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5F01
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CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-N-(3-chloroquinolin-8-yl)cyclopropanecarboxamide
分子名称: (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide, ACETATE ION, Beta-secretase 1, ...
著者Banner, D, Benz, J, Stihle, M, Kuglstatter, A.
登録日2015-11-27
公開日2016-02-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
3O2V
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Crystal structure of 1E9 PheL89Ser/LeuH47Trp/MetH100bPhe, an engineered Diels-Alderase Fab with modified specificity and catalytic activity
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, Chimeric antibody Fab 1E9, ...
著者Verdino, P, Wilson, I.A.
登録日2010-07-22
公開日2011-07-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of 1E9 PheL89Ser/LeuH47Trp/MetH100bPhe, an engineered Diels-Alderase Fab with modified specificity and catalytic activity
To be Published
4GQQ
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BU of 4gqq by Molmil
Human pancreatic alpha-amylase with bound ethyl caffeate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Williams, L.K, Brayer, G.D.
登録日2012-08-23
公開日2012-10-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Order and disorder: differential structural impacts of myricetin and ethyl caffeate on human amylase, an antidiabetic target.
J.Med.Chem., 55, 2012
3NP4
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BU of 3np4 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 (2.25 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
3O2W
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Crystal structure of the 1E9 PheL89Ser/LeuH47Trp/MetH100bPhe Fab in complex with a 39A11 transition state analog
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, Chimeric antibody Fab 1E9, ...
著者Verdino, P, Wilson, I.A.
登録日2010-07-22
公開日2011-07-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of the 1E9 PheL89Ser/LeuH47Trp/MetH100bPhe Fab in complex with a 39A11 transition state analog
To be Published
3O49
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Crystal structure of Symfoil-1: de novo designed beta-trefoil architecture with symmetric primary structure
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, de novo designed beta-trefoil architecture with symmetric primary structure
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 (1.45 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
5BYZ
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BU of 5byz by Molmil
ERK5 in complex with small molecule
分子名称: 4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)-N-[2-(piperidin-1-yl)ethyl]benzamide, GLYCEROL, Mitogen-activated protein kinase 7
著者Chen, H, Tucker, J, Wang, X, Gavine, P.R, Philips, C, Augustin, M.A, Schreiner, P, Steinbacher, S, Preston, M, Ogg, D.
登録日2015-06-11
公開日2016-05-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
3P6I
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BU of 3p6i by Molmil
Crystal structure of Symfoil-4T Permutation #2: de novo designed beta-trefoil architecture with symmetric primary structure
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, de novo designed beta-trefoil architecture with symmetric primary structure
著者Blaber, M, Lee, J.
登録日2010-10-11
公開日2011-10-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Permutations study of de novo designed symmetric beta-trefoil architecture
To be Published
3OQR
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BU of 3oqr by Molmil
C112D/M121E Azurin, pH 10.0
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2010-09-03
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 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
3OQ2
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BU of 3oq2 by Molmil
Structure of a CRISPR associated protein Cas2 from Desulfovibrio vulgaris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, CITRIC ACID, ...
著者Samai, P, Smith, P, Shuman, S.
登録日2010-09-02
公開日2010-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of a CRISPR-associated protein Cas2 from Desulfovibrio vulgaris.
Acta Crystallogr.,Sect.F, 66, 2010
2BP2
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BU of 2bp2 by Molmil
THE STRUCTURE OF BOVINE PANCREATIC PROPHOSPHOLIPASE A2 AT 3.0 ANGSTROMS RESOLUTION
分子名称: PHOSPHOLIPASE A2
著者Dijkstra, B.W, Vannes, G.J.H, Kalk, K.H, Brandenburg, N.P, Hol, W.G.J, Drenth, J.
登録日1981-06-05
公開日1981-07-16
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Structure of Bovine Pancreatic Prophospholipase A2 at 3.0 Angstroms Resolution
Acta Crystallogr.,Sect.B, 38, 1982
4JL0
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BU of 4jl0 by Molmil
Crystal structure of PcrH in complex with the chaperone binding region of PopB
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PopB, Regulatory protein PcrH
著者Discola, K.F, Forster, A, Simorre, J.P, Attree, I, Dessen, A, Job, V.
