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2ONB
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BU of 2onb by Molmil
Human Thymidylate Synthase at low salt conditions with PDPA bound
分子名称: 1,2-ETHANEDIOL, PROPANE-1,3-DIYLBIS(PHOSPHONIC ACID), SULFATE ION, ...
著者Lovelace, L.L, Gibson, L.M, Lebioda, L.
登録日2007-01-23
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cooperative Inhibition of Human Thymidylate Synthase by Mixtures of Active Site Binding and Allosteric Inhibitors
Biochemistry, 46, 2007
4H0G
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BU of 4h0g by Molmil
Crystal structure of mimicry-recognizing native 2D10 scFv
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2D10 scFv
著者Tapryal, S, Gaur, V, Kaur, K.J, Salunke, D.M.
登録日2012-09-08
公開日2013-06-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural evaluation of a mimicry-recognizing paratope: plasticity in antigen-antibody interactions manifests in molecular mimicry.
J.Immunol., 191, 2013
6GVH
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BU of 6gvh by Molmil
Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-4-chloro-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine
分子名称: 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F.
登録日2018-06-21
公開日2019-10-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
3PTK
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BU of 3ptk by Molmil
The crystal structure of rice (Oryza sativa L.) Os4BGlu12
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase Os4BGlu12, ZINC ION
著者Sansenya, S, Opassiri, R, Kuaprasert, B, Chen, C.J, Ketudat Cairns, J.R.
登録日2010-12-03
公開日2011-05-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献The crystal structure of rice (Oryza sativa L.) Os4BGlu12, an oligosaccharide and tuberonic acid glucoside-hydrolyzing beta-glucosidase with significant thioglucohydrolase activity
Arch.Biochem.Biophys., 510, 2011
5HC4
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BU of 5hc4 by Molmil
Structure of esterase Est22
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Lipolytic enzyme
著者Li, J, Huang, J.
登録日2016-01-04
公開日2017-01-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights of a hormone sensitive lipase homologue Est22.
Sci Rep, 6, 2016
7AFV
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BU of 7afv by Molmil
Crystal structure of tetrameric beta-2-microglobulin deltaN6 S52C stabilized by a covalent ligand
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide, Beta-2-microglobulin
著者Guthertz, N, Cawood, E, Karamanos, T.
登録日2020-09-20
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Modulation of Amyloidogenic Protein Self-Assembly Using Tethered Small Molecules.
J.Am.Chem.Soc., 142, 2020
3MBM
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BU of 3mbm by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine and FoL fragment 717, imidazo[2,1-b][1,3]thiazol-6-ylmethanol
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 6-AMINOPYRIMIDIN-2(1H)-ONE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-03-25
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
6GVG
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BU of 6gvg by Molmil
Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine
分子名称: 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F.
登録日2018-06-21
公開日2019-10-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
3O4D
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BU of 3o4d by Molmil
Crystal structure of Symfoil-4P: de novo designed beta-trefoil architecture with symmetric primary structure
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SULFATE ION, ...
著者Lee, J, Blaber, M.
登録日2010-07-26
公開日2010-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Experimental support for the evolution of symmetric protein architecture from a simple peptide motif.
Proc.Natl.Acad.Sci.USA, 108, 2011
1LIT
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BU of 1lit by Molmil
HUMAN LITHOSTATHINE
分子名称: LITHOSTATHINE
著者Bertrand, J.A, Pignol, D, Bernard, J.-P, Verdier, J.-M, Dagorn, J.-C, Fontacilla-Camps, J.C.
登録日1996-01-17
公開日1997-01-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of human lithostathine, the pancreatic inhibitor of stone formation.
EMBO J., 15, 1996
3NP3
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BU of 3np3 by Molmil
C112D/M121E Pseudomonas Aeruginosa Azurin
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
著者Lancaster, K.M, Gray, H.B.
登録日2010-06-27
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Outer-Sphere Effects on Reduction Potentials of Copper Sites in Proteins: The Curious Case of High Potential Type 2 C112D/M121E Pseudomonas aeruginosa Azurin.
J.Am.Chem.Soc., 132, 2010
4KSM
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BU of 4ksm by Molmil
Crystal structure of Escherichia coli glutraredoxin 2 C9S/C12S mutant without glutathione
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutaredoxin-2
著者Ye, J, Venkadesh, S, Rosen, B.P.
登録日2013-05-17
公開日2014-05-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of E.Coli glutaredoxin 2 with glutathione and of a mutant C9S/C12S without glutathione
To be Published
3ZKA
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BU of 3zka by Molmil
CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA D280N IN THE METAL-BOUND, OPEN STATE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
著者Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A.
登録日2013-01-22
公開日2013-11-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
7D3I
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BU of 7d3i by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with MI-23
分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase
著者Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J.
登録日2020-09-19
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
4KC8
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BU of 4kc8 by Molmil
Crystal Structure of Endo-1,5-alpha-L-arabinanase from Thermotoga petrophila RKU-1 in complex with TRIS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Glycoside hydrolase, ...
著者Nascimento, A.F.Z, Polo, C.C, Santos, C.R, Costa, M.C.M.F, Mesa, A.N, Prade, R.A, Ruller, R, Squina, F.M, Murakami, M.T.
