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7AN6
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BU of 7an6 by Molmil
Enzyme of biosynthetic pathway
分子名称: (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, Chorismate dehydratase, GLYCEROL
著者Archna, A, Breithaupt, C, Stubbs, M.T.
登録日2020-10-11
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
J.Biol.Chem., 2022
6VIP
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BU of 6vip by Molmil
TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008
分子名称: TP53-binding protein 1, UNKNOWN ATOM OR ION, {4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone
著者The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2020-01-13
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008
to be published
7AN7
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BU of 7an7 by Molmil
Enzyme of biosynthetic pathway
分子名称: 3-[(1-Carboxyvinyl)oxy]benzoic acid, Chorismate dehydratase, GLYCEROL
著者Archna, A, Breithaupt, C, Stubbs, M.T.
登録日2020-10-11
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
J.Biol.Chem., 2022
7UT3
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BU of 7ut3 by Molmil
Crystal structure of complex of Fab, G10C with GalNAc-pNP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside, Fab protein heavy chain, ...
著者Li, M, Wlodawer, A.
登録日2022-04-26
公開日2022-09-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Development of a GalNAc-Tyrosine-Specific Monoclonal Antibody and Detection of Tyrosine O -GalNAcylation in Numerous Human Tissues and Cell Lines.
J.Am.Chem.Soc., 144, 2022
6W7H
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BU of 6w7h by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
分子名称: 6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein
著者Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M.
登録日2020-03-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
7AN8
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BU of 7an8 by Molmil
Enzyme of biosynthetic pathway
分子名称: 3-[(1-Carboxyvinyl)oxy]benzoic acid, Chorismate dehydratase, GLYCEROL
著者Archna, A, Breithaupt, C, Stubbs, M.T.
登録日2020-10-11
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
J.Biol.Chem., 2022
2O16
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BU of 2o16 by Molmil
Crystal structure of a putative acetoin utilization protein (AcuB) from Vibrio cholerae
分子名称: Acetoin utilization protein AcuB, putative, PHOSPHATE ION
著者Patskovsky, Y, Bonanno, J.B, Rutter, M, Bain, K.T, Powell, A, Slocombe, A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-11-28
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a putative acetoin utilization protein (AcuB) from Vibrio cholerae
To be Published
6VV2
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BU of 6vv2 by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1348
分子名称: 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2020-02-16
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6VZT
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BU of 6vzt by Molmil
TTLL6 bound to ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, M.E, Tjandra, N, Roll-Mecak, A.
登録日2020-02-28
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
2O6T
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BU of 2o6t by Molmil
Crystal structure of the PA5185 protein from Pseudomonas Aeruginosa strain PAO1- orthorhombic form (P2221).
分子名称: CHLORIDE ION, THIOESTERASE
著者Chruszcz, M, Koclega, K.D, Evdokimova, E, Cymborowski, M, Kudritska, M, Savchenko, A, Edwards, A, Minor, W.
登録日2006-12-08
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Function-biased choice of additives for optimization of protein crystallization - the case of the putative thioesterase PA5185 from Pseudomonas aeruginosa PAO1.
Cryst.Growth Des., 8, 2008
7TIL
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BU of 7til by Molmil
CryoEM structure of JetD from Pseudomonas aeruginosa
分子名称: JetD
著者Deep, A, Gu, Y, Gao, Y, Ego, K, Herzik, M, Zhou, H, Corbett, K.
登録日2022-01-13
公開日2022-10-05
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献The SMC-family Wadjet complex protects bacteria from plasmid transformation by recognition and cleavage of closed-circular DNA.
Mol.Cell, 82, 2022
7U4E
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BU of 7u4e by Molmil
Neuraminidase from influenza virus A/Bilthoven/17938/1969(H3N2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Lei, R, Hernandez Garcia, A.
登録日2022-02-28
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Prevalence and mechanisms of evolutionary contingency in human influenza H3N2 neuraminidase.
Nat Commun, 13, 2022
7B0C
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BU of 7b0c by Molmil
[4Fe-4S]-NsrR complexed to 23-bp HmpA1 operator fragment
分子名称: DNA (5'-D(P*AP*AP*CP*AP*CP*GP*AP*AP*TP*AP*TP*CP*AP*TP*CP*TP*AP*CP*CP*AP*AP*TP*T)-3'), DNA (5'-D(P*AP*AP*TP*TP*GP*GP*TP*AP*GP*AP*TP*GP*AP*TP*AP*TP*TP*CP*GP*TP*GP*TP*T)-3'), HTH-type transcriptional repressor NsrR, ...
著者Rohac, R, Fontecilla-Camps, J.C, Volbeda, A.
登録日2020-11-19
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural determinants of DNA recognition by the NO sensor NsrR and related Rrf2-type [FeS]-transcription factors.
