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8OS2
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BU of 8os2 by Molmil
Structure of the human LYVE-1 (lymphatic vessel endothelial receptor-1) hyaluronan binding domain in an unliganded state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Lymphatic vessel endothelial hyaluronic acid receptor 1
Authors:Ni, T, Bannerji, S, Jackson, D.J, Gilbert, R.J.C.
Deposit date:2023-04-17
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A novel sliding interaction with hyaluronan underlies the mode of action of LYVE-1, the receptor for leucocyte entry and trafficking in the lymphatics
To be published
1VID
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BU of 1vid by Molmil
CATECHOL O-METHYLTRANSFERASE
Descriptor: 3,5-DINITROCATECHOL, CATECHOL O-METHYLTRANSFERASE, MAGNESIUM ION, ...
Authors:Vidgren, J, Svensson, L.A, Liljas, A.
Deposit date:1996-01-05
Release date:1996-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of catechol O-methyltransferase.
Nature, 368, 1994
1W5G
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BU of 1w5g by Molmil
An anti-parallel four helix bundle (acetimide modification).
Descriptor: GENERAL CONTROL PROTEIN GCN4
Authors:Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R.
Deposit date:2004-08-06
Release date:2004-09-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
3TF4
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BU of 3tf4 by Molmil
ENDO/EXOCELLULASE:CELLOTRIOSE FROM THERMOMONOSPORA
Descriptor: CALCIUM ION, T. FUSCA ENDO/EXO-CELLULASE E4 CATALYTIC DOMAIN AND CELLULOSE-BINDING DOMAIN, beta-D-glucopyranose, ...
Authors:Sakon, J, Wilson, D.B, Karplus, P.A.
Deposit date:1997-05-30
Release date:1997-09-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and mechanism of endo/exocellulase E4 from Thermomonospora fusca.
Nat.Struct.Biol., 4, 1997
5WTS
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BU of 5wts by Molmil
Green fluorescent protein linked MTide-02 inhibitor in complex with mdm2
Descriptor: E3 ubiquitin-protein ligase Mdm2, GLYCEROL, Green fluorescent protein linked MTide-02, ...
Authors:Wongsantichon, J, Robinson, R.C, Ghadessy, F.J.
Deposit date:2016-12-14
Release date:2017-12-20
Last modified:2020-11-25
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:Green fluorescent protein linked peptide inhibitor PMI in complex with mdm2
To Be Published
7RE6
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BU of 7re6 by Molmil
Crystal Structure of the brown dog tick (Rhipicephalus sanguineus) Arginine Kinase in absence of substrate or ligands
Descriptor: Arginine kinase
Authors:Gomez-Yanes, A.C, Garcia-Orozco, K.D, Lopez-Zavala, A.A, Sotelo-Mundo, R.R.
Deposit date:2021-07-12
Release date:2021-11-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The Arginine Kinase from the Tick Rhipicephalus sanguineus Is an Efficient Biocatalyst
Catalysts, 12, 2022
1W5I
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BU of 1w5i by Molmil
ABA does not affect topology of pLI.
Descriptor: GENERAL CONTROL PROTEIN GCN4
Authors:Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R.
Deposit date:2004-08-07
Release date:2004-09-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
1MK7
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BU of 1mk7 by Molmil
CRYSTAL STRUCTURE OF AN INTEGRIN BETA3-TALIN CHIMERA
Descriptor: Integrin Beta3, TALIN
Authors:Garcia-Alvarez, B, De Pereda, J.M, Calderwood, D.A, Ulmer, T.S, Critchley, D, Campbell, I.D, Ginsberg, M.H, Liddington, R.C.
Deposit date:2002-08-28
Release date:2003-01-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Determinants of Integrin Recognition by Talin
Mol.Cell, 11, 2003
1QP7
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BU of 1qp7 by Molmil
PURINE REPRESSOR MUTANT-HYPOXANTHINE-PALINDROMIC OPERATOR COMPLEX
Descriptor: DNA (5'-D(*TP*AP*CP*GP*CP*AP*AP*CP*CP*GP*GP*TP*TP*GP*CP*GP*T)-3'), HYPOXANTHINE, PROTEIN (PURINE NUCLEOTIDE SYNTHESIS REPRESSOR)
Authors:Glasfeld, A, Koehler, A.N, Schumacher, M.A, Brennan, R.G.
