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1LO5
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BU of 1lo5 by Molmil
Crystal structure of the D227A variant of Staphylococcal enterotoxin A in complex with human MHC class II
Descriptor: HLA class II histocompatibility antigen, DR alpha chain, DR-1 beta chain, ...
Authors:Petersson, K, Thunnissen, M, Forsberg, G, Walse, B.
Deposit date:2002-05-06
Release date:2002-12-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structure of a SEA Variant in Complex with MHC Class II Reveals the Ability of SEA to Crosslink MHC Molecules
Structure, 10, 2002
2RI9
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BU of 2ri9 by Molmil
Penicillium citrinum alpha-1,2-mannosidase in complex with a substrate analog
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lobsanov, Y.D, Yoshida, T, Desmet, T, Nerinckx, W, Yip, P, Claeyssens, M, Herscovics, A, Howell, P.L.
Deposit date:2007-10-10
Release date:2008-03-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Modulation of activity by Arg407: structure of a fungal alpha-1,2-mannosidase in complex with a substrate analogue.
Acta Crystallogr.,Sect.D, 64, 2008
2RI8
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BU of 2ri8 by Molmil
Penicillium citrinum alpha-1,2-mannosidase complex with glycerol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Lobsanov, Y.D, Yoshida, T, Desmet, T, Nerinckx, W, Yip, P, Claeyssens, M, Herscovics, A, Howell, P.L.
Deposit date:2007-10-10
Release date:2008-03-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Modulation of activity by Arg407: structure of a fungal alpha-1,2-mannosidase in complex with a substrate analogue.
Acta Crystallogr.,Sect.D, 64, 2008
2UWF
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BU of 2uwf by Molmil
Crystal structure of family 10 xylanase from Bacillus halodurans
Descriptor: ALKALINE ACTIVE ENDOXYLANASE, CALCIUM ION, COPPER (II) ION
Authors:Mamo, G, Thunnissen, M, Hatti-Kaul, R, Mattiasson, B.
Deposit date:2007-03-21
Release date:2008-05-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Alkaline Active Xylanase: Insights Into Mechanisms of High Ph Catalytic Adaptation
Biochimie, 91, 2009
2WW4
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BU of 2ww4 by Molmil
a triclinic crystal form of E. coli 4-diphosphocytidyl-2C-methyl-D- erythritol kinase
Descriptor: 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL
Authors:Kalinowska-Tluscik, J, Miallau, L, Gabrielsen, M, Leonard, G.A, McSweeney, S.M, Hunter, W.N.
Deposit date:2009-10-21
Release date:2010-03-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Triclinic Crystal Form of Escherichia Coli 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase and Reassessment of the Quaternary Structure.
Acta Crystallogr.,Sect.F, 66, 2010
3DN5
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BU of 3dn5 by Molmil
Aldose Reductase in complex with novel biarylic inhibitor
Descriptor: 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Klebe, G.
Deposit date:2008-07-01
Release date:2009-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Based Optimization of Aldose Reductase Inhibitors Originating from Virtual Screening
Chemmedchem, 4, 2009
2K37
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BU of 2k37 by Molmil
CsmA
Descriptor: Chlorosome Protein A
Authors:Pedersen, M, Dittmer, J, Underhaug, J, Miller, M, Nielsen, N.C.
Deposit date:2008-04-23
Release date:2008-09-02
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:The three-dimensional structure of CsmA: A small antenna protein from the green sulfur bacterium Chlorobium tepidum.
Febs Lett., 582, 2008
2POX
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BU of 2pox by Molmil
Dark state structure of the reversibly switchable fluorescent protein Dronpa
Descriptor: Fluorescent protein Dronpa
Authors:Trowitzsch, S, Weber, G, Wahl, M.C.
Deposit date:2007-04-27
Release date:2007-07-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.946 Å)
Cite:Structural basis for reversible photoswitching in Dronpa
Proc.Natl.Acad.Sci.Usa, 104, 2007
8GCD
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BU of 8gcd by Molmil
Full length Integrin AlphaIIbBeta3 in inactive state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Huo, T, Wu, H, Wang, Z.
Deposit date:2023-03-01
Release date:2024-03-06
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Full-length alpha IIb beta 3 cryo-EM structure reveals intact integrin initiate-activation intrinsic architecture.
Structure, 32, 2024
8GCE
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BU of 8gce by Molmil
The Extracellular Domain of Integrin AlphaIIbBeta3 in Intermediate State
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Huo, T, Wu, H, Wang, Z.
Deposit date:2023-03-01
Release date:2024-03-06
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Full-length alpha IIb beta 3 cryo-EM structure reveals intact integrin initiate-activation intrinsic architecture.
Structure, 32, 2024
6XIM
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BU of 6xim by Molmil
PROTEIN ENGINEERING OF XYLOSE (GLUCOSE) ISOMERASE FROM ACTINOPLANES MISSOURIENSIS. 1. CRYSTALLOGRAPHY AND SITE-DIRECTED MUTAGENESIS OF METAL BINDING SITES
Descriptor: D-XYLOSE ISOMERASE, D-xylose, MAGNESIUM ION
Authors:Janin, J.
Deposit date:1992-04-03
Release date:1993-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Protein engineering of xylose (glucose) isomerase from Actinoplanes missouriensis. 1. Crystallography and site-directed mutagenesis of metal binding sites.
Biochemistry, 31, 1992
6YO6
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BU of 6yo6 by Molmil
Structure of iC3b1
Descriptor: hC3Nb1, iC3b1 alpha chain, iC3b1 beta chain
Authors:Jensen, R.K, Andersen, G.R.