登録日2013-04-24
公開日2014-02-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Mechanistic strategies for catalysis adopted by evolutionary distinct family 43 arabinanases.
J.Biol.Chem., 289, 2014
3QGV
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BU of 3qgv by Molmil
Crystal structure of a thermostable amylase variant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha amylase, CALCIUM ION, ...
著者Hein, K.L, Ganshaw, G, Bott, R, Nissen, P.
登録日2011-01-25
公開日2012-02-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of a highly mutated, thermostable xCExB1-amylase variant
To be Published
4J3K
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BU of 4j3k by Molmil
Structure of the N-terminal domian of human coronavirus OC43 nucleocapsid protein
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nucleoprotein
著者Chen, I.J, Lin, S.Y, Hou, M.H.
登録日2013-02-05
公開日2013-05-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure-based exploration of the important role of Arg106 in the RNA-binding domain of human coronavirus OC43 nucleocapsid protein
Biochim.Biophys.Acta, 1834, 2013
5VND
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BU of 5vnd by Molmil
Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to H3B-6527
分子名称: 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide, ...
著者Tsai, J.H.C, Reynolds, D, Fekkes, P, Smith, P, Larsen, N.A.
登録日2017-04-30
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献H3B-6527 Is a Potent and Selective Inhibitor of FGFR4 in FGF19-Driven Hepatocellular Carcinoma.
Cancer Res., 77, 2017
4I4P
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BU of 4i4p by Molmil
BEL beta-trefoil apo crystal form 2
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BEL-beta trefoil
著者Bovi, M, Cenci, L, Perduca, M, Capaldi, S, Carrizo, M.E, Civiero, L, Chiarelli, L.R, Galliano, M, Monaco, H.L.
登録日2012-11-28
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.279 Å)
主引用文献BEL {beta}-trefoil: A novel lectin with antineoplastic properties in king bolete (Boletus edulis) mushrooms.
Glycobiology, 23, 2013
4I4Y
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BU of 4i4y by Molmil
BEL beta-trefoil complex with T-Antigen
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BEL beta-trefoil, SERINE, ...
著者Bovi, M, Cenci, L, Perduca, M, Capaldi, S, Carrizo, M.E, Civiero, L, Chiarelli, L.R, Galliano, M, Monaco, H.L.
登録日2012-11-28
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献BEL {beta}-trefoil: A novel lectin with antineoplastic properties in king bolete (Boletus edulis) mushrooms.
Glycobiology, 23, 2013
3QOY
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BU of 3qoy by Molmil
Crystal structure of ribosomal protein L1 from Aquifex aeolicus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 50S ribosomal protein L1, ACETIC ACID, ...
著者Gabdulkhakov, A.G, Tishchenko, S.V, Nikonova, E.U, Shkliaeva, A.A, Garber, M.B, Nikonov, S.V, Nevskaya, N.A.
登録日2011-02-11
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Ribosomal Protein L1 from the Bacterium Aquifex Aeolicus
Crystallography Reports, 56, 2011
4KHA
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BU of 4kha by Molmil
Structural basis of histone H2A-H2B recognition by the essential chaperone FACT
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Histone H2A, ...
著者Hondele, M, Halbach, F, Hassler, M, Ladurner, A.G.
登録日2013-04-30
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis of histone H2A-H2B recognition by the essential chaperone FACT.
Nature, 499, 2013
4KTO
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BU of 4kto by Molmil
Crystal Structure Of a Putative Isovaleryl-CoA dehydrogenase (PSI-NYSGRC-012251) from Sinorhizobium meliloti 1021
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, isovaleryl-CoA dehydrogenase
著者Kumar, P.R, Ahmed, M, Attonito, J, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Glenn, A.S, Hammonds, J, Hillerich, B, Himmel, D, Love, J.D, Seidel, R, Stead, M, Toro, R, Wasserman, S.R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-05-20
公開日2013-06-19
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.137 Å)
主引用文献Crystal structure of a Putative Isovaleryl-CoA dehydrogenase from Sinorhizobium meliloti 1021
to be published
2QDY
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BU of 2qdy by Molmil
Crystal Structure of Fe-type NHase from Rhodococcus erythropolis AJ270
分子名称: 2-METHYLPROPAN-1-AMINE, CHLORIDE ION, FE (III) ION, ...
著者Song, L, Shi, J, Xue, Z, Wang, M.-X, Qian, S.
登録日2007-06-22
公開日2008-05-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High resolution X-ray molecular structure of the nitrile hydratase from Rhodococcus erythropolis AJ270 reveals posttranslational oxidation of two cysteines into sulfinic acids and a novel biocatalytic nitrile hydration mechanism
Biochem.Biophys.Res.Commun., 362, 2007
3QTY
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BU of 3qty by Molmil
Crystal structure of Phosphoribosylaminoimidazole Synthetase from Francisella tularensis complexed with pyrophosphate
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, PHOSPHATE ION, ...
著者Maltseva, N, Kim, Y, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-02-23
公開日2011-03-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Phosphoribosylaminoimidazole Synthetase from Francisella tularensis complexed with pyrophosphate
To be Published

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