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1WV5
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BU of 1wv5 by Molmil
X-ray structure of the A-decamer GCGTATACGC with a single 2'-o-butyl thymine in place of T6, Mg-form
Descriptor: 5'-D(*GP*CP*GP*TP*AP*(2BT)P*AP*CP*GP*C)-3', MAGNESIUM ION
Authors:Egli, M, Minasov, G, Tereshko, V, Pallan, P.S, Teplova, M, Inamati, G.B, Lesnik, E.A, Owens, S.R, Ross, B.S, Prakash, T.P, Manoharam, M.
Deposit date:2004-12-11
Release date:2005-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Probing the influence of stereoelectronic effects on the biophysical properties of oligonucleotides: comprehensive analysis of the RNA affinity, nuclease resistance, and crystal structure of ten 2'-O-ribonucleic acid modifications.
Biochemistry, 44, 2005
3IR2
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BU of 3ir2 by Molmil
Crystal structure of the APOBEC3G catalytic domain
Descriptor: CHLORIDE ION, DNA dC->dU-editing enzyme APOBEC-3G, MAGNESIUM ION, ...
Authors:Shandilya, S.M.D, Schiffer, C.A.
Deposit date:2009-08-21
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of the APOBEC3G Catalytic Domain Reveals Potential Oligomerization Interfaces.
Structure, 18, 2010
7AC0
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BU of 7ac0 by Molmil
Epoxide hydrolase CorEH without ligand
Descriptor: Soluble epoxide hydrolase
Authors:Palm, G.J, Lammers, M, Berndt, L.
Deposit date:2020-09-09
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.177 Å)
Cite:Promiscuous Dehalogenase Activity of the Epoxide Hydrolase CorEH from Corynebacterium sp. C12
Acs Catalysis, 11, 2021
6ST8
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BU of 6st8 by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein
Descriptor: Major strawberry allergen Fra a 1-2
Authors:Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
Deposit date:2019-09-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
6ST9
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BU of 6st9 by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, D48R mutant
Descriptor: CHLORIDE ION, Major strawberry allergen Fra a 1-2
Authors:Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
Deposit date:2019-09-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
6STA
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BU of 6sta by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, E46A D48A mutant
Descriptor: Major strawberry allergen Fra a 1-2
Authors:Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
Deposit date:2019-09-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
468D
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BU of 468d by Molmil
CRYSTAL STRUCTURE AND IMPROVED ANTISENSE PROPERTIES OF 2'-O-(2-METHOXYETHYL)-RNA
Descriptor: MAGNESIUM ION, RNA (5'-R(*(C43)P*(G48)P*(C43)P*(G48)P*(A44)P*(A44)P*(U36)P*(U36)P*(C43)P*(G48)P*(C43)P*(G48))-3')
Authors:Teplova, M, Minasov, G, Tereshko, V, Inamati, G, Cook, P.D, Egli, M.
Deposit date:1999-04-29
Release date:1999-05-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and improved antisense properties of 2'-O-(2-methoxyethyl)-RNA.
Nat.Struct.Biol., 6, 1999
470D
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BU of 470d by Molmil
CRYSTAL STRUCTURE AND IMPROVED ANTISENSE PROPERTIES OF 2'-O-(2-METHOXYETHYL)-RNA
Descriptor: MAGNESIUM ION, RNA (5'-R(*(C43)P*(G48)P*(C43)P*(G48)P*(A44)P*(A44)P*(U36)P*(U36)P*(C43)P*(G48)P*(C43)P*(G48))-3')
Authors:Teplova, M, Minasov, G, Tereshko, V, Inamati, G, Cook, P.D, Egli, M.
Deposit date:1999-04-29
Release date:1999-05-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure and improved antisense properties of 2'-O-(2-methoxyethyl)-RNA.
