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7KEF
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BU of 7kef by Molmil
RNA polymerase II elongation complex with unnatural base dTPT3, rNaM in swing state
分子名称: (1S)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
著者Oh, J, Wang, D.
登録日2020-10-10
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.89 Å)
主引用文献Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
7KEE
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BU of 7kee by Molmil
RNA polymerase II elongation complex with unnatural base dTPT3, rNaMTP bound to E-site
分子名称: (1S)-1,4-anhydro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
著者Oh, J, Wang, D.
登録日2020-10-10
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
5U2O
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BU of 5u2o by Molmil
Crystal structure of Zn-binding triple mutant of GH family 9 endoglucanase J30
分子名称: CITRATE ANION, GLYCEROL, J30 CCH, ...
著者Ellinghaus, T.L, Pereira, J.H, McAndrew, R.P, Welner, D.H, Adams, P.D.
登録日2016-11-30
公開日2018-05-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Engineering glycoside hydrolase stability by the introduction of zinc binding.
Acta Crystallogr D Struct Biol, 74, 2018
2WZF
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BU of 2wzf by Molmil
Legionella pneumophila glucosyltransferase crystal structure
分子名称: GLUCOSYLTRANSFERASE, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
著者Hurtado-Guerrero, R, Zusman, T, Pathak, S, Ibrahim, A.F.M, Shepherd, S, Prescott, A, Segal, G, van Aalten, D.M.F.
登録日2009-11-29
公開日2009-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular Mechanism of Elongation Factor 1A Inhibition by a Legionella Pneumophila Glycosyltransferase.
Biochem.J., 426, 2010
1PNF
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BU of 1pnf by Molmil
PNGASE F COMPLEX WITH DI-N-ACETYLCHITOBIOSE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, PEPTIDE-N(4)-(N-ACETYL-BETA-D-GLUCOSAMINYL)ASPARAGINE AMIDASE F, SULFATE ION
著者Van Roey, P, Kuhn, P.
登録日1995-10-11
公開日1996-03-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Active site and oligosaccharide recognition residues of peptide-N4-(N-acetyl-beta-D-glucosaminyl)asparagine amidase F.
J.Biol.Chem., 270, 1995
4PYQ
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BU of 4pyq by Molmil
Humanized rat apo-COMT in complex with a ureido-benzamidine
分子名称: 4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide, ACETATE ION, CHLORIDE ION, ...
著者Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
登録日2014-03-27
公開日2014-06-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4PW2
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BU of 4pw2 by Molmil
Crystal structure of D-glucuronyl C5 epimerase
分子名称: CITRIC ACID, D-glucuronyl C5 epimerase B
著者Ke, J, Qin, Y, Gu, X, Brunzelle, J.S, Xu, H.E, Ding, K.
登録日2014-03-18
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Study of d-Glucuronyl C5-epimerase.
J.Biol.Chem., 290, 2015
3VQ7
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BU of 3vq7 by Molmil
HIV-1 IN core domain in complex with 4-(1H-pyrrol-1-yl)aniline
分子名称: 4-(1H-pyrrol-1-yl)aniline, CADMIUM ION, POL polyprotein, ...
著者Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
登録日2012-03-20
公開日2013-01-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
7KRI
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BU of 7kri by Molmil
FR6-bound SARS-CoV-2 Nsp9 RNA-replicase
分子名称: 1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, MALONATE ION, Non-structural protein 9, ...
著者Littler, D.R, Gully, B.S, Rossjohn, J.
登録日2020-11-20
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Binding of a pyrimidine RNA base-mimic to SARS-CoV-2 nonstructural protein 9.
J.Biol.Chem., 297, 2021
3VQA
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BU of 3vqa by Molmil
HIV-1 IN core domain in complex with 1-benzothiophen-6-amine 1,1-dioxide
分子名称: 1-benzothiophen-6-amine 1,1-dioxide, CADMIUM ION, POL polyprotein, ...
著者Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
登録日2012-03-20
公開日2013-01-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
4HIZ
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BU of 4hiz by Molmil
Phage phi92 endosialidase
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Schwarzer, D, Browning, C, Leiman, P.G.
登録日2012-10-12
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Crystal Structure of Endosialidase from Phage phi92 that cleaves alpha2,8- and alpha2,9-linked polysialic acid
To be Published
6TQF
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BU of 6tqf by Molmil
The structure of ABC transporter Rv1819c in AMP-PNP bound state
分子名称: ABC transporter ATP-binding protein/permease, DODECYL-BETA-D-MALTOSIDE, MAGNESIUM ION, ...
著者Rempel, S, Gati, C, Slotboom, D.J, Guskov, A.
