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5WQH
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Structure of fungal meroterpenoid isomerase Trt14 complexed with substrate analog and endo-terretonin D
分子名称: CALCIUM ION, Isomerase trt14, methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12,12a-heptamethyl-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-4a,5,6a,9,10,10b-hexahydronaphtho[1,2-h]isochromene-2-carboxylate, ...
著者Mori, T, Matsuda, Y, Abe, I.
登録日2016-11-26
公開日2017-07-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Molecular basis for the unusual ring reconstruction in fungal meroterpenoid biogenesis
Nat. Chem. Biol., 13, 2017
6T7L
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BU of 6t7l by Molmil
Crystal structure of AmpC from E.coli with Nacubactam (OP0595)
分子名称: (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ...
著者Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
登録日2019-10-22
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
2W2D
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BU of 2w2d by Molmil
Crystal Structure of a Catalytically Active, Non-toxic Endopeptidase Derivative of Clostridium botulinum Toxin A
分子名称: ACETATE ION, BOTULINUM NEUROTOXIN A HEAVY CHAIN, BOTULINUM NEUROTOXIN A LIGHT CHAIN, ...
著者Masuyer, G, Thiyagarajan, N, James, P.L, Marks, P.M.H, Chaddock, J.A, Acharya, K.R.
登録日2008-10-29
公開日2009-03-24
最終更新日2022-05-04
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal Structure of a Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A.
Biochem.Biophys.Res.Commun., 381, 2009
5WN0
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APE1 exonuclease substrate complex with a C/G match
分子名称: DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ...
著者Freudenthal, B.D, Whitaker, A.M.
登録日2017-07-31
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular snapshots of APE1 proofreading mismatches and removing DNA damage.
Nat Commun, 9, 2018
5X1V
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BU of 5x1v by Molmil
PKM2 in complex with compound 2
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide, Pyruvate kinase PKM
著者Matsui, Y, Hanzawa, H.
登録日2017-01-27
公開日2017-05-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator
Bioorg. Med. Chem., 25, 2017
7TBK
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BU of 7tbk by Molmil
Composite structure of the dilated human nuclear pore complex (NPC) symmetric core generated with a 37A in situ cryo-ET map of CD4+ T cell NPC
分子名称: NUP107 CTD, NUP107 NTD, NUP133, ...
著者Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
登録日2021-12-22
公開日2022-06-15
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (37 Å)
主引用文献Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
9AVL
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BU of 9avl by Molmil
Structure of human calcium-sensing receptor in complex with Gi3 protein in nanodiscs
分子名称: (19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R.
登録日2024-03-04
公開日2024-04-17
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Promiscuous G-protein activation by the calcium-sensing receptor.
Nature, 629, 2024
3F73
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Alignment of guide-target seed duplex within an argonaute silencing complex
分子名称: ARGONAUTE, DNA (5'-D(P*DTP*DGP*DAP*DGP*DGP*DTP*DAP*DGP*DTP*DAP*DGP*DGP*DTP*DTP*DGP*DTP*DA*DTP*DAP*DGP*DT)-3'), MAGNESIUM ION, ...
著者Wang, Y, Li, H, Sheng, G, Juranek, S, Tuschl, T, Patel, D.J.
登録日2008-11-07
公開日2008-12-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of an argonaute silencing complex with a seed-containing guide DNA and target RNA duplex.
Nature, 456, 2008
7TBJ
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BU of 7tbj by Molmil
Composite structure of the human nuclear pore complex (NPC) symmetric core generated with a 12A cryo-ET map of the purified HeLa cell NPC
分子名称: NUP107 CTD, NUP107 NTD, NUP133, ...
著者Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
登録日2021-12-22
公開日2022-06-22
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (23 Å)
主引用文献Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
6T35
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Crystal structure of AmpC from E.coli with Enmetazobactam (AAI-101)
分子名称: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
登録日2019-10-10
公開日2020-11-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
5LJE
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BU of 5lje by Molmil
Crystal structure of holo human CRBP1/K40L,Q108L mutant
分子名称: RETINOL, Retinol-binding protein 1, SODIUM ION
著者Zanotti, G, Vallese, F, Berni, R, Menozzi, I.
