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3TNZ
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BU of 3tnz by Molmil
Crystal structure of Mus musculus iodotyrosine deiodinase (IYD) C217A, C239A bound to FMN and mono-iodotyrosine (MIT)
分子名称: 3-IODO-TYROSINE, CITRATE ANION, FLAVIN MONONUCLEOTIDE, ...
著者Buss, J.M, McTamney, P.M, Rokita, S.E.
登録日2011-09-02
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Expression of a soluble form of iodotyrosine deiodinase for active site characterization by engineering the native membrane protein from Mus musculus.
Protein Sci., 21, 2012
4IM8
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BU of 4im8 by Molmil
low resolution crystal structure of mouse RAGE
分子名称: Advanced glycation end-products receptor
著者Xu, D, Young, J.H, Krahn, J.M, Song, D, Corbett, K.D, Chazin, W.J, Pedersen, L.C, Esko, J.D.
登録日2013-01-02
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.503 Å)
主引用文献Stable RAGE-Heparan Sulfate Complexes Are Essential for Signal Transduction.
Acs Chem.Biol., 8, 2013
3UAN
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BU of 3uan by Molmil
Crystal structure of 3-O-sulfotransferase (3-OST-1) with bound PAP and heptasaccharide substrate
分子名称: 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, ...
著者Moon, A.F, Xu, Y, Woody, S.M, Krahn, J.M, Linhardt, R.J, Liu, J, Pedersen, L.C.
登録日2011-10-21
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.844 Å)
主引用文献Dissecting the substrate recognition of 3-O-sulfotransferase for the biosynthesis of anticoagulant heparin.
Proc.Natl.Acad.Sci.USA, 109, 2012
4MDB
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BU of 4mdb by Molmil
Structure of Mos1 transposase catalytic domain and Raltegravir with Mg
分子名称: MAGNESIUM ION, Mariner Mos1 transposase, N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide
著者Richardson, J.M.
登録日2013-08-22
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Mos1 Transposase Inhibition by the Anti-retroviral Drug Raltegravir.
Acs Chem.Biol., 9, 2014
4LYJ
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BU of 4lyj by Molmil
Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C, alternative space group
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-07-31
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.927 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4LZG
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BU of 4lzg by Molmil
Binary complex of human DNA Polymerase Mu with DNA
分子名称: CHLORIDE ION, DNA-directed DNA/RNA polymerase mu, GLYCEROL, ...
著者Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
登録日2013-07-31
公開日2014-02-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Sustained active site rigidity during synthesis by human DNA polymerase mu.
Nat.Struct.Mol.Biol., 21, 2014
4MDA
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BU of 4mda by Molmil
Structure of Mos1 transposase catalytic domain and Raltegravir with Mn
分子名称: MANGANESE (II) ION, Mariner Mos1 transposase, N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide
著者Richardson, J.M.
登録日2013-08-22
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Mos1 Transposase Inhibition by the Anti-retroviral Drug Raltegravir.
Acs Chem.Biol., 9, 2014
4LV6
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BU of 4lv6 by Molmil
Crystal Structure of small molecule disulfide 4 covalently bound to K-Ras G12C
分子名称: 1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide, CALCIUM ION, GTPase KRas, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-07-26
公開日2013-11-27
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4M1O
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BU of 4m1o by Molmil
Crystal Structure of small molecule vinylsulfonamide 7 covalently bound to K-Ras G12C
分子名称: GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-08-03
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.571 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
3VBE
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BU of 3vbe by Molmil
Crystal structure of beta-cyanoalanine synthase in soybean
分子名称: PYRIDOXAL-5'-PHOSPHATE, beta-cyanoalnine synthase
著者Yi, H, Jez, J.M.
登録日2012-01-02
公開日2012-09-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Soybean beta-Cyanoalanine Synthase and the Molecular Basis for Cyanide Detoxification in Plants.
Plant Cell, 24, 2012
4M1U
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BU of 4m1u by Molmil
The crystal structure of Stx2 and a disaccharide ligand
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-4)-methyl beta-D-galactopyranoside, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Shiga toxin 2 A-subunit, ...
著者Yin, J, James, M.N.G, Jacobson, J.M, Kitov, P.I, Bundle, D.R, Mulvey, G, Armstrong, G.
登録日2013-08-04
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献The crystal structure of shiga toxin type 2 with bound disaccharide guides the design of a heterobifunctional toxin inhibitor.
J.Biol.Chem., 289, 2014
4MAF
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BU of 4maf by Molmil
Soybean ATP Sulfurylase
分子名称: ADENOSINE-5'-PHOSPHOSULFATE, ATP sulfurylase
著者Herrmann, J, Ravilious, G.E, McKinney, S.E, Westfall, C.S, Lee, S.G, Krishnan, H.B, Jez, J.M.
登録日2013-08-16
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure and mechanism of soybean ATP sulfurylase and the committed step in plant sulfur assimilation.
J.Biol.Chem., 289, 2014
3VJF
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BU of 3vjf by Molmil
Crystal structure of de novo 4-helix bundle protein WA20
分子名称: POTASSIUM ION, WA20
著者Arai, R, Kimura, A, Kobayashi, N, Matsuo, K, Sato, T, Wang, A.F, Platt, J.M, Bradley, L.H, Hecht, M.H.
