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8EDD
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BU of 8edd by Molmil
Staphylococcus aureus endonuclease IV Y33F mutant
Descriptor: CHLORIDE ION, FE (III) ION, PHOSPHATE ION, ...
Authors:Saper, M.A, Kirillov, S, Isupov, M.N, Wiener, R, Rouvinski, A.
Deposit date:2022-09-04
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Octahedrally coordinated iron in the catalytic site of endonuclease IV from Staphylococcus aureus
To Be Published
3GQE
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BU of 3gqe by Molmil
Crystal structure of macro domain of Venezuelan Equine Encephalitis virus
Descriptor: BICINE, Non-structural protein 3
Authors:Jamal, S, Malet, H, Coutard, B, Canard, B.
Deposit date:2009-03-24
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structures of Chikungunya and Venezuelan equine encephalitis virus nsP3 macro domains define a conserved adenosine binding pocket
J.Virol., 83, 2009
3GQO
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BU of 3gqo by Molmil
Crystal structure of macro domain of Venezuelan Equine Encephalitis virus in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
Authors:Malet, H, Jamal, S, Coutard, B, Ferron, F, Canard, B.
Deposit date:2009-03-24
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structures of Chikungunya and Venezuelan equine encephalitis virus nsP3 macro domains define a conserved adenosine binding pocket
J.Virol., 83, 2009
3GPQ
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BU of 3gpq by Molmil
Crystal structure of macro domain of Chikungunya virus in complex with RNA
Descriptor: Non-structural protein 3, RNA (5'-R(*AP*AP*A)-3')
Authors:Malet, H, Jamal, S, Coutard, B, Canard, B.
Deposit date:2009-03-23
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structures of Chikungunya and Venezuelan equine encephalitis virus nsP3 macro domains define a conserved adenosine binding pocket
J.Virol., 83, 2009
2XI3
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BU of 2xi3 by Molmil
HCV-H77 NS5B Polymerase Complexed With GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA-directed RNA polymerase
Authors:Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S.
Deposit date:2010-06-25
Release date:2010-08-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis
J.Biol.Chem., 285, 2010
3GRR
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BU of 3grr by Molmil
Crystal Structure of the complex between S-Adenosyl Homocysteine and Methanocaldococcus jannaschi Dim1.
Descriptor: Dimethyladenosine transferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Scarsdale, J.N, Musayev, F.N, Rife, J.P.
Deposit date:2009-03-26
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of adenosine-based ligands to the MjDim1 rRNA methyltransferase: implications for reaction mechanism and drug design.
Biochemistry, 49, 2010
3GRV
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BU of 3grv by Molmil
Crystal Structure of the Complex between Adenosine and Methanocaldococcus jannaschi Dim1
Descriptor: ADENOSINE, Dimethyladenosine transferase, SULFATE ION
Authors:Scarsdale, J.N, Musayev, F.N, Rife, J.P.
Deposit date:2009-03-26
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Binding of adenosine-based ligands to the MjDim1 rRNA methyltransferase: implications for reaction mechanism and drug design.
Biochemistry, 49, 2010
2XI2
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BU of 2xi2 by Molmil
HCV-H77 NS5B Apo Polymerase
Descriptor: RNA-directed RNA polymerase, SULFATE ION
Authors:Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S.
Deposit date:2010-06-25
Release date:2010-08-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis
J.Biol.Chem., 285, 2010
7R0R
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BU of 7r0r by Molmil
Solution structure of the designed Armadillo repeat protein N(A4)M4C(AII) refined by pseudocontact shifts
Descriptor: Designed Armadillo Repeat Protein N(A4)M4C(AII)
Authors:Cucuzza, S, Zerbe, O.
Deposit date:2022-02-02
Release date:2022-06-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Improved Repeat Protein Stability by Combined Consensus and Computational Protein Design.
Biochemistry, 62, 2023
3GRY
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BU of 3gry by Molmil
Crystal Structure of the complex between S-Adenosyl Methionine and Methanocaldococcus jannaschi Dim1.
Descriptor: Dimethyladenosine transferase, PHOSPHATE ION, S-ADENOSYLMETHIONINE
Authors:Scarsdale, J.N, Musayev, F.N, Rife, J.P.
Deposit date:2009-03-26
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of adenosine-based ligands to the MjDim1 rRNA methyltransferase: implications for reaction mechanism and drug design.
Biochemistry, 49, 2010
7PTR
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BU of 7ptr by Molmil
Structure of hexameric S-layer protein from Haloferax volcanii archaea
Descriptor: CALCIUM ION, Cell surface glycoprotein, beta-D-glucopyranose
Authors:von Kuegelgen, A, Bharat, T.A.M.
Deposit date:2021-09-27
Release date:2021-12-15
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Complete atomic structure of a native archaeal cell surface.
