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6IYW
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BU of 6iyw by Molmil
Crystal sturucture of L,D-transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with Imipenem adduct
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, GLYCEROL, L,D-transpeptidase 2
著者Li, D.F, Zhao, F, Wang, D.C.
登録日2018-12-17
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The 1-beta-methyl group confers a lower affinity of l,d-transpeptidase LdtMt2 for ertapenem than for imipenem.
Biochem. Biophys. Res. Commun., 510, 2019
6IYY
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BU of 6iyy by Molmil
Crystal structure of human WIPI3,loop deletion mutant
分子名称: SULFATE ION, WD repeat domain phosphoinositide-interacting protein 3
著者Liang, R.B, Ren, J.Q, Feng, W.
登録日2018-12-17
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Structural Conservation of the Two Phosphoinositide-Binding Sites in WIPI Proteins.
J. Mol. Biol., 431, 2019
6JW4
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BU of 6jw4 by Molmil
Degenerate RVD RG forms a distinct loop conformation
分子名称: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5HC)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
著者Liu, L, Yi, C.
登録日2019-04-18
公開日2020-04-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
6HU9
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BU of 6hu9 by Molmil
III2-IV2 mitochondrial respiratory supercomplex from S. cerevisiae
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, CALCIUM ION, ...
著者Hartley, A.M, Pinotsis, N, Marechal, A.
登録日2018-10-05
公開日2018-12-26
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structure of yeast cytochrome c oxidase in a supercomplex with cytochrome bc1.
Nat. Struct. Mol. Biol., 26, 2019
6JW5
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BU of 6jw5 by Molmil
RVD Q* recognizes 5hmC through water-mediated H bonds
分子名称: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5HC)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
著者Liu, L, Yi, C.
登録日2019-04-18
公開日2020-04-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
6JW0
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BU of 6jw0 by Molmil
Universal RVD R* accommodates cytosine via water-mediated interactions
分子名称: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*CP*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
著者Liu, L, Yi, C.
登録日2019-04-18
公開日2020-04-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
6JW3
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BU of 6jw3 by Molmil
Degenerate RVD RG forms a distinct loop conformation
分子名称: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
著者Liu, L, Yi, C.
登録日2019-04-18
公開日2020-04-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
4NCM
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BU of 4ncm by Molmil
Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor
分子名称: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2013-10-24
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4NCE
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BU of 4nce by Molmil
Influenza polymerase basic protein 2 (PB2) bound to 7-methyl-GTP
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2013-10-24
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
6HZ2
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BU of 6hz2 by Molmil
SOLUTION NMR STRUCTURE OF MAXIMIN 3 IN 50% TRIFLUOROETHANOL
分子名称: Maximins 3/H11 type 2
著者Benetti, S, Timmons, P.B, Hewage, C.M.
登録日2018-10-22
公開日2019-02-20
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献NMR model structure of the antimicrobial peptide maximin 3.
Eur.Biophys.J., 48, 2019
4MUX
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BU of 4mux by Molmil
IspH in complex with pyridin-3-ylmethyl diphosphate
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, pyridin-3-ylmethyl trihydrogen diphosphate
著者Span, I, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M.
登録日2013-09-23
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
6JVZ
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BU of 6jvz by Molmil
RVD HA specifically contacts 5mC through van der Waals interactions
分子名称: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
著者Liu, L, Yi, C.
登録日2019-04-18
公開日2020-04-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
4HE0
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BU of 4he0 by Molmil
Crystal structure of human muscle fructose-1,6-bisphosphatase
分子名称: CHLORIDE ION, Fructose-1,6-bisphosphatase isozyme 2, MAGNESIUM ION, ...
著者Shi, R, Zhu, D.W, Lin, S.X.
登録日2012-10-03
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Crystal Structures of Human Muscle Fructose-1,6-Bisphosphatase: Novel Quaternary States, Enhanced AMP Affinity, and Allosteric Signal Transmission Pathway.
Plos One, 8, 2013
6K62
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BU of 6k62 by Molmil
Crystal structure of Xanthomonas PcrK
分子名称: Histidine kinase
著者Ming, Z.H, Tang, J.L, Wu, L.J, Chen, P.
