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2FNT
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BU of 2fnt by Molmil
Crystal structure of a drug-resistant (V82A) inactive (D25N) HIV-1 protease complexed with AP2V variant of HIV-1 NC-p1 substrate.
Descriptor: ACETATE ION, NC-p1 substrate PEPTIDE, PHOSPHATE ION, ...
Authors:Prabu-Jeyabaln, M, Nalivaika, E.A, Schiffer, C.A.
Deposit date:2006-01-11
Release date:2006-09-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Mechanism of substrate recognition by drug-resistant human immunodeficiency virus type 1 protease variants revealed by a novel structural intermediate.
J.Virol., 80, 2006
5IY2
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BU of 5iy2 by Molmil
Structure of apo OXA-143 carbapenemase
Descriptor: Beta-lactamase OXA-143, GLYCEROL
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2016-03-23
Release date:2017-08-09
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:The role of conserved surface hydrophobic residues in the carbapenemase activity of the class D beta-lactamases.
Acta Crystallogr D Struct Biol, 73, 2017
5J7N
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BU of 5j7n by Molmil
Crystal structure of a small heat-shock protein from Xylella fastidiosa reveals a distinct high order structure
Descriptor: Low molecular weight heat shock protein
Authors:Fonseca, E.M.B, Scorsato, V, dos Santos, C.A, Tomazini Jr, A, Aparicio, R, Polikarpov, I.
Deposit date:2016-04-06
Release date:2017-04-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a small heat-shock protein from Xylella fastidiosa reveals a distinct high-order structure.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5JCO
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BU of 5jco by Molmil
Structure and dynamics of single-isoform recombinant neuronal human tubulin
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Vemu, A, Atherton, J, Spector, J.O, Szyk, A, Moores, C.A, Roll-Mecak, A.
Deposit date:2016-04-15
Release date:2016-05-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure and Dynamics of Single-isoform Recombinant Neuronal Human Tubulin.
J.Biol.Chem., 291, 2016
5J8D
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BU of 5j8d by Molmil
Structure of nitroreductase from E. cloacae complexed with nicotinic acid adenine dinucleotide
Descriptor: FLAVIN MONONUCLEOTIDE, NICOTINIC ACID ADENINE DINUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase
Authors:Haynes, C.A, Koder, R.L, Miller, A.F, Rodgers, D.W.
Deposit date:2016-04-07
Release date:2017-05-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode for Catalytically Competent Nitroreductase.
Structure, 25, 2017
5JFL
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BU of 5jfl by Molmil
Crystal structure of Rhodopseudomonas palustris propionaldehyde dehydrogenase with bound NAD+
Descriptor: Aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Zarzycki, J, Sutter, M, Kerfeld, C.A.
Deposit date:2016-04-19
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In Vitro Characterization and Concerted Function of Three Core Enzymes of a Glycyl Radical Enzyme - Associated Bacterial Microcompartment.
Sci Rep, 7, 2017
5J8G
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BU of 5j8g by Molmil
Structure of nitroreductase from E. cloacae complexed with para-nitrobenzoic acid
Descriptor: 4-NITROBENZOIC ACID, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase
Authors:Haynes, C.A, Koder, R.L, Miller, A.-F, Rodgers, D.W.
Deposit date:2016-04-07
Release date:2017-05-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode for Catalytically Competent Nitroreductase.
Structure, 25, 2017
5JH5
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BU of 5jh5 by Molmil
Structural Basis for the Hierarchical Assembly of the Core of PRC1.1
Descriptor: BCL-6 corepressor-like protein 1, Lysine-specific demethylase 2B, Polycomb group RING finger protein 1, ...
Authors:Wong, S.J, Taylor, A.B, Hart, P.J, Kim, C.A.
Deposit date:2016-04-20
Release date:2016-09-14
Last modified:2016-10-19
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:KDM2B Recruitment of the Polycomb Group Complex, PRC1.1, Requires Cooperation between PCGF1 and BCORL1.