Cell Rep, 37, 2021
2G7M
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BU of 2g7m by Molmil
Crystal structure of B. fragilis N-succinylornithine transcarbamylase P90E mutant complexed with carbamoyl phosphate and N-acetylnorvaline
Descriptor: N-ACETYL-L-NORVALINE, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, SULFATE ION, ...
Authors:Shi, D, Yu, X, Roth, L, Morizono, H, Allewell, N.M, Tuchman, M.
Deposit date:2006-02-28
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Protein Sci., 16, 2007
3HGU
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BU of 3hgu by Molmil
Structure of Phenazine Antibiotic Biosynthesis Protein
Descriptor: EhpF
Authors:Bera, A.K, Atanasova, V, Parsons, J.F.
Deposit date:2009-05-14
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the D-alanylgriseoluteic acid biosynthetic protein EhpF, an atypical member of the ANL superfamily of adenylating enzymes.
Acta Crystallogr. D Biol. Crystallogr., 66, 2010
8C6J
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BU of 8c6j by Molmil
Human spliceosomal PM5 C* complex
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ...
Authors:Dybkov, O, Kastner, B, Luehrmann, R.
Deposit date:2023-01-12
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Regulation of 3' splice site selection after step 1 of splicing by spliceosomal C* proteins.
Sci Adv, 9, 2023
6F3L
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BU of 6f3l by Molmil
The crystal structure of Glycogen Phosphorylase in complex with 10b
Descriptor: 6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Barkas, T.A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2017-11-28
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.
Eur J Med Chem, 147, 2018
6F3J
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BU of 6f3j by Molmil
The crystal structure of Glycogen Phosphorylase in complex with 10a
Descriptor: 4-[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{H}-1,2,4-triazol-3-yl]phenyl]benzoic acid, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Stamati, E.C.V, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2017-11-28
Release date:2018-02-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.
Eur J Med Chem, 147, 2018
6F3U
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BU of 6f3u by Molmil
The crystal structure of Glycogen Phosphorylase in complex with 10h
Descriptor: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Gkerdi, A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2017-11-28
Release date:2018-02-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.
Eur J Med Chem, 147, 2018
6F3R
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BU of 6f3r by Molmil
The crystal structure of Glycogen Phosphorylase in complex with 10c
Descriptor: (2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(9~{H}-fluoren-2-yl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Barkas, T.A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2017-11-28
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.
Eur J Med Chem, 147, 2018
6F3S
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BU of 6f3s by Molmil
The crystal structure of Glycogen Phosphorylase in complex with 10d
Descriptor: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Stamati, E.C.V, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2017-11-28
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.
Eur J Med Chem, 147, 2018
8FHM
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BU of 8fhm by Molmil
RNase A-Uridine 5'-Hexaphosphate (RNaseA.p6U)
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine, Ribonuclease pancreatic
Authors:Park, G, Cummins, C.
Deposit date:2022-12-14
Release date:2023-12-20
Last modified:2024-08-07
Method:SOLUTION SCATTERING (1.79 Å), X-RAY DIFFRACTION
Cite:Pentaphosphorylation via the Anhydride of Dihydrogen Pentametaphosphate: Access to Nucleoside Hexa- and Heptaphosphates and Study of Their Interaction with Ribonuclease A.
Acs Cent.Sci., 10, 2024
6FKO
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BU of 6fko by Molmil
Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, dGMP, hadacidin at 2.1 Angstrom resolution
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, ...
Authors:Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A.
Deposit date:2018-01-24
Release date:2019-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, dGMP, HAdacidin at 2.1 Angstrom resolution
To Be Published
6FLF
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BU of 6flf by Molmil
Deoxyguanylosuccinate synthase (DgsS) structure at 1.33 Angstrom resolution.
Descriptor: Adenylosuccinate synthetase
Authors:Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A.
Deposit date:2018-01-25
Release date:2019-06-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:A third purine biosynthetic pathway encoded by aminoadenine-based viral DNA genomes.
Science, 372, 2021
6FM1
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BU of 6fm1 by Molmil
Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATPanddGMP at 2.3 Angstrom resolution
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, ...
Authors:Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A.
Deposit date:2018-01-29
Release date:2019-06-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A third purine biosynthetic pathway encoded by aminoadenine-based viral DNA genomes.
Science, 372, 2021
4DTH
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BU of 4dth by Molmil
Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ATP and Mg++
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Durand, E, Audoly, G, Derrez, E, Spinelli, S, Ortiz-Lombardia, M, Cascales, E, Raoult, D, Cambillau, C.
Deposit date:2012-02-21
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ATP and Mg++
J.Biol.Chem., 2012
6FM3
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BU of 6fm3 by Molmil
Deoxyguanylosuccinate synthase (DgsS) structure with ADP at 1.9 Angstrom resolution
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylosuccinate synthetase, CHLORIDE ION
Authors:Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A.
Deposit date:2018-01-30
Release date:2019-06-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP0, dGMP, Magnesium at 2.3 Angstrom resolution
To Be Published

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