登録日2019-05-31
公開日2019-09-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The crystal structure of the phytopathogenic bacterial sensor PcrK reveals different cytokinin recognition mechanism from the plant sensor AHK4.
J.Struct.Biol., 208, 2019
7Y49
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BU of 7y49 by Molmil
Cryo-EM Structure of apo mitochondrial ABC transporter ABCB10 from Biortus
分子名称: ATP-binding cassette sub-family B member 10, mitochondrial
著者Cao, S, Yang, Y.
登録日2022-06-14
公開日2023-04-19
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Cryo-EM structures of mitochondrial ABC transporter ABCB10 in apo and biliverdin-bound form.
Nat Commun, 14, 2023
7Y48
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BU of 7y48 by Molmil
Cryo-EM Structure of biliverdin-bound mitochondrial ABC transporter ABCB10 from Biortus
分子名称: ATP-binding cassette sub-family B member 10, mitochondrial, Biliverdine IX Alpha, ...
著者Cao, S, Yang, Y.
登録日2022-06-14
公開日2023-05-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Cryo-EM structures of mitochondrial ABC transporter ABCB10 in apo and biliverdin-bound form.
Nat Commun, 14, 2023
4HE2
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BU of 4he2 by Molmil
Crystal structure of human muscle fructose-1,6-bisphosphatase Q32R mutant complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Fructose-1,6-bisphosphatase isozyme 2, ...
著者Shi, R, Zhu, D.W, Lin, S.X.
登録日2012-10-03
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of Human Muscle Fructose-1,6-Bisphosphatase: Novel Quaternary States, Enhanced AMP Affinity, and Allosteric Signal Transmission Pathway.
Plos One, 8, 2013
4HE1
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BU of 4he1 by Molmil
Crystal structure of human muscle fructose-1,6-bisphosphatase Q32R mutant complex with fructose-6-phosphate and phosphate
分子名称: 6-O-phosphono-beta-D-fructofuranose, CHLORIDE ION, Fructose-1,6-bisphosphatase isozyme 2, ...
著者Shi, R, Zhu, D.W, Lin, S.X.
登録日2012-10-03
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal Structures of Human Muscle Fructose-1,6-Bisphosphatase: Novel Quaternary States, Enhanced AMP Affinity, and Allosteric Signal Transmission Pathway.
Plos One, 8, 2013
6JW1
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BU of 6jw1 by Molmil
Universal RVD R* accommodates 5mC via water-mediated interactions
分子名称: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
著者Liu, L, Yi, C.
登録日2019-04-18
公開日2020-04-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
3SX0
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BU of 3sx0 by Molmil
Crystal structure of Dot1l in complex with a brominated SAH analog
分子名称: (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2011-07-14
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorg. Med. Chem., 21, 2013
6JW2
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BU of 6jw2 by Molmil
Universal RVD R* accommodates 5hmC via water-mediated interactions
分子名称: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5HC)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
著者Liu, L, Yi, C.
登録日2019-04-18
公開日2020-04-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
6H8P
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BU of 6h8p by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Histone H1.4(18-32)K26me3 peptide (15-mer)
分子名称: CHLORIDE ION, GLYCEROL, Histone H1.4, ...
著者Chowdhury, R, Walport, L.J, Schofield, C.J.
登録日2018-08-03
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.983 Å)
主引用文献Mechanistic and structural studies of KDM-catalysed demethylation of histone 1 isotype 4 at lysine 26.
FEBS Lett., 592, 2018
6KQU
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BU of 6kqu by Molmil
Crystal structure of phospholipase A2
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Hou, S, Xu, T, Liu, J.
登録日2019-08-18
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Residue Asn21 acts as a switch for calcium binding to modulate the enzymatic activity of human phospholipase A2 group IIE.
Biochimie, 176, 2020
6IYV
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Crystal sturucture of L,D-transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with ertapenem adduct
分子名称: (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Zhao, F, Li, D.F, Wang, D.C.
登録日2018-12-17
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The 1-beta-methyl group confers a lower affinity of l,d-transpeptidase LdtMt2for ertapenem than for imipenem.
Biochem. Biophys. Res. Commun., 510, 2019
4P1U
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BU of 4p1u by Molmil
Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2014-02-27
公開日2014-07-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014

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