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4X4A
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BU of 4x4a by Molmil
Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with 2,7-Anhydro-Neu5Ac
分子名称: 2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-5-CARBOXYLIC ACID, ACETYL GROUP, Anhydrosialidase, ...
著者Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
登録日2014-12-02
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation.
Nat Commun, 6, 2015
4LRA
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BU of 4lra by Molmil
Phosphopentomutase S154G variant
分子名称: GLYCEROL, MANGANESE (II) ION, Phosphopentomutase
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
4LV7
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BU of 4lv7 by Molmil
Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase E82C/S142C
分子名称: ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ...
著者Gosein, V, Miller, G.J.
登録日2013-07-26
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Conformational stability of inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1) dictates its substrate selectivity.
J. Biol. Chem., 288, 2013
4PMA
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BU of 4pma by Molmil
Crystal structure of CTX-M-14 S70G:S237A:R276A beta-lactamase at 1.39 Angstroms resolution
分子名称: Beta-lactamase CTX-M-14, SULFATE ION
著者Cardenas, A.M, Adamski, C.J, Brown, N.G, Horton, L.B, Sankaran, B, Palzkill, T.
登録日2014-05-20
公開日2014-12-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
2J6R
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BU of 2j6r by Molmil
FaeG from F4ac ETEC strain GIS26, produced in tobacco plant chloroplast
分子名称: K88 FIMBRIAL PROTEIN, PHOSPHATE ION
著者Van Molle, I, Joensuu, J.J, Buts, L, Panjikar, S, Kotiaho, M, Bouckaert, J, Wyns, L, Niklander-Teeri, V, De Greve, H.
登録日2006-10-03
公開日2007-04-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Chloroplasts Assemble the Major Subunit Faeg of Escherichia Coli F4 (K88) Fimbriae Into Strand-Swapped Dimers
J.Mol.Biol., 368, 2007
4P9Z
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BU of 4p9z by Molmil
Grb2 SH2 complexed with a pTyr-Ac6c-Asn tripeptide
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Clements, J.H, Martin, S.F.
登録日2014-04-06
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protein-ligand interactions: Probing the energetics of a putative cation-pi interaction.
Bioorg.Med.Chem.Lett., 24, 2014
4LRD
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BU of 4lrd by Molmil
Phosphopentomutase 4H11 variant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MANGANESE (II) ION, ...
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
6ASC
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BU of 6asc by Molmil
Mre11 dimer in complex with Endonuclease inhibitor PFM04
分子名称: (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, MANGANESE (II) ION, ...
著者Moiani, D, Arvai, A.S, Tainer, J.A.
登録日2017-08-24
公開日2018-03-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Targeting Allostery with Avatars to Design Inhibitors Assessed by Cell Activity: Dissecting MRE11 Endo- and Exonuclease Activities.
Meth. Enzymol., 601, 2018
4Q71
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BU of 4q71 by Molmil
Crystal Structure of Bradyrhizobium japonicum Proline Utilization A (PutA) Mutant D779W
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Proline dehydrogenase, ...
著者Tanner, J.J, Luo, M, Pemberton, T.A.
登録日2014-04-23
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Kinetic and Structural Characterization of Tunnel-Perturbing Mutants in Bradyrhizobium japonicum Proline Utilization A.
Biochemistry, 53, 2014
2IIV
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BU of 2iiv by Molmil
Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
分子名称: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Weber, A.E, Biftu, T.
登録日2006-09-28
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
2IOH
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BU of 2ioh by Molmil
Crystal structure of phosphonoacetaldehyde hydrolase with a K53R mutation
分子名称: MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase
著者Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Peisach, E.
登録日2006-10-10
公開日2007-08-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage.
Bioorg.Chem., 34, 2006
4LRC
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BU of 4lrc by Molmil
Phosphopentomutase V158L variant
分子名称: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
4LR7
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BU of 4lr7 by Molmil
Phosphopentomutase S154A variant
分子名称: GLYCEROL, MANGANESE (II) ION, Phosphopentomutase
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
4LUZ
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BU of 4luz by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-25
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
4LW1
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BU of 4lw1 by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-26
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
4LWC
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BU of 4lwc by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-26
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
7KQV
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BU of 7kqv by Molmil
Crystal Structure of aldehyde dehydrogenase (ChALDH) from Cladosporium herbarum
分子名称: Aldehyde dehydrogenase
著者Lee, S.G, Jez, J.M.
