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6JN7
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Structure of H216A mutant closed form peptidoglycan peptidase
分子名称: D(-)-TARTARIC ACID, Peptidase M23, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
1FCK
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BU of 1fck by Molmil
STRUCTURE OF DICERIC HUMAN LACTOFERRIN
分子名称: CARBONATE ION, CERIUM (III) ION, LACTOFERRIN
著者Baker, H.M, Baker, C.J, Smith, C.A, Baker, E.N.
登録日2000-07-18
公開日2001-01-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Metal substitution in transferrins: specific binding of cerium(IV) revealed by the crystal structure of cerium-substituted human lactoferrin.
J.Biol.Inorg.Chem., 5, 2000
6MJM
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BU of 6mjm by Molmil
Substrate Free Cytochrome P450 3A5 (CYP3A5)
分子名称: Cytochrome P450 3A5, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Hsu, M.H, Johnson, E.F.
登録日2018-09-21
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Active-site differences between substrate-free and ritonavir-bound cytochrome P450 (CYP) 3A5 reveal plasticity differences between CYP3A5 and CYP3A4.
J.Biol.Chem., 294, 2019
6N9J
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BU of 6n9j by Molmil
X-ray structure of a secreted C11 cysteine protease from Bacteroides thetaiotaomicron in complex with an irreversible peptide inhibitor
分子名称: Clostripain-related protein, Covalently bound peptide inhibitor
著者Wolan, D.W, Gonzalez-Paez, G.E, Roncase, E.J.
登録日2018-12-03
公開日2019-12-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献X-ray Structures of Two Bacteroides thetaiotaomicron C11 Proteases in Complex with Peptide-Based Inhibitors.
Biochemistry, 58, 2019
6JMY
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BU of 6jmy by Molmil
Structure of wild type closed form of peptidoglycan peptidase
分子名称: CITRIC ACID, Peptidase M23, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-03-13
公開日2020-01-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.661 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
3OWP
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BU of 3owp by Molmil
Human cAMP-dependent protein kinase in complex with an inhibitor
分子名称: (2S)-2-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Koester, H, Heine, A, Klebe, G.
登録日2010-09-20
公開日2011-09-21
最終更新日2013-03-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献fragment based drug design on PKA
To be Published
4R2E
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BU of 4r2e by Molmil
Wilms Tumor Protein (WT1) zinc fingers in complex with methylated DNA
分子名称: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), Wilms tumor protein, ...
著者Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X.
登録日2014-08-11
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence.
Genes Dev., 28, 2014
6JIC
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Identification and Characterization of a carboxypeptidase inhibitor from Lycium barbarum
分子名称: WCI
著者Tan, W.L, Wong, K.H, Huang, J.Y, Tay, S.V, Wang, S.J.
登録日2019-02-20
公開日2020-02-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Identification and characterization of a wolfberry carboxypeptidase inhibitor from Lycium barbarum.
Food Chem, 351, 2021
6HGN
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Crystal structure of Alpha1-antichymotrypsin variant DBS-II-allo-L55V: an allosterically controlled doxorubicin-binding serpin with an unprecedentedly high ligand release efficacy
分子名称: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin
著者Schmidt, K, Muller, Y.A.
登録日2018-08-23
公開日2019-05-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.478 Å)
主引用文献NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
6HMW
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BU of 6hmw by Molmil
Cholera toxin classical B-pentamer in complex with fucose
分子名称: BICINE, CALCIUM ION, Cholera enterotoxin B-subunit, ...
著者Krengel, U, Heim, J.B.
登録日2018-09-13
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of cholera toxin in complex with fucosylated receptors point to importance of secondary binding site.
Sci Rep, 9, 2019
3OLL
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BU of 3oll by Molmil
Crystal structure of phosphorylated estrogen receptor beta ligand binding domain
分子名称: ESTRADIOL, Estrogen receptor beta, Nuclear receptor coactivator 1
著者Moecklinghoff, S, Rose, R, Ottmann, C, Brunsveld, L.
登録日2010-08-26
公開日2010-11-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Synthesis and crystal structure of a phosphorylated estrogen receptor ligand binding domain.
Chembiochem, 11, 2010
3OMP
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BU of 3omp by Molmil
Fragment-Based Design of novel Estrogen Receptor Ligands
分子名称: 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
著者Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
登録日2010-08-27
公開日2011-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
3OVV
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BU of 3ovv by Molmil
Human cAMP-dependent protein kinase in complex with an inhibitor
分子名称: (2S,3S)-butane-2,3-diol, N'-[(1E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Koester, H, Heine, A, Klebe, G.
登録日2010-09-17
公開日2011-09-21
最終更新日2013-03-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献fragment based drug design on PKA
To be Published
8AIK
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BU of 8aik by Molmil
Crystal structure of DltE from L. plantarum, tartare bound form
分子名称: Beta-lactamase family protein, L(+)-TARTARIC ACID
著者Ravaud, S, Nikolopoulos, N, Grangeasse, C.
