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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
Descriptor: COBALT (II) ION, GALACTOSE-URIDINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E.
Deposit date:2017-04-22
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.12 Å)
Cite: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
Descriptor: ALPHA-BUNGAROTOXIN, PEPTIDE
Authors:Scherf, T, Kasher, R, Balass, M, Fridkin, M, Fuchs, S, Katchalski-Katzir, E.
Deposit date:2001-04-05
Release date:2001-05-25
Last modified:2017-02-08
Method:SOLUTION NMR
Cite: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
Descriptor: MAGNESIUM ION, TYPE II RESTRICTION ENZYME PVUII
Authors:Spyrida, A, Matzen, C, Lanio, T, Jeltsch, A, Simoncsits, A, Athanasiadis, A, Scheuring-Vanamee, E, Kokkinidis, M, Pingoud, A.
Deposit date:2001-05-20
Release date:2003-08-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, SODIUM ION, ...
Authors:Feitsma, L.J, Huizinga, E.G.
Deposit date:2015-08-06
Release date:2015-08-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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
Descriptor: ACETATE ION, EOSINOPHIL-DERIVED NEUROTOXIN
Authors:Swaminathan, G.J, Holloway, D.E, Veluraja, K, Acharya, K.R.
Deposit date:2001-12-05
Release date:2002-03-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite: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)
Descriptor: 5'-D(*DGP*DGP*DTP*DAP*DTP*DAP*DCP*DC)-3', SODIUM ION
Authors:Prange, T, Lecouvey, M, Migianu-Griffoni, E.
Deposit date:2007-04-20
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: CALCIUM ION, Cationic trypsin, SULFATE ION, ...
Authors:Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
Deposit date:2016-12-13
Release date:2018-02-28
Last modified:2024-01-17
Method:NEUTRON DIFFRACTION (1.5 Å)
Cite: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
Descriptor: IODIDE ION, tRNA(His) guanylyltransferase
Authors:Hyde, S.J, Eckenroth, B.E, Doublie, S.
Deposit date:2010-09-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.28 Å)
Cite: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
Descriptor: 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, ...
Authors:Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A.
Deposit date:2015-08-06
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.314 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ...
Authors:Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J.
Deposit date:2016-12-14
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite: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)
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ...
Authors:Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E.
Deposit date:2016-12-16
Release date:2017-03-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite: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
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase
Authors:Sasaki, E, Boehringer, D, Leibundgut, M, Ban, N, Hilvert, D.
Deposit date:2016-12-20
Release date:2017-03-22
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite: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
Descriptor: 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
Authors:Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M.
Deposit date:2016-10-28
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Proliferating cell nuclear antigen, Ribonuclease H2 subunit B
Authors:Bubeck, D, Reijns, M.A, Graham, S.C, Astell, K.R, Jones, E.Y, Jackson, A.P.
Deposit date:2010-10-13
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.99 Å)
Cite: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
Descriptor: 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.579 Å)
Cite: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
Descriptor: CALCIUM ION, Laminin subunit alpha-1, Laminin subunit beta-1, ...
Authors:Pulido, D, Hohenester, E.
Deposit date:2016-11-09
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.13 Å)
Cite: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
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
Authors:Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J.
Deposit date:2016-12-20
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, ...
Authors:Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J.
Deposit date:2016-12-20
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.14 Å)
Cite: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
Descriptor: Caspase recruitment domain-containing protein 9
Authors:Holliday, M.J, Ferrao, R, Boenig, G, Deuber, E.C, Fairbrother, W.J.
Deposit date:2018-07-10
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, Malate dehydrogenase, ...
Authors:Coquille, S, Roche, J, Engilberge, S, Girard, E, Madern, D.
Deposit date:2024-02-05
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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')
Authors:Prabaharan, C, Figiel, M, Chamera, S, Szczepanowski, R, Nowak, E, Nowotny, M.
Deposit date:2023-10-31
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GSI-B4 ISOLECTIN, PHOSPHATE ION
Authors:Lescar, J, Loris, R, Mitchell, E, Gautier, C, Imberty, A.
Deposit date:2001-10-11
Release date:2001-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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.
Descriptor: 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, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2018-07-25
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH2, JARID2-substrate, ...
Authors:Kasinath, V, Faini, M, Poepsel, S, Reif, D, Feng, A, Stjepanovic, G, Aebersold, R, Nogales, E.
Deposit date:2018-01-06
Release date:2018-01-24
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 2024

223790

数据于2024-08-14公开中

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