Deposit date:1999-06-01
Release date:1999-06-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The role of lysine 55 in determining the specificity of the purine repressor for its operators through minor groove interactions.
J.Mol.Biol., 291, 1999
1QQA
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BU of 1qqa by Molmil
PURINE REPRESSOR MUTANT-HYPOXANTHINE-PALINDROMIC OPERATOR COMPLEX
Descriptor: DNA (5'-D(*TP*AP*CP*GP*CP*AP*AP*GP*CP*GP*CP*TP*TP*GP*CP*GP*T)-3'), HYPOXANTHINE, PROTEIN (PURINE NUCLEOTIDE SYNTHESIS REPRESSOR)
Authors:Glasfeld, A, Koehler, A.N, Schumacher, M.A, Brennan, R.G.
Deposit date:1999-06-01
Release date:1999-06-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:The role of lysine 55 in determining the specificity of the purine repressor for its operators through minor groove interactions.
J.Mol.Biol., 291, 1999
1QR8
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BU of 1qr8 by Molmil
INHIBITION OF HIV-1 INFECTIVITY BY THE GP41 CORE: ROLE OF A CONSERVED HYDROPHOBIC CAVITY IN MEMBRANE FUSION
Descriptor: GP41 ENVELOPE PROTEIN
Authors:Ji, H, Shu, W, Burling, F.T, Jiang, S.B, Lu, M.
Deposit date:1999-06-18
Release date:1999-11-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of human immunodeficiency virus type 1 infectivity by the gp41 core: role of a conserved hydrophobic cavity in membrane fusion.
J.Virol., 73, 1999
1QRB
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BU of 1qrb by Molmil
PLASTICITY AND STERIC STRAIN IN A PARALLEL BETA-HELIX: RATIONAL MUTATIONS IN P22 TAILSPIKE PROTEIN
Descriptor: PROTEIN (TAILSPIKE-PROTEIN)
Authors:Schuler, B, Furst, F, Osterroth, F, Steinbacher, S, Huber, R, Seckler, R.
Deposit date:1999-06-12
Release date:2000-04-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Plasticity and steric strain in a parallel beta-helix: rational mutations in the P22 tailspike protein.
Proteins, 39, 2000
1MIX
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BU of 1mix by Molmil
Crystal structure of a FERM domain of Talin
Descriptor: Talin
Authors:Garcia-Alvarez, B, de Pereda, J.M, Calderwood, D.A, Ulmer, T.S, Critchley, D, Campbell, I.D, Ginsberg, M.H, Liddington, R.C.
Deposit date:2002-08-23
Release date:2003-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural determinants of integrin recognition by talin
Mol.Cell, 11, 2003
1FEZ
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BU of 1fez by Molmil
THE CRYSTAL STRUCTURE OF BACILLUS CEREUS PHOSPHONOACETALDEHYDE HYDROLASE COMPLEXED WITH TUNGSTATE, A PRODUCT ANALOG
Descriptor: MAGNESIUM ION, PHOSPHONOACETALDEHYDE HYDROLASE, TUNGSTATE(VI)ION
Authors:Morais, M.C, Zhang, W, Baker, A.S, Zhang, G, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2000-07-24
Release date:2000-10-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structure of bacillus cereus phosphonoacetaldehyde hydrolase: insight into catalysis of phosphorus bond cleavage and catalytic diversification within the HAD enzyme superfamily.
Biochemistry, 39, 2000
1QDA
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BU of 1qda by Molmil
Crystal structure of epidoxorubicin-formaldehyde virtual crosslink of DNA
Descriptor: 4'-EPIDOXORUBICIN, 5' -D(CP*GP*CP*(G49)P*CP*GP)-3'
Authors:Podell, E.R, Harrington, D.J, Taatjes, D.J, Koch, T.H.
Deposit date:1999-05-17
Release date:1999-09-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of epidoxorubicin-formaldehyde virtual crosslink of DNA and evidence for its formation in human breast-cancer cells.
Acta Crystallogr.,Sect.D, 55, 1999
1WZY
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BU of 1wzy by Molmil
Crystal structure of human ERK2 complexed with a pyrazolopyridazine derivative
Descriptor: 1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, Mitogen-activated protein kinase 1
Authors:Kinoshita, T.