登録日2011-10-18
公開日2012-03-28
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Domain-swapped dimeric structure of a stable and functional de novo four-helix bundle protein, WA20
J.Phys.Chem.B, 116, 2012
4LXA
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BU of 4lxa by Molmil
Crystal Structure of Human Beta Secretase in Complex with Compound 11a
分子名称: (1R,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide, Beta-secretase 1, GLYCEROL, ...
著者Rondeau, J.M, Bourgier, E.
登録日2013-07-29
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides.
Bioorg.Med.Chem.Lett., 23, 2013
4LXV
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BU of 4lxv by Molmil
Crystal Structure of the Hemagglutinin from a H1N1pdm A/WASHINGTON/5/2011 virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
著者Yang, H, Chang, J.C, Guo, Z, Carney, P.J, Shore, D.A, Donis, R.O, Cox, N.J, Villanueva, J.M, Klimov, A.I, Stevens, J.
登録日2013-07-30
公開日2014-02-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Stability of Influenza A(H1N1)pdm09 Virus Hemagglutinins.
J.Virol., 88, 2014
4M0A
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BU of 4m0a by Molmil
Human DNA Polymerase Mu post-catalytic complex
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA-directed DNA/RNA polymerase mu, ...
著者Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
登録日2013-08-01
公開日2014-02-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Sustained active site rigidity during synthesis by human DNA polymerase mu.
Nat.Struct.Mol.Biol., 21, 2014
4LYF
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BU of 4lyf by Molmil
Crystal Structure of small molecule vinylsulfonamide 8 covalently bound to K-Ras G12C
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-07-31
公開日2013-11-27
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.568 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4M21
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BU of 4m21 by Molmil
Crystal Structure of small molecule acrylamide 11 covalently bound to K-Ras G12C
分子名称: 1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one, GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-08-05
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
3TMA
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BU of 3tma by Molmil
Crystal structure of TrmN from Thermus thermophilus
分子名称: PHOSPHATE ION, methyltransferase
著者Fislage, M, Roovers, M, Tuszynska, I, Bujnicki, J.M, Droogmans, L, Versees, W.
登録日2011-08-31
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of the tRNA:m2G6 methyltransferase Trm14/TrmN from two domains of life.
Nucleic Acids Res., 40, 2012
3WR5
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BU of 3wr5 by Molmil
Structural basis on the efficient CO2 reduction of acidophilic formate dehydrogenase
分子名称: Formate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Ha, J.M, Jeon, S.T, Yoon, H.J, Lee, H.H.
登録日2014-02-16
公開日2015-02-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.142 Å)
主引用文献Structural basis on the efficient CO2 reduction of acidophilic formate dehydrogenase
To be Published
3ZCU
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BU of 3zcu by Molmil
Rabbit muscle glycogen phosphorylase b in complex with N-(pyridyl-2- carbonyl)-N-beta-D-glucopyranosyl urea determined at 2.05 A resolution
分子名称: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, ...
著者Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L.
登録日2012-11-21
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents
To be Published
3ZCP
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BU of 3zcp by Molmil
Rabbit muscle glycogen phosphorylase b in complex with N- cyclohexancarbonyl-N-beta-D-glucopyranosyl urea determined at 1.83 A resolution
分子名称: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, ...
著者Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L.
登録日2012-11-21
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents
To be Published
3ZJ2
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BU of 3zj2 by Molmil
Structure of Nab2p tandem zinc finger 34
分子名称: NUCLEAR POLYADENYLATED RNA-BINDING PROTEIN NAB2, ZINC ION
著者Martinez-Lumbreras, S, Santiveri, C.M, Mirassou, Y, Zorrilla, S, Perez-Canadillas, J.M.
登録日2013-01-16
公開日2013-09-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Two Singular Types of Ccch Tandem Zinc Finger in Nab2P Contribute to Polyadenosine RNA Recognition.
Structure, 21, 2013
3ZGQ
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BU of 3zgq by Molmil
Crystal structure of human interferon-induced protein IFIT5
分子名称: DI(HYDROXYETHYL)ETHER, INTERFERON-INDUCED PROTEIN WITH TETRATRICOPEPTIDE REPEATS 5
著者Katibah, G.E, Lee, H.J, Huizar, J.P, Vogan, J.M, Alber, T, Collins, K.
登録日2012-12-19
公開日2013-01-23
最終更新日2013-03-06
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献TRNA Binding, Structure, and Localization of the Human Interferon-Induced Protein Ifit5.
Mol.Cell, 49, 2013
3ZOT
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BU of 3zot by Molmil
Structure of E.coli rhomboid protease GlpG in complex with monobactam L29 (data set 2)
分子名称: CHLORIDE ION, RHOMBOID PROTEASE GLPG, nonyl beta-D-glucopyranoside, ...
著者Vinothkumar, K.R, Pierrat, O.A, Large, J.M, Freeman, M.
登録日2013-02-24
公開日2013-05-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Structure of Rhomboid Protease in Complex with Beta-Lactam Inhibitors Defines the S2' Cavity.
Structure, 21, 2013

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