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5K6K
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BU of 5k6k by Molmil
Zika virus non-structural protein 1 (NS1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
Authors:Akey, D.L, Brown, W.C, Smith, J.L.
Deposit date:2016-05-24
Release date:2016-07-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Extended surface for membrane association in Zika virus NS1 structure.
Nat.Struct.Mol.Biol., 23, 2016
5W3V
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BU of 5w3v by Molmil
Crystal Structure of macaque APOBEC3H in complex with RNA
Descriptor: Apobec3H, RNA (5'-R(P*AP*AP*CP*CP*CP*CP*GP*GP*GP*C)-3'), RNA (5'-R(P*AP*AP*CP*CP*CP*GP*GP*GP*GP*A)-3'), ...
Authors:Bohn, J.A, Thummar, K, York, A, Raymond, A, Brown, W.C, Bieniasz, P.D, Hatziioannou, T, Smith, J.L.
Deposit date:2017-06-08
Release date:2017-10-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:APOBEC3H structure reveals an unusual mechanism of interaction with duplex RNA.
Nat Commun, 8, 2017
6D7A
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BU of 6d7a by Molmil
Structure of T. gondii PLP1 beta-rich domain
Descriptor: Perforin-like protein 1, SODIUM ION
Authors:Guerra, A.J, Koropatkin, N.M, Wawrzak, Z, Bahr, C.M.E, Carruthers, V.B.
Deposit date:2018-04-24
Release date:2018-05-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structural basis of Toxoplasma gondii perforin-like protein 1 membrane interaction and activity during egress.
PLoS Pathog., 14, 2018
4TPL
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BU of 4tpl by Molmil
West Nile Virus Non-structural protein 1 (NS1) Form 1 crystal
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, OXTOXYNOL-10, ...
Authors:Akey, D.L, Smith, J.L.
Deposit date:2014-06-08
Release date:2014-10-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Use of massively multiple merged data for low-resolution S-SAD phasing and refinement of flavivirus NS1.
Acta Crystallogr.,Sect.D, 70, 2014
4WXY
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BU of 4wxy by Molmil
PLPS (inactive glutaminase mutant) co-crystallized with glutamine and R5P.
Descriptor: Glutamine amidotransferase subunit PdxT, Pyridoxal biosynthesis lyase PdxS
Authors:Smith, J.L, Smith, A.M.
Deposit date:2014-11-14
Release date:2015-01-14
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures capture three states in the catalytic cycle of a pyridoxal phosphate (PLP) synthase.
J.Biol.Chem., 290, 2015
4WY0
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BU of 4wy0 by Molmil
PdxS (G. stearothermophilus) co-crystallized with R5P in the presence of ammonia.
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, PHOSPHATE ION, ...
Authors:Smith, J.L, Smith, A.M.
Deposit date:2014-11-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures capture three states in the catalytic cycle of a pyridoxal phosphate (PLP) synthase.
J.Biol.Chem., 290, 2015
4WXZ
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BU of 4wxz by Molmil
PdxS (G. stearothermophilus) co-crystallized with R5P
Descriptor: Pyridoxal biosynthesis lyase PdxS
Authors:Smith, J.L, Smith, A.M.
Deposit date:2014-11-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures capture three states in the catalytic cycle of a pyridoxal phosphate (PLP) synthase.
J.Biol.Chem., 290, 2015
7K93
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BU of 7k93 by Molmil
DENV2 NS1 in complex with neutralizing 2B7 single chain Fab variable region (scFv)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 single chain fab variable region, Non-structural protein 1
Authors:Akey, D.L, Smith, J.L.
Deposit date:2020-09-28
Release date:2020-12-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
3U1T
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BU of 3u1t by Molmil
Haloalkane Dehalogenase, DmmA, of marine microbial origin
Descriptor: CHLORIDE ION, DmmA Haloalkane Dehalogenase, MALONATE ION
Authors:Gehret, J.J, Smith, J.L.
Deposit date:2011-09-30
Release date:2011-12-28
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and activity of DmmA, a marine haloalkane dehalogenase.
Protein Sci., 21, 2012
6WER
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BU of 6wer by Molmil
DENV2 NS1 in complex with neutralizing 2B7 Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 Fab heavy chain, 2B7 Fab light chain, ...
Authors:Akey, D.L, Smith, J.L.