Deposit date:2005-03-10
Release date:2005-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human ERK2 complexed with a pyrazolo[3,4-c]pyridazine derivative
Bioorg.Med.Chem.Lett., 16, 2006
5LYJ
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BU of 5lyj by Molmil
Tubulin-Combretastatin A4 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Combretastatin A4, ...
Authors:Gaspari, R, Prota, A.E, Cavalli, A, Steinmetz, M.O.
Deposit date:2016-09-28
Release date:2017-01-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Structural basis of cis- and trans-combretastatin binding to tubulin
Chem, 2017
1X1V
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BU of 1x1v by Molmil
Structure Of Banana Lectin- Methyl-Alpha-Mannose Complex
Descriptor: HEXANE-1,6-DIOL, ZINC ION, lectin, ...
Authors:Singh, D.D, Saikrishnan, K, Kumar, P, Surolia, A, Sekar, K, Vijayan, M.
Deposit date:2005-04-14
Release date:2005-11-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Unusual sugar specificity of banana lectin from Musa paradisiaca and its probable evolutionary origin. Crystallographic and modelling studies
Glycobiology, 15, 2005
7UPG
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BU of 7upg by Molmil
Tau Paired Helical Filament from Alzheimer's Disease incubated with EGCG for 3 hours
Descriptor: (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, Isoform Tau-F of Microtubule-associated protein tau
Authors:Seidler, P.M, Murray, K.A, Boyer, D.R, Ge, P, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2022-04-15
Release date:2022-09-28
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure-based discovery of small molecules that disaggregate Alzheimer's disease tissue derived tau fibrils in vitro.
Nat Commun, 13, 2022
5UI4
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BU of 5ui4 by Molmil
Structure of NME1 covalently conjugated to imidazole fluorosulfate
Descriptor: 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate, Nucleoside diphosphate kinase A
Authors:Mortenson, D.E, Brighty, G.J, Wilson, I.A, Kelly, J.W.
Deposit date:2017-01-12
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:"Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates.
J. Am. Chem. Soc., 140, 2018
5LXT
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BU of 5lxt by Molmil
Tubulin-Discodermolide complex
Descriptor: (+)-Discodermolide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Prota, A.E, Steinmetz, M.O.
Deposit date:2016-09-22
Release date:2017-03-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of Microtubule Stabilization by Discodermolide.
Chembiochem, 18, 2017
1P81
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BU of 1p81 by Molmil
Crystal structure of the D181E variant of catalase HPII from E. coli
Descriptor: CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII
Authors:Chelikani, P, Carpena, X, Fita, I, Loewen, P.C.
Deposit date:2003-05-06
Release date:2003-09-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:An electrical potential in the access channel of catalases enhances catalysis
J.Biol.Chem., 278, 2003
4Z95
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BU of 4z95 by Molmil
Fab structure of antibody S1-15 in complex with ssDNA DNA, 5'-5(dT)-p-3'
Descriptor: PHOSPHATE ION, S1-15 Fab (IgG2b) heavy chain, S1-15 Fab (IgG2b) light chain
Authors:Haji-Ghassemi, O, Evans, S.V.
Deposit date:2015-04-09
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Basis for Antibody Recognition of Lipid A: INSIGHTS TO POLYSPECIFICITY TOWARD SINGLE-STRANDED DNA.
J.Biol.Chem., 290, 2015
5UTJ
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BU of 5utj by Molmil
Crystal Structure of TGT in complex with 2,6-dioxy-8-azapurine, 2,6-dioxy-8-azapurine, 2,6-dioxy-8-azapurine
Descriptor: 8-AZAXANTHINE, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Hassaan, E, Heine, A, Klebe, G.
Deposit date:2017-02-15
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
4IQH
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BU of 4iqh by Molmil
Crystal Structure Analysis of Dysferlin C2A variant 1 (C2Av1)
Descriptor: Dysferlin
Authors:Sutton, R.B, Fuson, K.L.
Deposit date:2013-01-11
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.764 Å)
Cite:Alternate Splicing of Dysferlin C2A Confers Ca(2+)-Dependent and Ca(2+)-Independent Binding for Membrane Repair.
Structure, 22, 2014

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