登録日2016-07-18
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and molecular determinants affecting the interaction of retinol with human CRBP1.
J. Struct. Biol., 197, 2017
2W5Y
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BU of 2w5y by Molmil
Binary Complex of the Mixed Lineage Leukaemia (MLL1) SET Domain with the cofactor product S-Adenosylhomocysteine.
分子名称: HISTONE-LYSINE N-METHYLTRANSFERASE HRX, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Southall, S.M, Wong, P.S, Odho, Z, Roe, S.M, WIlson, J.R.
登録日2008-12-15
公開日2009-02-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Requirement of Additional Factors for Mll1 Set Domain Activity and Recognition of Epigenetic Marks.
Mol.Cell, 33, 2009
4M30
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BU of 4m30 by Molmil
Crystal structure of RNASE III complexed with double-stranded RNA AND AMP (TYPE II CLEAVAGE)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Gan, J, Liang, Y.-H, Shaw, G.X, Tropea, J.E, Waugh, D.S, Ji, X.
登録日2013-08-05
公開日2013-12-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献RNase III: Genetics and Function; Structure and Mechanism.
Annu. Rev. Genet., 47, 2013
2WGS
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Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor.
分子名称: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLUTAMINE SYNTHETASE 1
著者Nilsson, M.T, Krajewski, W.W, Jones, T.A, Mowbray, S.L.
登録日2009-04-27
公開日2009-09-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Basis for the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase by Novel ATP-Competitive Inhibitors.
J.Mol.Biol., 393, 2009
4D13
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BU of 4d13 by Molmil
Crystal structure of cofactor-free urate oxidase in complex with its 5-peroxoisourate intermediate (X-ray dose, 2.2 kGy)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(HYDRO)PEROXOISOURATE, URICASE
著者Bui, S, Steiner, R.A.
登録日2014-05-01
公開日2014-10-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase.
Angew. Chem. Int. Ed. Engl., 53, 2014
6NWG
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BU of 6nwg by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 3a
分子名称: ATP-dependent dethiobiotin synthetase BioD, [(1R,2R)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-02-06
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.939 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 3a
To Be Published
6NU6
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BU of 6nu6 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5
分子名称: 4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, 4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, ATP-dependent dethiobiotin synthetase BioD, ...
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-01-31
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.437 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5
To Be Published
6NVE
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7
分子名称: 4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-02-05
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7
To Be Published
1KX1
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BU of 1kx1 by Molmil
Rat mannose protein A complexed with Man6-GlcNAc2-Asn
分子名称: CALCIUM ION, MANNOSE-BINDING PROTEIN A, alpha-D-mannopyranose, ...
著者Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I.
登録日2002-01-30
公開日2002-07-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
J.Biol.Chem., 277, 2002
1KWY
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BU of 1kwy by Molmil
Rat mannose protein A complexed with man-a13-man.
分子名称: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN A, ...
著者Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I.
登録日2002-01-30
公開日2002-07-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
J.Biol.Chem., 277, 2002
4W8A
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Crystal structure of XEG5B, a GH5 xyloglucan-specific beta-1,4-glucanase from ruminal metagenomic library, in the native form
分子名称: Exo-xyloglucanase, GLYCEROL, SULFATE ION
著者Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
登録日2014-08-22
公開日2015-03-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
2ILP
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Clostridium botulinum Serotype A Light Chain inhibited by 4-chlorocinnamic hydroxamate
分子名称: (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, PHOSPHATE ION, ...
著者Silvaggi, N.R, Allen, K.N.
登録日2006-10-03
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
4W9I
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BU of 4w9i by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 10)
分子名称: (4R)-1-acetyl-4-hydroxy-L-prolyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
著者Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A.
登録日2014-08-27
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4WBY
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tRNA-processing enzyme (apo form I)
分子名称: GLYCEROL, Poly A polymerase, SULFATE ION
著者Yamashita, S, Tomita, K.
登録日2014-09-04
公開日2015-04-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Structure, 23, 2015
6Z5B
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Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003128
分子名称: 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase haspin
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003128
To Be Published

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