Deposit date:2020-04-02
Release date:2020-12-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.96 Å)
Cite:Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
6WEQ
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BU of 6weq by Molmil
DENV1 NS1 in complex with neutralizing 2B7 Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 Fab fragment heavy chain, 2B7 Fab fragment light chain, ...
Authors:Akey, D.L, Smith, J.L.
Deposit date:2020-04-02
Release date:2020-12-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
6MCF
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BU of 6mcf by Molmil
Solution structure of 7SK stem-loop 1 with HIV-1 Tat RNA Binding Domain
Descriptor: 7SK Stem-loop 1 RNA, Protein Tat
Authors:Pham, V.V, D'Souza, V.M.
Deposit date:2018-08-31
Release date:2018-10-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:HIV-1 Tat interactions with cellular 7SK and viral TAR RNAs identifies dual structural mimicry.
Nat Commun, 9, 2018
6MCE
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BU of 6mce by Molmil
Solution structure of HIV-1 TAR with Tat RNA Binding Domain
Descriptor: Protein Tat, TAR RNA
Authors:Pham, V.V, D'Souza, V.M.
Deposit date:2018-08-31
Release date:2018-10-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:HIV-1 Tat interactions with cellular 7SK and viral TAR RNAs identifies dual structural mimicry.
Nat Commun, 9, 2018
6MCI
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BU of 6mci by Molmil
Solution structure of 7SK stem-loop 1
Descriptor: 7SK RNA
Authors:Pham, V.V, D'Souza, V.M.
Deposit date:2018-08-31
Release date:2018-10-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:HIV-1 Tat interactions with cellular 7SK and viral TAR RNAs identifies dual structural mimicry.
Nat Commun, 9, 2018
6NKH
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BU of 6nkh by Molmil
Structure of MalC Reductase/Diels-Alderase from Malbranchea aurantiaca
Descriptor: Short chain dehydrogenase
Authors:Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NKK
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BU of 6nkk by Molmil
Structure of PhqE Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and premalbrancheamide
Descriptor: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
Authors:Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NKI
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BU of 6nki by Molmil
Structure of PhqB Reductase Domain from Penicillium fellutanum
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NRPS
Authors:Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NKM
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BU of 6nkm by Molmil
Structure of PhqE D166N Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and substrate
Descriptor: 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
Authors:Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
5TCA
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BU of 5tca by Molmil
Complement Factor D inhibited with JH3
Descriptor: 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, Complement factor D
Authors:Stuckey, J.A.
Deposit date:2016-09-14
Release date:2016-10-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors.
ACS Med Chem Lett, 7, 2016
5TCC
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BU of 5tcc by Molmil
Complement Factor D inhibited with JH4
Descriptor: (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide, Complement factor D
Authors:Stuckey, J.A.
Deposit date:2016-09-14
Release date:2016-10-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors.
ACS Med Chem Lett, 7, 2016
4MZ0
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BU of 4mz0 by Molmil
Structure of a ketosynthase-acyltransferase di-domain from module CurL of the curacin A polyketide synthase
Descriptor: CALCIUM ION, CurL
Authors:Whicher, J.R, Smaga, S.S, Smith, J.L.
Deposit date:2013-09-28
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013
4O6D
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BU of 4o6d by Molmil
West Nile Virus Non-structural protein 1 (NS1) Form 1 crystal
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NS1, ...
Authors:Akey, D.L, Smith, J.L.
Deposit date:2013-12-20
Release date:2014-02-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5936 Å)
Cite:Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.
Science, 343, 2014
4O6B
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BU of 4o6b by Molmil
Dengue Type2 Virus Non-structural protein 1 (NS1) Form 1 crystal
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Non-structural protein 1
Authors:Akey, D.L, Smith, J.L.
Deposit date:2013-12-20
Release date:2014-02-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.0005 Å)
Cite:Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.
Science, 343, 2014
4O6C
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BU of 4o6c by Molmil
West Nile Virus Non-structural protein 1 (NS1) Form 2 crystal
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NS1, SULFATE ION
Authors:Akey, D.L, Smith, J.L.
Deposit date:2013-12-20
Release date:2014-02-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7508 Å)
Cite:Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.
Science, 343, 2014
4MYZ
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BU of 4myz by Molmil
Structure of a class 2 docking domain complex from modules CurK and CurL of the curacin A polyketide synthase
Descriptor: CurK, CurL fusion protein
Authors:Whicher, J.R, Smaga, S.S, Smith, J.L.
Deposit date:2013-09-28
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013

 

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