom.
Science, 360, 2018
1L7X
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BU of 1l7x by Molmil
Human liver glycogen phosphorylase b complexed with caffeine, N-acetyl-beta-D-glucopyranosylamine, and CP-403,700
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CAFFEINE, Glycogen phosphorylase, ...
Authors:Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L.
Deposit date:2002-03-18
Release date:2002-12-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-activity analysis of the purine binding site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002
1L5R
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BU of 1l5r by Molmil
Human liver glycogen phosphorylase a complexed with riboflavin, N-Acetyl-beta-D-Glucopyranosylamine and CP-403,700
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L.
Deposit date:2002-03-07
Release date:2002-12-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-activity analysis of the purine binding site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002

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