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6ZLD
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Crystal Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with UDP-Glucuronic acid and NAD
分子名称: Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID
著者Iacovino, L.G, Savino, S, Mattevi, A.
登録日2020-06-30
公開日2020-07-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction.
J.Biol.Chem., 295, 2020
6ZLL
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Crystal Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with UDP-Galacturonic acid and NAD
分子名称: (2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid, Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Iacovino, L.G, Savino, S, Mattevi, A.
登録日2020-06-30
公開日2020-07-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction.
J.Biol.Chem., 295, 2020
6ZCT
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BU of 6zct by Molmil
Nonstructural protein 10 (nsp10) from SARS CoV-2
分子名称: ZINC ION, nsp10
著者Rogstam, A, Nyblom, M, Christensen, S, Sele, C, Lindvall, T, Rasmussen, A.A, Andre, I, Fisher, S.Z, Knecht, W, Kozielski, F.
登録日2020-06-12
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2.
Int J Mol Sci, 21, 2020
6ZEH
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BU of 6zeh by Molmil
Structure of PP1-spectrin alpha II chimera [PP1(7-304) + linker (G/S)x9 + spectrin alpha II (1025-1039)] bound to Phactr1 (516-580)
分子名称: MANGANESE (II) ION, PHOSPHATE ION, Phosphatase and actin regulator, ...
著者Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
登録日2020-06-16
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
6YUH
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Crystal structure of SMYD3 with diperodon R enantiomer bound to allosteric site
分子名称: Diperodon, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Cederfelt, D, Talibov, V.O, Dobritzsch, D, Danielson, U.H.
登録日2020-04-27
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase.
Chembiochem, 22, 2021
6ZJ9
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Crystal structure of Equus ferus caballus glutathione transferase A3-3 in complex with glutathione
分子名称: 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase
著者Skerlova, J, Ismail, A, Lindstrom, H, Sjodin, B, Mannervik, B, Stenmark, P.
登録日2020-06-28
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional analysis of the inhibition of equine glutathione transferase A3-3 by organotin endocrine disrupting pollutants.
Environ Pollut, 268, 2021
6YUS
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Capsule O-acetyltransferase of Neisseria meningitidis serogroup A H228A mutant in complex with CoA
分子名称: 1,2-ETHANEDIOL, COENZYME A, DI(HYDROXYETHYL)ETHER, ...
著者Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M.
登録日2020-04-27
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A.
Nat Commun, 11, 2020
6ZJD
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Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GTP:AMP phosphotransferase AK3, ...
著者Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
登録日2020-06-28
公開日2020-09-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3.
Biochemistry, 59, 2020
6ZL6
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BU of 6zl6 by Molmil
Crystal Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with UDP and NAD
分子名称: Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE
著者Iacovino, L.G, Mattevi, A.
登録日2020-06-30
公開日2020-07-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction.
J.Biol.Chem., 295, 2020
6ZLF
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BU of 6zlf by Molmil
Aerobic crystal structure of F420H2-Oxidase from Methanothermococcus thermolithotrophicus at 1.8A resolution under 125 bars of krypton
分子名称: CHLORIDE ION, Coenzyme F420H2 oxidase (FprA), FLAVIN MONONUCLEOTIDE, ...
著者Engilberge, S, Wagner, T, Carpentier, P, Girard, E, Shima, S.
登録日2020-06-30
公開日2020-11-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Krypton-derivatization highlights O 2 -channeling in a four-electron reducing oxidase.
Chem.Commun.(Camb.), 56, 2020
6Z24
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BU of 6z24 by Molmil
Acylenzyme complex of ceftazidime bound to deacylation mutant KPC-2 (E166Q)
分子名称: ACYLATED CEFTAZIDIME, Carbapenem-hydrolyzing beta-lactamase KPC, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-05-14
公開日2020-12-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance.