Structure, 24, 2016
5JFM
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BU of 5jfm by Molmil
Crystal structure of Rhodopseudomonas palustris propionaldehyde dehydrogenase with bound propionyl-CoA
Descriptor: Aldehyde dehydrogenase, COENZYME A, propionyl Coenzyme A
Authors:Zarzycki, J, Sutter, M, Kerfeld, C.A.
Deposit date:2016-04-19
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.516 Å)
Cite:In Vitro Characterization and Concerted Function of Three Core Enzymes of a Glycyl Radical Enzyme - Associated Bacterial Microcompartment.
Sci Rep, 7, 2017
6JXD
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BU of 6jxd by Molmil
Human nucleosome core particle with cohesive end DNA termini
Descriptor: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:DeFalco, L, Davey, C.A.
Deposit date:2019-04-23
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
5JFN
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BU of 5jfn by Molmil
Crystal structure of Rhodopseudomonas palustris propionaldehyde dehydrogenase with bound CoA and acylated Cys330
Descriptor: Aldehyde dehydrogenase, COENZYME A, PENTAETHYLENE GLYCOL, ...
Authors:Zarzycki, J, Sutter, M, Kerfeld, C.A.
Deposit date:2016-04-19
Release date:2017-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:In Vitro Characterization and Concerted Function of Three Core Enzymes of a Glycyl Radical Enzyme - Associated Bacterial Microcompartment.
Sci Rep, 7, 2017
5JQD
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BU of 5jqd by Molmil
Antibody Fab Fragment
Descriptor: D80 Fab Fragment Heavy Chain, D80 Fab Fragment Light Chain
Authors:Zhang, Z, Prachanronarong, K, Gellatly, K, Marasco, W.A, Schiffer, C.A.
Deposit date:2016-05-04
Release date:2017-11-08
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.591 Å)
Cite:Structural Basis of an Influenza Hemagglutinin Stem-Directed Antibody Retaining the G6 Idiotype
To Be Published
5JTE
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BU of 5jte by Molmil
Cryo-EM structure of an ErmBL-stalled ribosome in complex with A-, P-, and E-tRNA
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Arenz, S, Bock, L.V, Graf, M, Innis, C.A, Beckmann, R, Grubmueller, H, Vaiana, A.C, Wilson, D.N.
Deposit date:2016-05-09
Release date:2016-07-20
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest.
Nat Commun, 7, 2016
6K1I
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BU of 6k1i by Molmil
Human nucleosome core particle with gammaH2A.X variant
Descriptor: CHLORIDE ION, DNA (147-MER), Histone H2AX, ...
Authors:Sharma, D, De Falco, L, Davey, C.A.
Deposit date:2019-05-10
Release date:2020-01-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
5JU8
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BU of 5ju8 by Molmil
Cryo-EM structure of an ErmBL-stalled ribosome in complex with P-, and E-tRNA
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Arenz, S, Bock, L.V, Graf, M, Innis, C.A, Beckmann, R, Grubmueller, H, Vaiana, A.C, Wilson, D.N.
Deposit date:2016-05-10
Release date:2016-07-20
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest.
Nat Commun, 7, 2016
5JX4
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BU of 5jx4 by Molmil
Crystal structure of E36-G37del mutant of the Bacillus caldolyticus cold shock protein.
Descriptor: Cold shock protein CspB, SULFATE ION
Authors:Carvajal, A, Castro-Fernandez, V, Cabrejos, D, Fuentealba, M, Pereira, H.M, Vallejos, G, Cabrera, R, Garratt, R.C, Komives, E.A, Ramirez-Sarmiento, C.A, Babul, J.
Deposit date:2016-05-12
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Unusual dimerization of a BcCsp mutant leads to reduced conformational dynamics.
FEBS J., 284, 2017
6K1K
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BU of 6k1k by Molmil
Human nucleosome core particle with H2A.X S139E variant
Descriptor: CHLORIDE ION, DNA (145-MER), Histone H2AX, ...
