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8PAI
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Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] N2-methyl-2-aminoethenoadenosine
Descriptor: 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] N2-methyl-2-aminoethenoadenosine, Histidine triad nucleotide-binding protein 1
Authors:Dolot, R.M, Dillenburg, M, Wagner, C.R.
Deposit date:2023-06-07
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel inhibitors for hHINT1 protein
To Be Published
8PA6
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Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl 2-aminoethenoadenosine
Descriptor: 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl 2-aminoethenoadenosine, Histidine triad nucleotide-binding protein 1
Authors:Dolot, R.M, Dillenburg, M, Wagner, C.R.
Deposit date:2023-06-07
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Novel inhibitors for hHINT1 protein
To Be Published
1I11
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BU of 1i11 by Molmil
SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN, SOX-5 HMG BOX FROM MOUSE
Descriptor: TRANSCRIPTION FACTOR SOX-5
Authors:Cary, P.D, Read, C.M, Davis, B, Driscoll, P.C, Crane-Robinson, C.
Deposit date:2001-01-30
Release date:2001-02-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of the DNA-binding domain of mouse Sox-5.
Protein Sci., 10, 2001
6PK5
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BU of 6pk5 by Molmil
Adenylate kinase from Methanococcus igneus - apo form
Descriptor: Adenylate kinase, CHLORIDE ION
Authors:Moon, S, Kim, J, Bae, E, Phillips Jr, G.N.
Deposit date:2019-06-28
Release date:2020-07-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Adenylate kinase from Methanococcus igneus - apo form
To Be Published
6SX6
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BU of 6sx6 by Molmil
Guanine-rich oligonucleotide with 5'-GC end form G-quadruplex with A(GGGG)A hexad, GCGC- and G-quartets and two symmetric GG and AA base pairs
Descriptor: GCn
Authors:Pavc, D, Wang, B, Spindler, L, Drevensek-Olenik, I, Plavec, J, Sket, P.
Deposit date:2019-09-25
Release date:2020-07-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:GC ends control topology of DNA G-quadruplexes and their cation-dependent assembly.
Nucleic Acids Res., 48, 2020
4AXE
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BU of 4axe by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, SULFATE ION, ...
Authors:I Banos-Sanz, J, Sanz-Aparicio, J, Gonzalez, B.
Deposit date:2012-06-12
Release date:2012-07-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational Changes Undergone by Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase Upon Substrate Binding: The Role of N-Lobe and Enantiomeric Substrate Preference
J.Biol.Chem., 287, 2012
4AXC
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Inositol 1,3,4,5,6-pentakisphosphate 2-kinase apo form
Descriptor: GLYCEROL, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, SULFATE ION, ...
Authors:I Banos-Sanz, J, Sanz-Aparicio, J, Gonzalez, B.
Deposit date:2012-06-12
Release date:2012-07-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Conformational Changes Undergone by Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase Upon Substrate Binding: The Role of N-Lobe and Enantiomeric Substrate Preference
J.Biol.Chem., 287, 2012
8PWK
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BU of 8pwk by Molmil
human HINT1 in complex with compound AT8003
Descriptor: Histidine triad nucleotide-binding protein 1, SODIUM ION, [(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-(methylamino)purin-9-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Authors:Zimberger, C, Canard, B, Ferron, F.
Deposit date:2023-07-20
Release date:2024-07-31
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:The activation cascade of the broad-spectrum antiviral bemnifosbuvir characterized at atomic resolution.
Plos Biol., 22, 2024
6SYK
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Guanine-rich oligonucleotide with 5'- and 3'-GC ends form G-quadruplex with A(GGGG)A hexad, GCGC- and G-quartets and two symmetric GG and AA base pair
Descriptor: GCnCG
Authors:Pavc, D, Wang, B, Spindler, L, Drevensek-Olenik, I, Plavec, J, Sket, P.
Deposit date:2019-09-30
Release date:2020-07-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:GC ends control topology of DNA G-quadruplexes and their cation-dependent assembly.
Nucleic Acids Res., 48, 2020
6PT8
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BU of 6pt8 by Molmil
Crystal Structure of CobT from Methanocaldococcus jannaschii in complex with Adenine Alpha-Ribotide and Nicotinic Acid
Descriptor: ALPHA-ADENOSINE MONOPHOSPHATE, NICOTINIC ACID, PHOSPHATE ION, ...
Authors:Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante, J.C, Rayment, I.
Deposit date:2019-07-15
Release date:2020-07-22
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
8OQX
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BU of 8oqx by Molmil
Crystal structure of Tannerella forsythia MurNAc kinase MurK with a phosphate analogue
Descriptor: 1,2-ETHANEDIOL, ATPase, DI(HYDROXYETHYL)ETHER, ...
Authors:Gogler, K, Fink, P, Stasiak, A.C, Stehle, T, Zocher, G.
Deposit date:2023-04-12
Release date:2023-08-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
8OQW
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Crystal structure of Tannerella forsythia MurNAc kinase MurK
Descriptor: ATPase, GLYCEROL, SULFATE ION
Authors:Gogler, K, Fink, P, Stasiak, A.C, Stehle, T, Zocher, G.
Deposit date:2023-04-12
Release date:2023-08-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
8OW7
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BU of 8ow7 by Molmil