Commun Biol, 5, 2022
6W3X
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BU of 6w3x by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-valine
分子名称: GLYCEROL, Methyl-accepting chemotaxis protein, SULFATE ION, ...
著者Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
登録日2020-03-09
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
7U9G
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BU of 7u9g by Molmil
Rabies virus glycoprotein pre-fusion trimer in complex with neutralizing antibody RVA122
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, RVA122 Fab Heavy Chain, ...
著者Callaway, H.M, Zyla, D, Larrous, F, Dias de Melo, G, Hastie, K.M, Avalos, R.D, Agarwal, A, Bouhry, H, Corti, D, Saphire, E.O.
登録日2022-03-10
公開日2022-07-20
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Structure of the rabies virus glycoprotein trimer bound to a prefusion-specific neutralizing antibody.
Sci Adv, 8, 2022
7U4F
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BU of 7u4f by Molmil
Neuraminidase from influenza virus A/Moscow/10/1999(H3N2)
分子名称: CALCIUM ION, Neuraminidase, SULFATE ION, ...
著者Lei, R, Hernandez Garcia, A.
登録日2022-02-28
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Prevalence and mechanisms of evolutionary contingency in human influenza H3N2 neuraminidase.
Nat Commun, 13, 2022
7U6P
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BU of 7u6p by Molmil
Structure of an intellectual disability-associated ornithine decarboxylase variant G84R
分子名称: Ornithine decarboxylase, PHOSPHATE ION
著者Zhou, X.E, Schultz, C.R, Powell, K.S, Henrickson, A, Lamp, J, Brunzelle, J.S, Demeler, B, Vega, I.E, Bachmann, A.S, Melcher, K.
登録日2022-03-04
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure and Enzymatic Activity of an Intellectual Disability-Associated Ornithine Decarboxylase Variant, G84R.
Acs Omega, 7, 2022
2O6U
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BU of 2o6u by Molmil
Crystal structure of the PA5185 protein from Pseudomonas Aeruginosa strain PAO1- new crystal form.
分子名称: THIOESTERASE
著者Chruszcz, M, Koclega, K.D, Evdokimova, E, Cymborowski, M, Kudritska, M, Savchenko, A, Edwards, A, Minor, W.
登録日2006-12-08
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Function-biased choice of additives for optimization of protein crystallization - the case of the putative thioesterase PA5185 from Pseudomonas aeruginosa PAO1.
Cryst.Growth Des., 8, 2008
7U4G
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BU of 7u4g by Molmil
Neuraminidase from influenza virus A/Shandong/9/1993(H3N2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
著者Lei, R, Hernandez Garcia, A.
登録日2022-02-28
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Prevalence and mechanisms of evolutionary contingency in human influenza H3N2 neuraminidase.
Nat Commun, 13, 2022
7U6U
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BU of 7u6u by Molmil
Structure of an intellectual disability-associated ornithine decarboxylase variant G84R in complex with PLP
分子名称: Ornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE
著者Zhou, X.E, Schultz, C.R, Powell, K.S, Henrickson, A, Lamp, J, Brunzelle, J.S, Demeler, B, Vega, I.E, Bachmann, A.S, Melcher, K.
登録日2022-03-06
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and Enzymatic Activity of an Intellectual Disability-Associated Ornithine Decarboxylase Variant, G84R.
Acs Omega, 7, 2022
6VZV
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BU of 6vzv by Molmil
TTLL6 bound to gamma-elongation analog
分子名称: (2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, (2~{S})-2-[[[(3~{S})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, ...
著者Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, M.E, Tjandra, N, Roll-Mecak, A.
登録日2020-02-28
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
6VUT
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BU of 6vut by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT392
分子名称: 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2020-02-16
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6W0E
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BU of 6w0e by Molmil
Open-gate KcsA soaked in 10 mM BaCl2
分子名称: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
著者Rohaim, A, Gong, L, Li, J.
登録日2020-02-29
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.512 Å)
主引用文献Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6W0K
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BU of 6w0k by Molmil
HBV D78S mutant capsid
分子名称: Capsid protein
著者Zhao, Z, Wang, J, Zlotnick, A.
登録日2020-03-01
公開日2020-09-30
最終更新日2020-12-30
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly.
Acs Chem.Biol., 15, 2020
2OBV
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BU of 2obv by Molmil
Crystal structure of the human S-adenosylmethionine synthetase 1 in complex with the product
分子名称: S-ADENOSYLMETHIONINE, S-adenosylmethionine synthetase isoform type-1, SODIUM ION, ...
著者Pilka, E.S, Shafqat, N, Kavanagh, K.L, Cooper, C, Hozjan, V, Turnbull, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2006-12-20
公開日2007-01-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of the human S-adenosylmethionine synthetase 1 in complex with the product.
To be Published

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件を2024-07-17に公開中

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