登録日2020-11-17
公開日2021-11-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Biochemical and clinical studies of putative allergens to assess what distinguishes them from other non-allergenic proteins in the same family.
Transgenic Res, 31, 2022
4Q72
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BU of 4q72 by Molmil
Crystal Structure of Bradyrhizobium japonicum Proline Utilization A (PutA) Mutant D779Y
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Proline dehydrogenase, ...
著者Tanner, J.J, Pemberton, T.A, Luo, M.
登録日2014-04-23
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Kinetic and Structural Characterization of Tunnel-Perturbing Mutants in Bradyrhizobium japonicum Proline Utilization A.
Biochemistry, 53, 2014
2IIT
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BU of 2iit by Molmil
Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
分子名称: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Biftu, T, Weber, A.E.
登録日2006-09-28
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
2KMS
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BU of 2kms by Molmil
Combined high- and low-resolution techniques reveal compact structure in central portion of factor H despite long inter-modular linkers
分子名称: Complement factor H
著者Schmidt, C.Q, Herbert, A.P, Guariento, M, Mertens, H.D.T, Soares, D.C, Uhrin, D, Rowe, A.J, Svergun, D.I, Barlow, P.N.
登録日2009-08-04
公開日2009-11-03
最終更新日2020-02-26
実験手法SOLUTION NMR
主引用文献The Central Portion of Factor H (Modules 10-15) Is Compact and Contains a Structurally Deviant CCP Module
J.Mol.Biol., 395, 2010
2KDQ
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BU of 2kdq by Molmil
Simultaneous recognition of HIV-1 TAR RNA bulge and loop sequences by cyclic peptide mimic of Tat protein
分子名称: HIV-1 TAR RNA, L-22 CYCLIC PEPTIDE
著者Davidson, A, Leeper, T.C, Varani, G.
登録日2009-01-14
公開日2009-06-23
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Simultaneous recognition of HIV-1 TAR RNA bulge and loop sequences by cyclic peptide mimics of Tat protein
Proc.Natl.Acad.Sci.USA, 106, 2009
4QKR
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BU of 4qkr by Molmil
Crystal Structure of 6xTyr/PV2: de novo designed beta-trefoil architecture with symmetric primary structure (L22Y/L44Y/L64Y/L85Y/L108Y/L132Y, Primitive Version 2)
分子名称: DE NOVO PROTEIN 6XTYR/PV2, IMIDAZOLE
著者Longo, L.M, Blaber, M, Tenorio, C.A.
登録日2014-06-09
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献A single aromatic core mutation converts a designed "primitive" protein from halophile to mesophile folding.
Protein Sci., 24, 2015
2J6G
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BU of 2j6g by Molmil
FaeG from F4ac ETEC strain 5_95, produced in tobacco plant chloroplast
分子名称: ACETATE ION, FAEG
著者Van Molle, I, Joensuu, J.J, Buts, L, Panjikar, S, Kotiaho, M, Bouckaert, J, Wyns, L, Niklander-Teeri, V, De Greve, H.
登録日2006-09-28
公開日2007-04-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Chloroplasts Assemble the Major Subunit Faeg of Escherichia Coli F4 (K88) Fimbriae Into Strand-Swapped Dimers
J.Mol.Biol., 368, 2007
4PM8
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BU of 4pm8 by Molmil
Crystal structure of CTX-M-14 S70G:S237A beta-lactamase at 1.17 Angstroms resolution
分子名称: Beta-lactamase CTX-M-14, SULFATE ION
著者Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T.
登録日2014-05-20
公開日2014-12-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.169 Å)
主引用文献Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
2HDQ
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BU of 2hdq by Molmil
AmpC beta-lactamase in complex with 2-carboxythiophene
分子名称: Beta-lactamase, THIOPHENE-2-CARBOXYLIC ACID
著者Babaoglu, K, Shoichet, B.K.
登録日2006-06-20
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006

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