J.Biol.Chem., 296, 2020
7QKE
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BU of 7qke by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant)
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate
著者Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
6Z55
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Crystal structure of CLK3 in complex with macrocycle ODS2004070
分子名称: 1,2-ETHANEDIOL, 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, Dual specificity protein kinase CLK3, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of CLK3 in complex with macrocycle ODS2004070
To Be Published
6Z4Z
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Crystal structure of CLK1 in complex with macrocycle ODS2004070
分子名称: 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, Dual specificity protein kinase CLK1, GLYCEROL, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal structure of CLK1 in complex with macrocycle ODS2004070
To Be Published
4F4V
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BU of 4f4v by Molmil
Human Insulin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
登録日2012-05-11
公開日2013-05-15
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (1.637 Å)
主引用文献Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4F51
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BU of 4f51 by Molmil
Human Insulin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
登録日2012-05-11
公開日2013-05-15
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (1.637 Å)
主引用文献Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
6Z8A
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BU of 6z8a by Molmil
Outer membrane FoxA in complex with nocardamine
分子名称: (8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone, DIMETHYL SULFOXIDE, FE (III) ION, ...
著者Josts, I, Tidow, H.
登録日2020-06-02
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Nocardamine-Dependent Iron Uptake in Pseudomonas aeruginosa : Exclusive Involvement of the FoxA Outer Membrane Transporter.
Acs Chem.Biol., 15, 2020
7QNN
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BU of 7qnn by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant)
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate
著者Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M.
登録日2021-12-21
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
4FH0
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BU of 4fh0 by Molmil
Crystal Structure of Human BinCARD CARD, double mutant F16M/L66M SeMet form
分子名称: Bcl10-interacting CARD protein, SULFATE ION
著者Chen, K.-E, Kobe, B, Martin, J.L.
登録日2012-06-05
公開日2013-02-06
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The structure of the caspase recruitment domain of BinCARD reveals that all three cysteines can be oxidized.
Acta Crystallogr.,Sect.D, 69, 2013
4F67
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BU of 4f67 by Molmil
Three dimensional structure of the double mutant of UPF0176 protein lpg2838 from Legionella pneumophila at the resolution 1.8A, Northeast Structural Genomics Consortium (NESG) Target LgR82
分子名称: UPF0176 protein lpg2838
著者Kuzin, A, Neely, H, Street, L, Odukwe, N, Seetharaman, J, Mao, M, Xiao, R, Kohan, E, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2012-05-14
公開日2012-05-30
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Three dimensional structure of the double mutant of UPF0176 protein lpg2838 from Legionella pneumophila at the resolution 1.8A, Northeast Structural Genomics Consortium (NESG) Target LgR82
To be Published
4WEI
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BU of 4wei by Molmil
Crystal structure of the F4 fimbrial adhesin FaeG in complex with lactose
分子名称: K88 fimbrial protein AD, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Moonens, K, Van den Broeck, I, De Kerpel, M, Deboeck, F, Raymaekers, H, Remaut, H, De Greve, H.
登録日2014-09-10
公開日2015-02-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Functional Insight into the Carbohydrate Receptor Binding of F4 Fimbriae-producing Enterotoxigenic Escherichia coli.
J.Biol.Chem., 290, 2015
4FB4
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The Structure of an ABC-Transporter Family Protein from Rhodopseudomonas palustris in Complex with Caffeic Acid
分子名称: CAFFEIC ACID, GLYCEROL, Putative branched-chain amino acid transport system substrate-binding protein
著者Cuff, M.E, Mack, J.C, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-05-22
公開日2012-09-26
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Proteins, 81, 2013
6ZCO
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BU of 6zco by Molmil
Crystal Structure of C-terminal Dimerization Domain of Nucleocapsid Phosphoprotein from SARS-CoV-2, crystal form II
分子名称: Nucleoprotein
著者Zinzula, L, Basquin, J, Nagy, I, Bracher, A.
登録日2020-06-11
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.361 Å)
主引用文献High-resolution structure and biophysical characterization of the nucleocapsid phosphoprotein dimerization domain from the Covid-19 severe acute respiratory syndrome coronavirus 2.
Biochem.Biophys.Res.Commun., 538, 2021
4FCO
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Crystal structure of bace1 with its inhibitor
分子名称: Beta-secretase 1, N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide, SULFATE ION, ...
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2012-05-25
公開日2013-05-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations
To be Published, 2012
6ZCV
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Crystal structure of lanthanide-dependent alcohol dehydrogenase PedH from Pseudomonas putida KT2440
分子名称: CALCIUM ION, GLYCEROL, PRASEODYMIUM ION, ...
著者Bange, G, Lepak, A, Elsayed, E.M.
登録日2020-06-12
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineered PQQ-Dependent Alcohol Dehydrogenase for the Oxidation of 5-(Hydroxymethyl)furoic Acid
Acs Catalysis, 2020

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