登録日2013-03-12
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Membrane and Chaperone Recognition by the Major Translocator Protein PopB of the Type III Secretion System of Pseudomonas aeruginosa.
J.Biol.Chem., 289, 2014
3MSU
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BU of 3msu by Molmil
Crystal Structure of Citrate Synthase from Francisella tularensis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, CHLORIDE 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2010-04-29
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.843 Å)
主引用文献Crystal Structure of Citrate Synthase from Francisella tularensis
To be Published
5FTW
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BU of 5ftw by Molmil
Crystal structure of glutamate O-methyltransferase in complex with S- adenosyl-L-homocysteine (SAH) from Bacillus subtilis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHEMOTAXIS PROTEIN METHYLTRANSFERASE, GLYCEROL, ...
著者Sharma, R, Dhindwal, S, Batra, M, Aggarwal, M, Kumar, P, Tomar, S.
登録日2016-01-18
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Pentapeptide-Independent Chemotaxis Receptor Methyltransferase (Cher) Reveals Idiosyncratic Structural Determinants for Receptor Recognition.
J.Struct.Biol., 196, 2016
3ZK8
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BU of 3zk8 by Molmil
CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA E205Q IN THE METAL-FREE, OPEN STATE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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 (1.65 Å)
主引用文献Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
3ZK9
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CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA D280N IN THE METAL-FREE, OPEN STATE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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 (1.45 Å)
主引用文献Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
3M84
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BU of 3m84 by Molmil
Crystal Structure of Phosphoribosylaminoimidazole Synthetase from Francisella tularensis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ADENOSINE MONOPHOSPHATE, ...
著者Maltseva, N, Kim, Y, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-03-17
公開日2010-07-14
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Crystal Structure of Phosphoribosylaminoimidazole Synthetase from Francisella tularensis
To be Published
6GVF
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BU of 6gvf by Molmil
Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine
分子名称: 5-(4-azanyl-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 (2.5 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
5FL5
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BU of 5fl5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE IX, ...
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-10-21
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
5GK7
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BU of 5gk7 by Molmil
Structure of E.Coli fructose 1,6-bisphosphate aldolase bound to Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Fructose-bisphosphate aldolase class 2, ...
著者Tran, T.H, Huynh, K.H, Ho, T.H, Kang, L.W.
登録日2016-07-03
公開日2017-07-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of E.Coli fructose 1,6-bisphosphate aldolase, Tris bound form
To Be Published
4GO8
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BU of 4go8 by Molmil
Crystal Structure of the TREHALULOSE SYNTHASE MUTB, MUTANT A258V, in complex with TRIS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Sucrose isomerase
著者Lipski, A, Haser, R, Aghajari, N.
登録日2012-08-19
公開日2013-08-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of MUTB A258V mutant in complex with TRIS
To be Published, 2013
4I4V
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BU of 4i4v by Molmil
BEL beta-trefoil complex with N-acetylgalactosamine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, 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2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献BEL {beta}-trefoil: A novel lectin with antineoplastic properties in king bolete (Boletus edulis) mushrooms.
Glycobiology, 23, 2013
6GVI
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Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
分子名称: 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine, 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 (2.9 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
3ZK7
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BU of 3zk7 by Molmil
CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA IN THE METAL-FREE, OPEN STATE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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 (1.69 Å)
主引用文献Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
4GYM
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BU of 4gym by Molmil
Crystal structure of Glyoxalase/bleomycin resistance protein/dioxygenase from Conexibacter woesei DSM 14684
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glyoxalase/bleomycin resistance protein/dioxygenase, POTASSIUM ION, ...
著者Chang, C, Tesar, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-09-05
公開日2012-09-26
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of Glyoxalase/bleomycin resistance protein/dioxygenase from Conexibacter woesei DSM 14684
To be Published

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