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4RYA
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BU of 4rya by Molmil
Crystal structure of abc transporter solute binding protein AVI_3567 from AGROBACTERIUM VITIS S4, TARGET EFI-510645, with bound D-mannitol
分子名称: ABC transporter substrate binding protein (Sorbitol), ACETATE ION, D-MANNITOL
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-13
公開日2014-12-24
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Periplasmic Solute-Binding Protein Avi_3567 from Agrobacterium Vitis, Target Efi-510645
To be Published
7KCW
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BU of 7kcw by Molmil
Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L) in complex with nafcillin
分子名称: (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ...
著者Alexander, J.A, Strynadka, N.C.
登録日2020-10-07
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus.
J.Antimicrob.Chemother., 76, 2021
4S3S
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BU of 4s3s by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92K/V23A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Sue, G, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2015-06-19
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Buried ionizable residues
To be Published
4RK4
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BU of 4rk4 by Molmil
Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound glucose
分子名称: SODIUM ION, Transcriptional regulator, LacI family, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-11
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Crystal Structure of LacI Transcriptional Regulator Lsei_2103 from Lactobacillus casei, Target EFI-512911
To be Published
4S0T
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BU of 4s0t by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND WITH ADNECTIN-1 AND COMPOUND-1
分子名称: Adnectin-1, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2
著者Khan, J.A, Camac, D.M.
登録日2015-01-05
公開日2015-02-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR.
J.Mol.Biol., 427, 2015
4RK6
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BU of 4rk6 by Molmil
Crystal structure of LacI family transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926, with bound glucose
分子名称: Glucose-resistance amylase regulator, alpha-D-glucopyranose
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-11
公開日2014-10-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926
To be Published
4RKE
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BU of 4rke by Molmil
Drosophila melanogaster Rab2 bound to GMPPNP
分子名称: GH01619p, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Lardong, J.A, Driller, J.H, Depner, H, Weise, C, Petzoldt, A, Wahl, M.C, Sigrist, S.J, Loll, B.
登録日2014-10-13
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.0006 Å)
主引用文献Structures of Drosophila melanogaster Rab2 and Rab3 bound to GMPPNP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4RSN
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BU of 4rsn by Molmil
Crystal structure of the E267V mutant of cytochrome P450 BM3
分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Zhou, W.H, Zhang, A.L, Zhang, T, Ren, X.K, Yorke, J.A, Taylor, A, Wong, L.-L.
登録日2014-11-09
公開日2015-12-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Expanding the drug metabolism function of P450BM3
To be Published
4RK0
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BU of 4rk0 by Molmil
Crystal structure of LacI family transcriptional regulator from Enterococcus faecalis V583, Target EFI-512923, with bound ribose
分子名称: LacI family sugar-binding transcriptional regulator, alpha-D-ribofuranose
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-11
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of LacI Transcriptional Regulator Ef_2962 from Enterococcus faecalis V583, Target EFI-512923
To be Published
4TPO
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BU of 4tpo by Molmil
High-resolution structure of TxtE with bound tryptophan substrate
分子名称: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like protein, ...
著者Cahn, J.K.B, Dodani, S.C, Brinkmann-Chen, S, Heinsich, T, McIntosh, J.A, Arnold, F.H.
登録日2014-06-08
公開日2014-09-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.225 Å)
主引用文献Structural, Functional, and Spectroscopic Characterization of the Substrate Scope of the Novel Nitrating Cytochrome P450 TxtE.
Chembiochem, 15, 2014
4RJZ
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BU of 4rjz by Molmil
Crystal structure of ATU4361 sugar transporter from Agrobacterium fabrum C58, target EFI-510558, an open conformation
分子名称: ABC transporter, substrate binding protein (Sugar), CHLORIDE ION, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-11
公開日2014-11-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Crystal Structure of Maltoside Transporter ATU4361 from Agrobacterium Fabrum, Target EFI-510558
To be Published
4RXM
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BU of 4rxm by Molmil
Crystal structure of periplasmic ABC transporter solute binding protein A7JW62 from Mannheimia haemolytica PHL213, Target EFI-511105, in complex with Myo-inositol
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, ASPARTIC ACID, CHLORIDE ION, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-11
公開日2014-12-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of solute binding sugar transporter A7JW62 from Mannheimia haemolytica, Target EFI-511105.