Nat.Struct.Biol., 6, 1999
469D
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BU of 469d by Molmil
CRYSTAL STRUCTURE AND IMPROVED ANTISENSE PROPERTIES OF 2'-O-(2-METHOXYETHYL)-RNA
Descriptor: MAGNESIUM ION, RNA (5'-R(*(C43)P*(G48)P*(C43)P*(G48)P*(A44)P*(A44)P*(U36)P*(U36)P*(C43)P*(G48)P*(C43)P*(G48))-3')
Authors:Teplova, M, Minasov, G, Tereshko, V, Inamati, G, Cook, P.D, Egli, M.
Deposit date:1999-04-29
Release date:1999-05-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure and improved antisense properties of 2'-O-(2-methoxyethyl)-RNA.
Nat.Struct.Biol., 6, 1999
7LO9
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BU of 7lo9 by Molmil
RNA dodecamer containing a GNA A residue
Descriptor: Chains: A,B,C,D
Authors:Harp, J.M, Wawrzak, Z, Egli, M.
Deposit date:2021-02-09
Release date:2021-12-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Overcoming GNA/RNA base-pairing limitations using isonucleotides improves the pharmacodynamic activity of ESC+ GalNAc-siRNAs.
Nucleic Acids Res., 49, 2021
6VEM
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BU of 6vem by Molmil
Structure of RNA octamer
Descriptor: COBALT HEXAMMINE(III), Modified Octamer RNA
Authors:Pallan, P.S, Egli, M.
Deposit date:2020-01-02
Release date:2020-11-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Synthesis, chirality-dependent conformational and biological properties of siRNAs containing 5'-(R)- and 5'-(S)-C-methyl-guanosine.
Nucleic Acids Res., 48, 2020
6STB
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BU of 6stb by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, Q64W mutant
Descriptor: Major strawberry allergen Fra a 1-2
Authors:Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
Deposit date:2019-09-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
471D
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BU of 471d by Molmil
CRYSTAL STRUCTURE AND IMPROVED ANTISENSE PROPERTIES OF 2'-O-(2-METHOXYETHYL)-RNA
Descriptor: MAGNESIUM ION, RNA (5'-R(*(C43)P*(G48)P*(C43)P*(G48)P*(A44)P*(A44)P*(U36)P*(U36)P*(C43)P*(G48)P*(C43)P*(G48))-3')
Authors:Teplova, M, Minasov, G, Tereshko, V, Inamati, G, Cook, P.D, Egli, M.
Deposit date:1999-04-29
Release date:1999-05-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure and improved antisense properties of 2'-O-(2-methoxyethyl)-RNA.
Nat.Struct.Biol., 6, 1999
2JN0
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BU of 2jn0 by Molmil
Solution NMR structure of the ygdR protein from Escherichia coli. Northeast Structural Genomics target ER382A.
Descriptor: Hypothetical lipoprotein ygdR
Authors:Rossi, P, Chen, C.X, Jiang, M, Cunningham, K, Ma, L, Xiao, R, Liu, J.C, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-12-15
Release date:2007-05-01
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of the ygdR protein from Escherichia coli. Northeast Structural Genomics target ER382A.
To be Published
2HEP
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BU of 2hep by Molmil
Solution NMR structure of the UPF0291 protein ynzC from Bacillus subtilis. Northeast Structural Genomics target SR384.
Descriptor: UPF0291 protein ynzC
Authors:Aramini, J.M, Swapna, G.V.T, Ho, C.K, Shetty, K, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-21
Release date:2006-08-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR structure of the SOS response protein YnzC from Bacillus subtilis
Proteins, 72, 2008
8USR
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BU of 8usr by Molmil
IL17A homodimer complexed to Compound 23
Descriptor: Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide
Authors:Argiriadi, M.A, Ramos, A.L.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
8USS
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BU of 8uss by Molmil
IL17A complexed to Compound 7
Descriptor: 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A
Authors:Argiriadi, M.A, Ramos, A.L.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
6O6J
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BU of 6o6j by Molmil
Crystal structure of the LjCASTOR gating ring in the Ca2+ and Na+ condition
Descriptor: CALCIUM ION, Ion channel CASTOR, MAGNESIUM ION, ...