登録日2022-07-26
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth.
Elife, 12, 2023
8AJI
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BU of 8aji by Molmil
Crystal structure of DltE from L. plantarum, TCEP form
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, Beta-lactamase family protein, GLYCEROL, ...
著者Ravaud, S, Nikolopoulos, N, Grangeasse, C.
登録日2022-07-28
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth.
Elife, 12, 2023
8AKH
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BU of 8akh by Molmil
Crystal structure of DltE from L. plantarum soaked with LTA
分子名称: Beta-lactamase family protein, GLYCEROL, L(+)-TARTARIC ACID, ...
著者Ravaud, S, Nikolopoulos, N, Grangeasse, C.
登録日2022-07-29
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth.
Elife, 12, 2023
2YLF
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BU of 2ylf by Molmil
Crystal structure of the human Spir-1 KIND domain
分子名称: PROTEIN SPIRE HOMOLOG 1
著者Zeth, K, Pechlivanis, M, Vonrhein, C, Kerkhoff, E.
登録日2011-06-01
公開日2011-06-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Molecular Basis of Actin Nucleation Factor Cooperativity: Crystal Structure of the Spir-1 Kinase Non-Catalytic C-Lobe Domain (Kind)Formin-2 Formin Spir Interaction Motif (Fsi) Complex.
J.Biol.Chem., 286, 2011
8AGR
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BU of 8agr by Molmil
Crystal structure of DltE from L. plantarum, apo form
分子名称: 1,2-ETHANEDIOL, Beta-lactamase family protein, SULFATE ION
著者Ravaud, S, Nikolopoulos, N, Grangeasse, C.
登録日2022-07-20
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth.
Elife, 12, 2023
4R2R
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BU of 4r2r by Molmil
Wilms Tumor Protein (WT1) zinc fingers in complex with carboxylated DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X.
登録日2014-08-12
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence.
Genes Dev., 28, 2014
3P0C
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BU of 3p0c by Molmil
Nischarin PX-domain
分子名称: GLYCEROL, Nischarin
著者Schutz, P, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Welin, M, Weigelt, J, Nordlund, P, Schuler, H, Structural Genomics Consortium (SGC)
登録日2010-09-28
公開日2010-10-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.273 Å)
主引用文献Crystal structure of Nischarin PX-domain
to be published
3P0M
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BU of 3p0m by Molmil
Human cAMP-dependent protein kinase in complex with an inhibitor
分子名称: (2R)-4-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Koester, H, Heine, A, Klebe, G.
登録日2010-09-29
公開日2011-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment based drug design on PKA
To be Published
6HJD
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BU of 6hjd by Molmil
Cholera toxin classical B-pentamer in complex with Lewis-x
分子名称: BICINE, CALCIUM ION, Cholera toxin B subunit, ...
著者Krengel, U, Heim, J.B.
登録日2018-09-03
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structures of cholera toxin in complex with fucosylated receptors point to importance of secondary binding site.
Sci Rep, 9, 2019
8DYC
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BU of 8dyc by Molmil
Human CYP3A4 bound to a substrate
分子名称: 2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Cytochrome P450 3A4, GLYCEROL, ...
著者Sevrioukova, I.F.
登録日2022-08-04
公開日2022-10-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of CYP3A4 Complexed with Fluorol Identifies the Substrate Access Channel as a High-Affinity Ligand Binding Site.
Int J Mol Sci, 23, 2022
1FMO
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CRYSTAL STRUCTURE OF A POLYHISTIDINE-TAGGED RECOMBINANT CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH THE PEPTIDE INHIBITOR PKI(5-24) AND ADENOSINE
分子名称: ADENOSINE, CAMP-DEPENDENT PROTEIN KINASE, HEAT STABLE RABBIT SKELETAL MUSCLE INHIBITOR PROTEIN
著者Narayana, N, Cox, S, Shaltiel, S, Taylor, S.S, Xuong, N.-H.
登録日1997-07-08
公開日1998-01-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a polyhistidine-tagged recombinant catalytic subunit of cAMP-dependent protein kinase complexed with the peptide inhibitor PKI(5-24) and adenosine.
Biochemistry, 36, 1997
3P4F
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Structural and biochemical insights into MLL1 core complex assembly and regulation.
分子名称: Histone-lysine N-methyltransferase MLL, Retinoblastoma-binding protein 5, WD repeat-containing protein 5
著者Avdic, V, Zhang, P, Lanouette, S, Groulx, A, Tremblay, V, Brunzelle, J.B, Couture, J.-F.
登録日2010-10-06
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and biochemical insights into MLL1 core complex assembly.
Structure, 19, 2011

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