To be Published
4RKB
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BU of 4rkb by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V66T/V99T at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B.
登録日2014-10-12
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Cavities in proteins
to be published
1H1Q
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BU of 1h1q by Molmil
Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6094
分子名称: 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
著者Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N.
登録日2002-07-21
公開日2002-09-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor
Nat.Struct.Biol., 9, 2002
4S0S
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BU of 4s0s by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN with ADNECTIN-1
分子名称: Adnectin-1, Nuclear receptor subfamily 1 group I member 2
著者Khan, J.A.
登録日2015-01-05
公開日2015-02-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR.
J.Mol.Biol., 427, 2015
4SKN
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BU of 4skn by Molmil
A NUCLEOTIDE-FLIPPING MECHANISM FROM THE STRUCTURE OF HUMAN URACIL-DNA GLYCOSYLASE BOUND TO DNA
分子名称: DNA (5'-D(*AP*AP*AP*GP*CP*CP*GP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*(D1P)P*GP*GP*CP*TP*T)-3'), PROTEIN (URACIL-DNA GLYCOSYLASE), ...
著者Slupphaug, G, Mol, C.D, Kavli, B, Arvai, A.S, Krokan, H.E, Tainer, J.A.
登録日1999-02-20
公開日1999-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A nucleotide-flipping mechanism from the structure of human uracil-DNA glycosylase bound to DNA.
Nature, 384, 1996
4RK5
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BU of 4rk5 by Molmil
Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound sucrose
分子名称: ACETATE ION, SODIUM ION, Transcriptional regulator, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-11
公開日2014-11-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structure of LacI Transcriptional Regulator Lsei_2103 from Lactobacillus casei, Target EFI-512911
To be Published
4RKQ
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BU of 4rkq by Molmil
Crystal structure of LacI family transcriptional regulator from Arthrobacter sp. FB24, target EFI-560007
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-13
公開日2014-11-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Crystal Structure of LacI Transcriptional Regulator PurR from Arthrobacter Sp, Target Nysgxrc 11027R
To be Published
4RQV
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BU of 4rqv by Molmil
Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS2
分子名称: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Rettenmaier, T.J, Wells, J.A.
登録日2014-11-05
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RY0
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BU of 4ry0 by Molmil
Crystal structure of ribose transporter solute binding protein RHE_PF00037 from Rhizobium etli CFN 42, TARGET EFI-511357, in complex with D-ribose
分子名称: CALCIUM ION, CHLORIDE ION, Probable ribose ABC transporter, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-12
公開日2014-12-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of Ribose Transporter Solute Binding Protein from Rhizobium Etly, Target Efi-511357
To be Published
4TPN
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BU of 4tpn by Molmil
High-resolution structure of TxtE in the absence of substrate
分子名称: GLYCEROL, LITHIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Cahn, J.K.B, Dodani, S.C, Brinkmann-Chen, S, Heinsich, T, McIntosh, J.A, Arnold, F.H.
登録日2014-06-08
公開日2014-09-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structural, Functional, and Spectroscopic Characterization of the Substrate Scope of the Novel Nitrating Cytochrome P450 TxtE.
Chembiochem, 15, 2014
4RK7
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BU of 4rk7 by Molmil
Crystal structure of LacI family transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926, with bound sucrose
分子名称: Glucose-resistance amylase regulator, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-11
公開日2014-10-29
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 transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926
To be Published
4RQK
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BU of 4rqk by Molmil
Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS1
分子名称: 3-phosphoinositide-dependent protein kinase 1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Rettenmaier, T.J, Wells, J.A.
登録日2014-11-03
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RXT
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BU of 4rxt by Molmil
Crystal structure of carbohydrate transporter solute binding protein Arad_9553 from Agrobacterium Radiobacter, Target EFI-511541, in complex with D-arabinose
分子名称: Sugar ABC transporter, alpha-L-arabinopyranose
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-11
公開日2014-12-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structure of Sugar Binding Transporter Arad_9553 from Agrobacterium Radiobacter, Target Efi-511541
To be Published
4RK2
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Crystal structure of sugar transporter RHE_PF00321 from Rhizobium etli, target EFI-510806, an open conformation
分子名称: ACETATE ION, CHLORIDE ION, Putative sugar ABC transporter, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-11
公開日2014-11-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Sugar Transporter RHE_Pf00321 from Rhizobium Etli, Target EFI-510806
To be Published

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