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6W3Q
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APE1 exonuclease substrate complex L104R
分子名称: CALCIUM ION, DNA-(apurinic or apyrimidinic site) lyase, GCTGATGCG(C7R), ...
著者Freudenthal, B.D, Whitaker, A.M.
登録日2020-03-09
公開日2020-06-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
6VNT
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BU of 6vnt by Molmil
Tryptophan synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and sodium ion at the metal coordination site at 1.25 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
著者Hilario, E, Fan, L, Dunn, M.F, Mueller, L.J.
登録日2020-01-29
公開日2021-02-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Tryptophan synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and sodium ion at the metal coordination site at 1.25 Angstrom resolution.
To be Published
6VO6
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Crystal Structure of Cj1427, an Essential NAD-dependent Dehydrogenase from Campylobacter jejuni, in the Presence of NADH and GDP
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, ...
著者Anderson, T.K, Spencer, K.D, Thoden, J.B, Huddleston, J.P, Raushel, F.M, Holden, H.M.
登録日2020-01-30
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Analysis of Cj1427, an Essential NAD-Dependent Dehydrogenase for the Biosynthesis of the Heptose Residues in the Capsular Polysaccharides ofCampylobacter jejuni.
Biochemistry, 59, 2020
6VV1
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Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT384
分子名称: 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
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 (2.45 Å)
主引用文献Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6W3U
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APE1 exonuclease substrate complex R237C
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Freudenthal, B.D, Whitaker, A.M.
登録日2020-03-09
公開日2020-06-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
6MYW
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BU of 6myw by Molmil
Gluconobacter Ene-Reductase (GluER) mutant - T36A
分子名称: ACETATE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Garfinkle, S.E, Jeffrey, P, Hyster, T.K.
登録日2018-11-02
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.157 Å)
主引用文献Photoexcitation of flavoenzymes enables a stereoselective radical cyclization.
Science, 364, 2019
6VUW
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Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT368
分子名称: (7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, GLYCEROL, N-acetyltransferase Eis, ...
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 (2.87 Å)
主引用文献Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6W3V
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Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-phenylalanine
分子名称: CHLORIDE ION, Methyl-accepting chemotaxis protein, PHENYLALANINE, ...
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 (1.47 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
7C3F
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BU of 7c3f by Molmil
Crystal structure of ferredoxin: thioredoxin reductase and thioredoxin m2 complex
分子名称: Ferredoxin-thioredoxin reductase catalytic chain, chloroplastic, Ferredoxin-thioredoxin reductase variable chain, ...
著者Kurisu, G, Juniar, L, Tanaka, H.
登録日2020-05-12
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3986 Å)
主引用文献Structural basis for thioredoxin isoform-based fine-tuning of ferredoxin-thioredoxin reductase activity.
Protein Sci., 29, 2020
6ND9
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RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN WITH CALCIUM
分子名称: AMMONIUM ION, CALCIUM ION, CHLORIDE ION, ...
著者Stetefeld, J, McDougall, M.D, Loewen, P.C.
登録日2018-12-13
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN AND CALCIUM
To be published
4RU5
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BU of 4ru5 by Molmil
Crystal Structure of the Pseudomonas phage phi297 tailspike gp61
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Browning, C, Sycheva, L.V, Shneider, M.M, Leiman, P.G.
登録日2014-11-18
公開日2015-11-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The O-specific polysaccharide lyase from the phage LKA1 tailspike reduces Pseudomonas virulence.
Sci Rep, 7, 2017
6OL0
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BU of 6ol0 by Molmil
Structure of VcINDY bound to Malate
分子名称: (2S)-2-hydroxybutanedioic acid, SODIUM ION, Transporter, ...
著者Sauer, D.B, Marden, J.J, Wang, D.N.
登録日2019-04-15
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.502 Å)
主引用文献Elevator mechanism dynamics in a sodium-coupled dicarboxylate transporter
Biorxiv, 2022
6ZS1
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BU of 6zs1 by Molmil
Chaetomium thermophilum CuZn-superoxide dismutase
分子名称: COPPER (II) ION, GLYCEROL, PHOSPHATE ION, ...
著者Papageorgiou, A.C, Mohsin, I.