Authors:Sharma, D, De Falco, L, Davey, C.A.
Deposit date:2019-05-10
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
5KEG
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BU of 5keg by Molmil
Crystal structure of APOBEC3A in complex with a single-stranded DNA
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*TP*TP*CP*TP*T)-3'), ...
Authors:Kouno, T, Hilbert, B.J, Silvas, T, Royer, W.E, Matsuo, H, Schiffer, C.A.
Deposit date:2016-06-09
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity.
Nat Commun, 8, 2017
5KEM
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BU of 5kem by Molmil
EBOV sGP in complex with variable Fab domains of IgGs c13C6 and BDBV91
Descriptor: BDBV91 variable Fab domain heavy chain, BDBV91 variable Fab domain light chain, Ebola secreted glycoprotein, ...
Authors:Pallesen, J, Murin, C.D, de Val, N, Cottrell, C.A, Hastie, K.M, Turner, H.L, Fusco, M.L, Flyak, A.I, Zeitlin, L, Crowe Jr, J.E, Andersen, K.G, Saphire, E.O, Ward, A.B.
Deposit date:2016-06-09
Release date:2016-09-07
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Structures of Ebola virus GP and sGP in complex with therapeutic antibodies.
Nat Microbiol, 1, 2016
6K1J
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BU of 6k1j by Molmil
Human nucleosome core particle with H2A.X variant
Descriptor: CHLORIDE ION, DNA (145-MER), Histone H2AX, ...
Authors:Sharma, D, De Falco, L, Davey, C.A.
Deposit date:2019-05-10
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
5K47
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BU of 5k47 by Molmil
CryoEM structure of the human Polycystin-2/PKD2 TRP channel
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystin-2
Authors:Pike, A.C.W, Grieben, M, Shintre, C.A, Tessitore, A, Shrestha, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2016-05-20
Release date:2016-08-24
Last modified:2020-10-21
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of the polycystic kidney disease TRP channel Polycystin-2 (PC2).
Nat. Struct. Mol. Biol., 24, 2017
5JX2
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BU of 5jx2 by Molmil
Crystal structure of MglB-2 (Tp0684) from Treponema pallidum
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Brautigam, C.A, Deka, R.K, Norgard, M.V.
Deposit date:2016-05-12
Release date:2016-08-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.0504 Å)
Cite:The Tp0684 (MglB-2) Lipoprotein of Treponema pallidum: A Glucose-Binding Protein with Divergent Topology.
Plos One, 11, 2016
5KAF
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BU of 5kaf by Molmil
RT XFEL structure of Photosystem II in the dark state at 3.0 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2016-06-01
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.00001 Å)
Cite:Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
5KEL
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BU of 5kel by Molmil
EBOV GP in complex with variable Fab domains of IgGs c2G4 and c13C6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ebola surface glycoprotein, ...
Authors:Pallesen, J, Murin, C.D, de Val, N, Cottrell, C.A, Hastie, K.M, Turner, H.L, Fusco, M.L, Flyak, A.I, Zeitlin, L, Crowe Jr, J.E, Andersen, K.G, Saphire, E.O, Ward, A.B.
Deposit date:2016-06-09
Release date:2016-09-07
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structures of Ebola virus GP and sGP in complex with therapeutic antibodies.
Nat Microbiol, 1, 2016
5KBZ
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BU of 5kbz by Molmil
Structure of the PksA Product Template domain in complex with a phosphopantetheine mimetic
Descriptor: (14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate, Noranthrone synthase
Authors:Tsai, S.C, Burkart, M.D, Townsend, C.A, Barajas, J.F, Shakya, G, Topper, C.L, Moreno, G, Jackson, D.R, Rivera, H, La Clair, J.J, Vagstad, A.
Deposit date:2016-06-03
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Polyketide mimetics yield structural and mechanistic insights into product template domain function in nonreducing polyketide synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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