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8OLX
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BU of 8olx by Molmil
MutSbeta bound to (CAG)2 DNA (canonical form)
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (25-MER), DNA mismatch repair protein Msh2, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-30
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献MutSbeta bound to (CAG)2 DNA (canonical form)
To Be Published
8DYO
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BU of 8dyo by Molmil
Cryo-EM structure of Importin-4 bound to RanGTP
分子名称: GTP-binding nuclear protein GSP1/CNR1, GUANOSINE-5'-TRIPHOSPHATE, Importin-4, ...
著者Bernardes, N.E, Fung, H.Y.J, Li, Y, Chen, Z, Chook, Y.M.
登録日2022-08-04
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (7.1 Å)
主引用文献Structure of IMPORTIN-4 bound to the H3-H4-ASF1 histone-histone chaperone complex.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DU4
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BU of 8du4 by Molmil
Complex between RbBP5-WDR5 and an H2B-ubiquitinated nucleosome
分子名称: 601 DNA (146-MER), Histone H2A, Histone H2B 1.1, ...
著者Niklas, H.A, Rahman, S, Worden, E.J, Wolberger, C.
登録日2022-07-26
公開日2022-09-21
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Multistate structures of the MLL1-WRAD complex bound to H2B-ubiquitinated nucleosome.
Proc.Natl.Acad.Sci.USA, 119, 2022
1B9M
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BU of 1b9m by Molmil
REGULATOR FROM ESCHERICHIA COLI
分子名称: NICKEL (II) ION, PROTEIN (MODE)
著者Hall, D.R, Gourley, D.G, Hunter, W.N.
登録日1999-02-12
公開日2000-03-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The high-resolution crystal structure of the molybdate-dependent transcriptional regulator (ModE) from Escherichia coli: a novel combination of domain folds.
EMBO J., 18, 1999
8OM5
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BU of 8om5 by Molmil
DNA-free open form of MutSbeta
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献DNA-free open form of MutSbeta
To Be Published
8OP0
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BU of 8op0 by Molmil
VHH Z70 mutant 20 in interaction with PHF6 Tau peptide
分子名称: Tau PHF6 peptide, VHH Z70 mutant 20
著者Dupre, E, Mortelecque, J, NGuyen, M, Hanoulle, X, Landrieu, I.
登録日2023-04-06
公開日2023-05-31
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献A selection and optimization strategy for single-domain antibodies targeting the PHF6 linear peptide within the tau intrinsically disordered protein.
J.Biol.Chem., 300, 2024
4TRI
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BU of 4tri by Molmil
X-ray crystal structure of CYP142A2 from Mycobacterium smegmatis, complexed with cholesterol sulfate.
分子名称: CHOLEST-5-EN-3-YL HYDROGEN SULFATE, GLYCEROL, P450 heme-thiolate protein, ...
著者Madrona, Y, Ortiz de Montellano, P.
登録日2014-06-17
公開日2014-09-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cholesterol ester oxidation by mycobacterial cytochrome p450.
J.Biol.Chem., 289, 2014
5LMW
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BU of 5lmw by Molmil
Llama nanobody PorM_02
分子名称: GLYCEROL, Nanobody
著者Roche, J, Gaubert, A, Leone, P, Roussel, A.
登録日2016-08-01
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
7ZHZ
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BU of 7zhz by Molmil
Leishmania donovani Glucose 6-Phosphate Dehydrogenase mutant C138S complexed with G6P and NADP(H)
分子名称: 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-glucopyranose, Glucose-6-phosphate 1-dehydrogenase, ...
著者Fritz-Wolf, K, Berneburg, I.
登録日2022-04-07
公開日2022-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Leishmania donovani glucose 6-phosphate dehydrogenase reveals a unique N-terminal domain.
Commun Biol, 5, 2022
5LYY
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BU of 5lyy by Molmil
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称: 3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione, Platelet-activating factor acetylhydrolase
著者Woolford, A, Day, P.
登録日2016-09-29
公開日2016-12-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
8OMO
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BU of 8omo by Molmil
DNA-unbound MutSbeta-ATP complex (bent clamp form)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献DNA-unbound MutSbeta-ATP complex (bent clamp form)
To Be Published
8BUU
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BU of 8buu by Molmil
ARE-ABCF VmlR2 bound to a 70S ribosome
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Crowe-McAuliffe, C, Wilson, D.N.