登録日2020-07-15
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal Structure of a Cu,Zn Superoxide Dismutase From the Thermophilic Fungus Chaetomium thermophilum.
Protein Pept.Lett., 28, 2021
4EQI
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BU of 4eqi by Molmil
Crystal structure of serratia fonticola carbapenemase SFC-1
分子名称: 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1, SODIUM ION
著者Fonseca, F, Spencer, J.
登録日2012-04-18
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations.
J.Am.Chem.Soc., 134, 2012
5E9S
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BU of 5e9s by Molmil
Crystal structure of substrate-bound glutamate transporter homologue GltTk
分子名称: ASPARTIC ACID, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ...
著者Guskov, A, Slotboom, D.J.
登録日2015-10-15
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Coupled binding mechanism of three sodium ions and aspartate in the glutamate transporter homologue GltTk.
Nat Commun, 7, 2016
5DDQ
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BU of 5ddq by Molmil
L-glutamine riboswitch bound with L-glutamine soaked with Mn2+
分子名称: GLUTAMINE, L-glutamine riboswitch RNA (61-MER), MAGNESIUM ION, ...
著者Ren, A, Patel, D.J.
登録日2015-08-25
公開日2015-12-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch.
Cell Rep, 13, 2015
5IBX
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BU of 5ibx by Molmil
1.65 Angstrom Crystal Structure of Triosephosphate Isomerase (TIM) from Streptococcus pneumoniae
分子名称: SODIUM ION, Triosephosphate isomerase
著者Minasov, G, Shuvalova, L, Dubrovska, I, Flores, K, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-02-22
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献1.65 Angstrom Crystal Structure of Triosephosphate Isomerase (TIM) from Streptococcus pneumoniae
To Be Published
4UBH
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BU of 4ubh by Molmil
Resting state of rat cysteine dioxygenase Y157F variant
分子名称: CHLORIDE ION, Cysteine dioxygenase type 1, FE (II) ION, ...
著者Tchesnokov, E.P, Fellner, M, Jameson, G.N.L, Wilbanks, S.M.
登録日2014-08-13
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structure of cysteine dioxygenase mutant
To be published
6DWJ
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BU of 6dwj by Molmil
SAMHD1 Bound to Vidarabine-TP in the Catalytic Pocket
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
登録日2018-06-26
公開日2018-10-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4K70
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BU of 4k70 by Molmil
Crystal Structure of N-terminal half of Pseudorabiesvirus UL37 protein
分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Pitts, J.D, Heldwein, E.E.
登録日2013-04-16
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Herpesvirus Inner Tegument Protein UL37 Supports Its Essential Role in Control of Viral Trafficking.
J.Virol., 88, 2014
2ONM
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BU of 2onm by Molmil
Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with NAD+
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, ...
著者Larson, H.N, Hurley, T.D.
登録日2007-01-24
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
5F2Q
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C-type lectin from Bothrops jararacussu
分子名称: C-type lectin BJcuL, CALCIUM ION, SODIUM ION
著者de Padua, R.A.P, Pinheiro, M.P, Sartim, M.A, Sampaio, S.V, Nonato, M.C.
登録日2015-12-02
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献C-type lectin from Bothrops jararacussu
To Be Published
4QF6
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Structure of Aldehyde Dehydrogenase from Bacillus cereus, E194S mutant
分子名称: Aldehyde dehydrogenase, SODIUM ION
著者Ngo, H.P.T, Hong, S.H, Oh, D.K, Kang, L.W.
登録日2014-05-19
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Kinetic Analysis for Cofactor-binding Residues in Mammalian-like Aldehyde Dehydrogenase from Bacillus cereus Involved in Oxidation and Reduction Activity for All-trans-retinal
To be Published
6ETG
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BU of 6etg by Molmil
Crystal structure of KDM4D with tetrazolhydrazide compound 6
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ...
著者Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U.
登録日2017-10-26
公開日2019-02-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.279 Å)
主引用文献Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
6F1R
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Tetragonal Lysozyme crystallized at 298 K and pH 4.5 with phosphate bound: control experiment
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Camara-Artigas, A.
登録日2017-11-22
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding.
Acta Crystallogr D Struct Biol, 74, 2018

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件を2024-08-07に公開中

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