Crystal structure of Tannerella forsythia sugar kinase K1058 in complex with N-acetylmuramic acid (MurNAc)
Descriptor: N-acetyl-beta-muramic acid, N-acetylglucosamine kinase, SULFATE ION
Authors:Stasiak, A.C, Gogler, K, Fink, P, Stehle, T, Zocher, G.
Deposit date:2023-04-27
Release date:2023-08-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
8OQK
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BU of 8oqk by Molmil
Crystal structure of Tannerella forsythia sugar kinase K1058
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-acetylglucosamine kinase
Authors:Gogler, K, Fink, P, Stasiak, A.C, Stehle, T, Zocher, G.
Deposit date:2023-04-12
Release date:2023-08-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
8OW9
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BU of 8ow9 by Molmil
Crystal structure of Tannerella forsythia MurNAc kinase MurK in complex with N-acetylmuramic acid (MurNAc)
Descriptor: N-acetyl-beta-muramic acid, Putative novel MurNAc kinase
Authors:Stasiak, A.C, Gogler, K, Fink, P, Stehle, T, Zocher, G.
Deposit date:2023-04-27
Release date:2023-08-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
6PTF
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BU of 6ptf by Molmil
Crystal Structure of CobT from Methanocaldococcus jannaschii in Apo State
Descriptor: UPF0284 protein MJ1598
Authors:Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2019-07-15
Release date:2020-07-22
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
8Q3Y
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BU of 8q3y by Molmil
Crystal structure of apo Can2 from Thermoanaerobacter brockii
Descriptor: DUF1887 family protein
Authors:Jungfer, K, Sigg, A, Jinek, M.
Deposit date:2023-08-04
Release date:2023-11-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Substrate selectivity and catalytic activation of the type III CRISPR ancillary nuclease Can2.
Nucleic Acids Res., 52, 2024
6PU6
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BU of 6pu6 by Molmil
CobT from Methanocaldococcus jannaschii in complex with Alpha-Ribozole 5'-Phosphate, Nicotinic Acid, and Nicotinic Acid Mononucleotide
Descriptor: ALPHA-RIBAZOLE-5'-PHOSPHATE, NICOTINATE MONONUCLEOTIDE, NICOTINIC ACID, ...
Authors:Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2019-07-17
Release date:2020-07-22
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.293 Å)
Cite:Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
7SD1
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BU of 7sd1 by Molmil
Crystal structure of SHOC2
Descriptor: Leucine-rich repeat protein SHOC-2
Authors:Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J.
Deposit date:2021-09-29
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural basis for SHOC2 modulation of RAS signalling.
Nature, 609, 2022
7DPA
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BU of 7dpa by Molmil
Cryo-EM structure of the human ELMO1-DOCK5-Rac1 complex
Descriptor: Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1
Authors:Kukimoto-Niino, M, Katsura, K, Kaushik, R, Ehara, H, Yokoyama, T, Uchikubo-Kamo, T, Mishima-Tsumagari, C, Yonemochi, M, Ikeda, M, Hanada, K, Zhang, K.Y.J, Shirouzu, M.
Deposit date:2020-12-18
Release date:2021-08-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of the human ELMO1-DOCK5-Rac1 complex.
Sci Adv, 7, 2021
7S3L
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BU of 7s3l by Molmil
Structure of Bacillus subtilis CcrZ (previously called YtmP)
Descriptor: Aminoglycoside phosphotransferase family protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Nandakumar, J, Wozniak, K.J.
Deposit date:2021-09-07
Release date:2022-05-11
Last modified:2022-06-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and kinase activity of bacterial cell cycle regulator CcrZ.
Plos Genet., 18, 2022
7SAN
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BU of 7san by Molmil
Crystal structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate
Descriptor: ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
Authors:Guddat, L.W, Keough, D.T.
Deposit date:2021-09-22
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.58155513 Å)
Cite:Stereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.
J.Med.Chem., 65, 2022
6RZQ
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BU of 6rzq by Molmil
Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain - ANP-PnP bound state
Descriptor: GLYCEROL, Heat shock protein 70, MAGNESIUM ION, ...
Authors:Vakonakis, I, Day, J.
Deposit date:2019-06-13
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:ThePlasmodium falciparumHsp70-x chaperone assists the heat stress response of the malaria parasite.
Faseb J., 33, 2019
5PZQ
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BU of 5pzq by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
Descriptor: 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid, Fructose-1,6-bisphosphatase 1
Authors:Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-04-16
Release date:2019-01-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
To be published
5Q07
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BU of 5q07 by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-6-morpholin-4-ylpyridin-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea
Descriptor: Fructose-1,6-bisphosphatase 1, N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
Authors:Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-04-16
Release date:2019-01-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.424 Å)
Cite:Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-6-morpholin-4-ylpyridin-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea
To be published

224572

数据于2024-09-04公开中

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