登録日2019-12-16
公開日2020-04-01
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献A mycobacterial ABC transporter mediates the uptake of hydrophilic compounds.
Nature, 580, 2020
3IJ9
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BU of 3ij9 by Molmil
Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase
分子名称: (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, CALCIUM ION, CHLORIDE ION, ...
著者Li, C, Zhang, R, Withers, S.G, Brayer, G.D.
登録日2009-08-04
公開日2009-10-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Directed "in situ" inhibitor elongation as a strategy to structurally characterize the covalent glycosyl-enzyme intermediate of human pancreatic alpha-amylase
Biochemistry, 48, 2009
4PYJ
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BU of 4pyj by Molmil
human apo-COMT, single domain swap
分子名称: CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
登録日2014-03-27
公開日2014-06-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
4PYO
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BU of 4pyo by Molmil
Humanized rat COMT bound to SAH, semi-holo form
分子名称: Catechol O-methyltransferase, MAGNESIUM ION, POTASSIUM ION, ...
著者Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G.
登録日2014-03-27
公開日2014-06-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
3VSZ
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BU of 3vsz by Molmil
Crystal structure of Ct1,3Gal43A in complex with galactan
分子名称: GLYCEROL, Ricin B lectin, beta-D-galactopyranose-(1-3)-beta-D-galactopyranose, ...
著者Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C.
登録日2012-05-18
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.893 Å)
主引用文献Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
4QLM
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BU of 4qlm by Molmil
ydao riboswitch binding to c-di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, RNA (108-MER), ...
著者Ren, A.M, Patel, D.J.
登録日2014-06-12
公開日2014-08-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.721 Å)
主引用文献c-di-AMP binds the ydaO riboswitch in two pseudo-symmetry-related pockets.
Nat.Chem.Biol., 10, 2014
2UUI
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BU of 2uui by Molmil
Crystal structure of Human Leukotriene C4 Synthase
分子名称: DODECYL-BETA-D-MALTOSIDE, LEUKOTRIENE C4 SYNTHASE, NICKEL (II) ION, ...
著者Martinez Molina, D, Wetterholm, A, Kohl, A, McCarthy, A.A, Niegowski, D, Ohlson, E, Hammarberg, T, Eshaghi, S, Haeggstrom, J.Z, Nordlund, P.
登録日2007-03-02
公開日2007-07-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Synthesis of Inflammatory Mediators by Human Leukotriene C4 Synthase.
Nature, 448, 2007
7BNU
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BU of 7bnu by Molmil
VDR complex with BXL-62
分子名称: 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N, Belorusova, A.Y.
登録日2021-01-22
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Vitamin D Analogs Bearing C-20 Modifications Stabilize the Agonistic Conformation of Non-Responsive Vitamin D Receptor Variants.
Int J Mol Sci, 23, 2022
7BNS
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BU of 7bns by Molmil
VDR complex with BXL-62
分子名称: 1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N, Belorusova, A.Y.
登録日2021-01-22
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Vitamin D Analogs Bearing C-20 Modifications Stabilize the Agonistic Conformation of Non-Responsive Vitamin D Receptor Variants.
Int J Mol Sci, 23, 2022
7L2X
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BU of 7l2x by Molmil
cryo-EM structure of RTX-bound minimal TRPV1 with NMDG at state c
分子名称: (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate, 1-deoxy-1-(methylamino)-D-allitol, Transient receptor potential cation channel subfamily V member 1, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
6JG2
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BU of 6jg2 by Molmil
Crystal structure of barley exohydrolaseI wildtype in complex with 4'-nitrophenyl thiolaminaribioside
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Barley exohydrolase I, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-13
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
3OBV
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BU of 3obv by Molmil
Autoinhibited Formin mDia1 Structure
分子名称: Protein diaphanous homolog 1, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Tomchick, D.R, Rosen, M.K, Otomo, T.
登録日2010-08-09
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of the Formin mDia1 in autoinhibited conformation.
Plos One, 5, 2010
4D6D
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BU of 4d6d by Molmil
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the blood group A-trisaccharide (X02 mutant)
分子名称: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose
著者Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G.
登録日2014-11-11
公開日2014-11-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
2ZML
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BU of 2zml by Molmil
Crystal structure of basic winged bean lectin in complex with Gal-ALPHA 1,4 Gal
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Basic agglutinin, CALCIUM ION, ...
著者Kulkarni, K.A, Katiyar, S, Surolia, A, Vijayan, M, Suguna, K.
登録日2008-04-19
公開日2008-07-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure and sugar-specificity of basic winged-bean lectin: structures of new disaccharide complexes and a comparative study with other known disaccharide complexes of the lectin.
Acta Crystallogr.,Sect.D, 64, 2008

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