Authors:Jiang, Y, Kim, S.
Deposit date:2019-03-06
Release date:2019-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ca2+-regulated Ca2+channels with an RCK gating ring control plant symbiotic associations.
Nat Commun, 10, 2019
6O7A
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BU of 6o7a by Molmil
Crystal structure of the LjCASTOR gating ring in the Ca2+-free state
Descriptor: Ion channel CASTOR
Authors:Jiang, Y, Kim, S.
Deposit date:2019-03-07
Release date:2019-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Ca2+-regulated Ca2+channels with an RCK gating ring control plant symbiotic associations.
Nat Commun, 10, 2019
6O7C
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BU of 6o7c by Molmil
Crystal structure of the LjCASTOR gating ring in the Ca2+ and K+ state
Descriptor: CALCIUM ION, Ion channel CASTOR, MAGNESIUM ION, ...
Authors:Jiang, Y, Kim, S.
Deposit date:2019-03-07
Release date:2019-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ca2+-regulated Ca2+channels with an RCK gating ring control plant symbiotic associations.
Nat Commun, 10, 2019
3EY3
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BU of 3ey3 by Molmil
A Conformational Transition in the Structure of a 2'-Thiomethyl-Modified DNA Visualized at High Resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-D(*CP*GP*CP*GP*AP*AP*(USM)P*(USM)P*CP*GP*CP*G)-3', STRONTIUM ION
Authors:Egli, M, Pallan, P.S.
Deposit date:2008-10-17
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A conformational transition in the structure of a 2'-thiomethyl-modified DNA visualized at high resolution.
Chem.Commun.(Camb.), 15, 2009
2INW
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BU of 2inw by Molmil
Crystal structure of Q83JN9 from Shigella flexneri at high resolution. Northeast Structural Genomics Consortium target SfR137.
Descriptor: PHOSPHATE ION, Putative structural protein
Authors:Kuzin, A.P, Su, M, Jayaraman, S, Vorobiev, S.M, Wang, D, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-10-09
Release date:2006-10-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
3EY2
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BU of 3ey2 by Molmil
A Conformational Transition in the Structure of a 2'-Thiomethyl-Modified DNA Visualized at High Resolution
Descriptor: 5'-D(*GP*CP*GP*TP*AP*(USM)P*AP*CP*GP*C)-3', N-methylpropane-1,3-diamine
Authors:Egli, M, Pallan, P.S.
Deposit date:2008-10-17
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:A conformational transition in the structure of a 2'-thiomethyl-modified DNA visualized at high resolution.
Chem.Commun.(Camb.), 15, 2009
3EY1
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BU of 3ey1 by Molmil
A Conformational Transition in the Structure of a 2'-Thiomethyl-Modified DNA Visualized at High Resolution
Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*(USM)P*(USM)P*CP*GP*CP*G)-3', GLYCEROL, Ribonuclease H
Authors:Egli, M, Pallan, P.S.
Deposit date:2008-10-17
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A conformational transition in the structure of a 2'-thiomethyl-modified DNA visualized at high resolution.
Chem.Commun.(Camb.), 15, 2009
2FIH
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BU of 2fih by Molmil
Crystal Structure Analysis of the B-DNA Dodecamer CGCGAA-aU-TCGCG, with Incorporated Arabino-Uridine (aU)
Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*(UAR)P*TP*CP*GP*CP*G)-3', MAGNESIUM ION
Authors:Egli, M, Li, F.
Deposit date:2005-12-29
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:2'-Fluoroarabino- and arabinonucleic acid show different conformations, resulting in deviating RNA affinities and processing of their heteroduplexes with RNA by RNase H.
Biochemistry, 45, 2006

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