登録日2022-11-30
公開日2023-04-05
最終更新日2023-05-31
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Genome-encoded ABCF factors implicated in intrinsic antibiotic resistance in Gram-positive bacteria: VmlR2, Ard1 and CplR.
Nucleic Acids Res., 51, 2023
8OMA
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BU of 8oma by Molmil
MutSbeta bound to 61bp homoduplex DNA
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献MutSbeta bound to 61bp homoduplex DNA
To Be Published
8OMQ
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BU of 8omq by Molmil
DNA-unbound MutSbeta-ATP complex (straight clamp form)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献DNA-unbound MutSbeta-ATP complex (straight clamp form)
To Be Published
6B11
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BU of 6b11 by Molmil
TylHI in complex with native substrate 23-deoxy-5-O-mycaminosyl-tylonolide (23-DMTL)
分子名称: (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside, 1,2-ETHANEDIOL, 20-oxo-5-O-mycaminosyltylactone 23-monooxygenase, ...
著者DeMars, M.D, Sherman, D.H, Podust, L.M.
登録日2017-09-15
公開日2018-12-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献TylHI in complex with native substrate 23-deoxy-5-O-mycaminosyl-tylonolide (23-DMTL)
To Be Published
8BJG
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BU of 8bjg by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 8
分子名称: 14-3-3 protein sigma, 3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2022-11-04
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
8OM8
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BU of 8om8 by Molmil
X-ray structure of lysozyme obtained upon reaction with [VIVO(empp)2] (Structure A)
分子名称: 1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)V(IV)O4, ACETATE ION, CHLORIDE ION, ...
著者Paolillo, M, Ferraro, G, Merlino, A.
登録日2023-03-31
公開日2023-06-07
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Implications of Protein Interaction in the Speciation of Potential V IV O-Pyridinone Drugs.
Inorg.Chem., 62, 2023
1AO8
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BU of 1ao8 by Molmil
DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE, NMR, 21 STRUCTURES
分子名称: DIHYDROFOLATE REDUCTASE, METHOTREXATE
著者Gargaro, A.R, Soteriou, A, Frenkiel, T.A, Bauer, C.J, Birdsall, B, Polshakov, V.I, Barsukov, I.L, Roberts, G.C.K, Feeney, J.
登録日1997-07-22
公開日1998-02-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of the complex of Lactobacillus casei dihydrofolate reductase with methotrexate.
J.Mol.Biol., 277, 1998
5LRE
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BU of 5lre by Molmil
Crystal structure of Glycogen Phosphorylase b in complex with KS382
分子名称: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
著者Kantsadi, A.L, Stravodimos, G.A, Kyriakis, E, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2016-08-18
公開日2017-05-31
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.
Eur J Med Chem, 123, 2016
8OMT
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BU of 8omt by Molmil
X-ray structure of lysozyme obtained upon reaction with [VIVO(empp)2] (Structure C)
分子名称: 1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)V(IV)O4, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C, ...
著者Paolillo, M, Merlino, A, Ferraro, G.
登録日2023-03-31
公開日2023-06-07
実験手法X-RAY DIFFRACTION (1.097 Å)
主引用文献Implications of Protein Interaction in the Speciation of Potential V IV O-Pyridinone Drugs.
Inorg.Chem., 62, 2023
6AZU
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BU of 6azu by Molmil
Holo IDO1 crystal structure
分子名称: Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Lewis, H.A, Yan, C.
登録日2017-09-13
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.822 Å)
主引用文献Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8BJN
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BU of 8bjn by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 6
分子名称: 14-3-3 protein sigma, 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2022-11-04
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
8OMS
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BU of 8oms by Molmil
X-ray structure of lysozyme obtained upon reaction with [VIVO(empp)2] (Structure B)
分子名称: Lysozyme C, bis-[(1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)]-V(IV)O2
著者Paolillo, M, Ferraro, G, Merlino, A.
登録日2023-03-31
公開日2023-06-07
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Implications of Protein Interaction in the Speciation of Potential V IV O-Pyridinone Drugs.
Inorg.Chem., 62, 2023
6AX7
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BU of 6ax7 by Molmil
The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus
分子名称: FE (II) ION, Procollagen lysyl hydroxylase and glycosyltransferase
著者Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M.
登録日2017-09-06
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.
Nat Commun, 9, 2018
5M0E
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BU of 5m0e by Molmil
Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors
分子名称: 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
著者Keune, W.-J, Heidebrecht, T, Perrakis, A.
登録日2016-10-04
公開日2017-08-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017

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件を2024-07-17に公開中

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