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5NRD
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BU of 5nrd by Molmil
A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (a-3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - alpha-3GalT in complex with Co2+, UDP-Gal and lactose - a3GalT-Co2+-UDP-Gal-LAT-2
分子名称: COBALT (II) ION, GALACTOSE-URIDINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E.
登録日2017-04-22
公開日2017-10-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural Snapshots of alpha-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases.
Angew. Chem. Int. Ed. Engl., 56, 2017
1HAA
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BU of 1haa by Molmil
A beta-Hairpin Structure in a 13-mer Peptide that Binds a-Bungarotoxin with High Affinity and Neutralizes its Toxicity
分子名称: ALPHA-BUNGAROTOXIN, PEPTIDE
著者Scherf, T, Kasher, R, Balass, M, Fridkin, M, Fuchs, S, Katchalski-Katzir, E.
登録日2001-04-05
公開日2001-05-25
最終更新日2017-02-08
実験手法SOLUTION NMR
主引用文献A Beta-Hairpin Structure in a 13-mer Peptide that Binds Alpha-Bungarotoxin with High Affinity and Neutralizes its Toxicity
Proc.Natl.Acad.Sci.USA, 98, 2001
1H56
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BU of 1h56 by Molmil
Structural and biochemical characterization of a new magnesium ion binding site near Tyr94 in the restriction endonuclease PvuII
分子名称: MAGNESIUM ION, TYPE II RESTRICTION ENZYME PVUII
著者Spyrida, A, Matzen, C, Lanio, T, Jeltsch, A, Simoncsits, A, Athanasiadis, A, Scheuring-Vanamee, E, Kokkinidis, M, Pingoud, A.
登録日2001-05-20
公開日2003-08-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and Biochemical Characterization of a New Mg(2+) Binding Site Near Tyr94 in the Restriction Endonuclease PvuII.
J.Mol.Biol., 331, 2003
5D3D
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BU of 5d3d by Molmil
Crystal structure of Staphylococcal Superantigen-Like protein 3
分子名称: CHLORIDE ION, GLYCEROL, SODIUM ION, ...
著者Feitsma, L.J, Huizinga, E.G.
登録日2015-08-06
公開日2015-08-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural basis for inhibition of TLR2 by staphylococcal superantigen-like protein 3 (SSL3).
Proc.Natl.Acad.Sci.USA, 112, 2015
1GQV
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BU of 1gqv by Molmil
Atomic Resolution (0.98A) Structure of Eosinophil-Derived Neurotoxin
分子名称: ACETATE ION, EOSINOPHIL-DERIVED NEUROTOXIN
著者Swaminathan, G.J, Holloway, D.E, Veluraja, K, Acharya, K.R.
登録日2001-12-05
公開日2002-03-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Atomic Resolution (0.98 A) Structure of Eosinophil-Derived Neurotoxin
Biochemistry, 41, 2002
2PLO
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BU of 2plo by Molmil
D-(GTATACC) low temperature (100K)
分子名称: 5'-D(*DGP*DGP*DTP*DAP*DTP*DAP*DCP*DC)-3', SODIUM ION
著者Prange, T, Lecouvey, M, Migianu-Griffoni, E.
登録日2007-04-20
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Adaptation of macromolecular crystals to extreme conditions: high pressure versus low temperature
To be Published
5MO2
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BU of 5mo2 by Molmil
Neutron structure of cationic trypsin in complex with N-amidinopiperidine
分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION, ...
著者Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
登録日2016-12-13
公開日2018-02-28
最終更新日2024-01-17
実験手法NEUTRON DIFFRACTION (1.5 Å)
主引用文献Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
3OTD
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BU of 3otd by Molmil
Crystal structure of human tRNAHis guanylyltransferase (Thg1)- NaI derivative
分子名称: IODIDE ION, tRNA(His) guanylyltransferase
著者Hyde, S.J, Eckenroth, B.E, Doublie, S.
登録日2010-09-11
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献tRNAHis guanylyltransferase (THG1), a unique 3'-5' nucleotidyl transferase, shares unexpected structural homology with canonical 5'-3' DNA polymerases.
Proc.Natl.Acad.Sci.USA, 107, 2010
5D3C
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BU of 5d3c by Molmil
Crystal structure of a double mutant catalytic domain of Human MMP12 in complex with an hydroxamate analogue of RXP470
分子名称: CALCIUM ION, Macrophage metalloelastase, N-[(2R)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ...
著者Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A.
登録日2015-08-06
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.314 Å)
主引用文献Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity.
J. Med. Chem., 60, 2017
5MOK
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BU of 5mok by Molmil
Crystal structure of human IgE-Fc epsilon 3-4
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ...
著者Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J.
登録日2016-12-14
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
5MPD
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BU of 5mpd by Molmil
26S proteasome in presence of ATP (s1)
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ...
著者Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E.
登録日2016-12-16
公開日2017-03-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5MQ7
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BU of 5mq7 by Molmil
Structure of AaLS-13
分子名称: 6,7-dimethyl-8-ribityllumazine synthase
著者Sasaki, E, Boehringer, D, Leibundgut, M, Ban, N, Hilvert, D.