Deposit date:2020-04-14
Release date:2021-02-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (6 Å)
Cite:Complement Receptor 3 Forms a Compact High-Affinity Complex with iC3b.
J Immunol., 206, 2021
7P2D
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BU of 7p2d by Molmil
Structure of alphaMbeta2/Cd11bCD18 headpiece in complex with a nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Jensen, R.K, Andersen, G.R.
Deposit date:2021-07-05
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into the function-modulating effects of nanobody binding to the integrin receptor alpha M beta 2.
J.Biol.Chem., 298, 2022
6RC9
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BU of 6rc9 by Molmil
P1 Mycoplasma pneumoniae
Descriptor: Adhesin P1
Authors:Vizarraga, D, Aparicio, D, Illanes, R, Fita, I.
Deposit date:2019-04-11
Release date:2020-11-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
1W9N
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BU of 1w9n by Molmil
Isolation and characterization of epilancin 15X, a novel antibiotic from a clinical strain of Staphylococcus epidermidis
Descriptor: EPILANCIN 15X
Authors:Ekkelenkamp, M, Hanssen, M.G.M, Hsu, S.-T.D, de Jong, A, Milatovic, D, Verhoef, J, van Nuland, N.A.J.
Deposit date:2004-10-14
Release date:2005-04-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Isolation and structural characterization of epilancin 15X, a novel lantibiotic from a clinical strain of Staphylococcus epidermidis.
FEBS Lett., 579, 2005
6R7D
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BU of 6r7d by Molmil
Crystal structure of LTC4S in complex with AZ13690257
Descriptor: (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ...
Authors:Kack, H, Ek, M.
Deposit date:2019-03-28
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
J.Med.Chem., 62, 2019
2YC3
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BU of 2yc3 by Molmil
Inhibitors of the herbicidal target IspD
Descriptor: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one, ...
Authors:Hoeffken, H.W.
Deposit date:2011-03-11
Release date:2011-08-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
4UX9
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BU of 4ux9 by Molmil
Crystal structure of JNK1 bound to a MKK7 docking motif
Descriptor: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 7, MITOGEN-ACTIVATED PROTEIN KINASE 8, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Kragelj, J, Palencia, A, Nanao, M.H, Maurin, D, Bouvignies, G, Blackledge, M, Ringkjobing-Jensen, M.
Deposit date:2014-08-20
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure and Dynamics of the Mkk7-Jnk Signaling Complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
6DCW
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BU of 6dcw by Molmil
Crystal structure of human anti-tau antibody CBTAU-27.1 Fab in complex with a human tau peptide
Descriptor: Heavy chain of CBTAU27.1 Fab, Light chain of CBTAU27.1 Fab, tau peptide
Authors:Zhu, X, Zhang, H, Wilson, I.A.
Deposit date:2018-05-08
Release date:2018-06-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
2G9U
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BU of 2g9u by Molmil
The crystal structure of glycogen phosphorylase in complex with (3R,4R,5R)-5-hydroxymethyl-1-(3-phenylpropyl)-piperidine-3,4-diol and phosphate
Descriptor: (3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL, Glycogen phosphorylase, muscle form, ...
Authors:Oikonomakos, N.G, Tiraidis, C, Leonidas, D.D, Zographos, S.E.
Deposit date:2006-03-07
Release date:2007-01-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Iminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition.
J.Med.Chem., 49, 2006
2G9V
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BU of 2g9v by Molmil
The crystal structure of glycogen phosphorylase in complex with (3R,4R,5R)-5-hydroxymethylpiperidine-3,4-diol and phosphate
Descriptor: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, Glycogen phosphorylase, muscle form, ...
Authors:Oikonomakos, N.G, Tiraidis, C, Leonidas, D.D, Zographos, S.E.
Deposit date:2006-03-07
Release date:2007-01-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Iminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition.
J.Med.Chem., 49, 2006
2G9R
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BU of 2g9r by Molmil
The crystal structure of glycogen phosphorylase b in complex with (3R,4R,5R)-5-hydroxymethyl-1-(3-phenylpropyl)-piperidine-3,4-diol
Descriptor: (3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL, Glycogen phosphorylase, muscle form
Authors:Oikonomakos, N.G, Tiraidis, C, Leonidas, D.D, Zographos, S.E.
Deposit date:2006-03-07
Release date:2007-01-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Iminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition.
J.Med.Chem., 49, 2006
5W6W
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BU of 5w6w by Molmil
Designing Higher Resolution Self-Assembled 3D DNA Crystals via Strand Terminus Modifications
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Hernandez, C, Birktoft, J.J, Seeman, N.C.
Deposit date:2017-06-17
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Designing Higher Resolution Self-Assembled 3D DNA Crystals via Strand Terminus Modifications
To Be Published
4OYJ
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BU of 4oyj by Molmil
Structure of the apo HOIP PUB domain
Descriptor: E3 ubiquitin-protein ligase RNF31, SULFATE ION
Authors:Elliott, P.R, Komander, D.
Deposit date:2014-02-12
Release date:2014-05-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular Basis and Regulation of OTULIN-LUBAC Interaction.
Mol.Cell, 54, 2014
5LAB
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BU of 5lab by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
Authors:Ravera, E, Calderone, V, Luchinat, C.
Deposit date:2016-06-14
Release date:2016-08-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:First-principles calculation of pseudo-contact shifts in a paramagnetic metalloprotein
To Be Published

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