登録日2016-12-20
公開日2017-03-22
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Structure and assembly of scalable porous protein cages.
Nat Commun, 8, 2017
5M81
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BU of 5m81 by Molmil
Translation initiation factor 4E in complex with (SP)-iPr-m7GppSpG mRNA 5' cap analog
分子名称: Eukaryotic translation initiation factor 4E, GLYCEROL, [[[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M.
登録日2016-10-28
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Translation initiation factor 4E in complex with (SP)-iPr-m7GppSpG mRNA 5' cap analog
To Be Published
3P87
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BU of 3p87 by Molmil
Structure of human PCNA bound to RNASEH2B PIP box peptide
分子名称: Proliferating cell nuclear antigen, Ribonuclease H2 subunit B
著者Bubeck, D, Reijns, M.A, Graham, S.C, Astell, K.R, Jones, E.Y, Jackson, A.P.
登録日2010-10-13
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献PCNA directs type 2 RNase H activity on DNA replication and repair substrates.
Nucleic Acids Res., 39, 2011
8QIX
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BU of 8qix by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
分子名称: 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
登録日2023-09-12
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 2024
5MC9
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BU of 5mc9 by Molmil
Crystal structure of the heterotrimeric integrin-binding region of laminin-111
分子名称: CALCIUM ION, Laminin subunit alpha-1, Laminin subunit beta-1, ...
著者Pulido, D, Hohenester, E.
登録日2016-11-09
公開日2017-02-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Crystal Structure of the Heterotrimeric Integrin-Binding Region of Laminin-111.
Structure, 25, 2017
5UBH
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BU of 5ubh by Molmil
Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound ATP
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
著者Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J.
登録日2016-12-20
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase.
Biochem. J., 475, 2018
5UBI
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BU of 5ubi by Molmil
Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound PRPP
分子名称: 1,2-ETHANEDIOL, 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, ...
著者Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J.
登録日2016-12-20
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase.
Biochem. J., 475, 2018
6E28
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BU of 6e28 by Molmil
The CARD9 CARD domain-swapped dimer
分子名称: Caspase recruitment domain-containing protein 9
著者Holliday, M.J, Ferrao, R, Boenig, G, Deuber, E.C, Fairbrother, W.J.
登録日2018-07-10
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9.
J. Biol. Chem., 293, 2018
8RWL
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BU of 8rwl by Molmil
Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 1
分子名称: CHLORIDE ION, GLYCEROL, Malate dehydrogenase, ...
著者Coquille, S, Roche, J, Engilberge, S, Girard, E, Madern, D.
登録日2024-02-05
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Navigating the conformational landscape of an enzyme. Stabilization of a low populated conformer by evolutionary mutations triggers Allostery into a non-allosteric enzyme.
To Be Published
8R0S
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BU of 8r0s by Molmil
Structure of reverse transcriptase from Cauliflower Mosaic Virus in complex with RNA/DNA hybrid
分子名称: DNA (5'-D(*GP*CP*TP*AP*CP*GP*CP*AP*CP*TP*GP*CP*TP*GP*GP*A)-3'), Enzymatic polyprotein, RNA (5'-R(*GP*UP*CP*CP*AP*GP*CP*AP*GP*UP*GP*CP*GP*UP*AP*GP*C)-3')
著者Prabaharan, C, Figiel, M, Chamera, S, Szczepanowski, R, Nowak, E, Nowotny, M.
登録日2023-10-31
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and biochemical characterization of cauliflower mosaic virus reverse transcriptase.
J.Biol.Chem., 2024
1GNZ
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BU of 1gnz by Molmil
LECTIN I-B4 FROM GRIFFONIA SIMPLICIFOLIA (GS I-B4)METAL FREE FORM
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GSI-B4 ISOLECTIN, PHOSPHATE ION
著者Lescar, J, Loris, R, Mitchell, E, Gautier, C, Imberty, A.
登録日2001-10-11
公開日2001-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Isolectins I-A and I-B of Griffonia (Bandeiraea) Simplicifolia. Crystal Structure of Metal-Free Gs I-B(4) and Molecular Basis for Metal Binding and Monosaccharide Specificity.
J.Biol.Chem., 277, 2002
6H5X
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BU of 6h5x by Molmil
Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Omapatrilat.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cozier, G.E, Acharya, K.R.
登録日2018-07-25
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Basis for Multiple Omapatrilat Binding Sites within the ACE C-Domain: Implications for Drug Design.
J. Med. Chem., 61, 2018
6C24
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BU of 6c24 by Molmil
Cryo-EM structure of PRC2 bound to cofactors AEBP2 and JARID2 in the Extended Active State
分子名称: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH2, JARID2-substrate, ...
著者Kasinath, V, Faini, M, Poepsel, S, Reif, D, Feng, A, Stjepanovic, G, Aebersold, R, Nogales, E.
登録日2018-01-06
公開日2018-01-24
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of human PRC2 with its cofactors AEBP2 and JARID2.
Science, 359, 2018
8QID
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BU of 8qid by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with fragment
分子名称: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
登録日2023-09-12
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 2024

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