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4HPH
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BU of 4hph by Molmil
The crystal structure of isomaltulose synthase mutant E295Q from Erwinia rhapontici NX5 in complex with its natural substrate sucrose
Descriptor: CALCIUM ION, GLYCEROL, Sucrose isomerase, ...
Authors:Xu, Z, Li, S, Xu, H, Zhou, J.
Deposit date:2012-10-23
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structural Basis of Erwinia rhapontici Isomaltulose Synthase
Plos One, 8, 2013
5RZ7
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BU of 5rz7 by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z57472297
Descriptor: 1,2-ETHANEDIOL, 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:EPB41L3 PanDDA analysis group deposition
To Be Published
2XZS
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BU of 2xzs by Molmil
Death associated protein kinase 1 residues 1-312
Descriptor: DEATH ASSOCIATED KINASE 1, MAGNESIUM ION
Authors:Yumerefendi, H, Mas, P.J, Dordevic, N, McCarthy, A.A, Hart, D.J.
Deposit date:2010-11-29
Release date:2011-12-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Death-Associated Protein Kinase Activity is Regulated by Coupled Calcium/Calmodulin Binding to Two Distinct Sites.
Structure, 24, 2016
3THJ
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BU of 3thj by Molmil
Crystal structure of the Co2+2-HAI-L-Orn complex
Descriptor: Arginase-1, COBALT (II) ION, L-ornithine
Authors:D'Antonio, E.L, Christianson, D.W.
Deposit date:2011-08-19
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of complexes with cobalt-reconstituted human arginase I.
Biochemistry, 50, 2011
7F5H
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BU of 7f5h by Molmil
The crystal structure of RBD-Nanobody complex, DL28 (SC4)
Descriptor: GLYCEROL, Nanobody DL28, PHOSPHATE ION, ...
Authors:Luo, Z.P, Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Characterization of a Neutralizing Nanobody With Broad Activity Against SARS-CoV-2 Variants.
Front Microbiol, 13, 2022
5RYY
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BU of 5ryy by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z57257264
Descriptor: 1,2-ETHANEDIOL, 1-(3-phenylprop-2-yn-1-yl)piperidine, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:EPB41L3 PanDDA analysis group deposition
To Be Published
3TFH
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BU of 3tfh by Molmil
DMSP-dependent demethylase from P. ubique - apo
Descriptor: GLYCEROL, GcvT-like Aminomethyltransferase protein, SODIUM ION
Authors:Schuller, D.J, Reisch, C.R, Moran, M.A, Whitman, W.B, Lanzilotta, W.N.
Deposit date:2011-08-15
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of dimethylsulfoniopropionate-dependent demethylase from the marine organism Pelagabacter ubique.
Protein Sci., 21, 2012
3OKI
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BU of 3oki by Molmil
Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide
Descriptor: (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-25
Release date:2010-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia & diabetes
Bioorg.Med.Chem.Lett., 21, 2010
5RZU
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BU of 5rzu by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z32400357
Descriptor: 1,2-ETHANEDIOL, 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:EPB41L3 PanDDA analysis group deposition
To Be Published
2Y4V
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BU of 2y4v by Molmil
CRYSTAL STRUCTURE OF HUMAN CALMODULIN IN COMPLEX WITH A DAP KINASE-1 MUTANT (W305Y) PEPTIDE
Descriptor: CALCIUM ION, CALMODULIN, DEATH-ASSOCIATED PROTEIN KINASE 1,
Authors:de Diego, I, Lehmann, F, Wilmanns, M.
Deposit date:2011-01-11
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Journey Through the Dap Kinase Architecture
To be Published
1E3U
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BU of 1e3u by Molmil
MAD structure of OXA10 class D beta-lactamase
Descriptor: 1,2-ETHANEDIOL, BETA-LACTAMASE OXA-10, GOLD (I) CYANIDE ION, ...
Authors:Maveyraud, L, Golemi, D, Kotra, L.P, Tranier, S, Vakulenko, S, Mobashery, S, Samama, J.P.
Deposit date:2000-06-23
Release date:2001-01-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Insights Into Class D Beta-Lactamases are Revealed by the Crystal Structure of the Oxa10 Enzyme from Pseudomonas Aeruginosa
Structure, 8, 2000
3P3U
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BU of 3p3u by Molmil
Human transthyretin (TTR) complexed with 5-(2-ethoxyphenyl)-3-(pyridin-4-yl)-1,2,4-oxadiazole
Descriptor: 4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2010-10-05
Release date:2011-08-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Potent kinetic stabilizers that prevent transthyretin-mediated cardiomyocyte proteotoxicity.
Sci Transl Med, 3, 2011
4RHL
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BU of 4rhl by Molmil
Crystal structure of T. brucei arginase-like protein triple mutant S149D/R151H/S226D bound with Mn2+
Descriptor: Arginase, GLYCEROL, MANGANESE (II) ION
Authors:Hai, Y, Barrett, M.P, Christianson, D.W.
Deposit date:2014-10-02
Release date:2014-12-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of an Arginase-like Protein from Trypanosoma brucei That Evolved without a Binuclear Manganese Cluster.
Biochemistry, 54, 2015
4BXN
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BU of 4bxn by Molmil
Eg5(WT) complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ...
Authors:Talapatra, S.K, Anthony, N.G, Mackay, S.P, Kozielski, F.
Deposit date:2013-07-15
Release date:2013-07-31
Last modified:2025-10-01
Method:X-RAY DIFFRACTION (2.793 Å)
Cite:The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism.
J.Med.Chem., 56, 2013
3ORN
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BU of 3orn by Molmil
Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP
Descriptor: 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Lukacs, C.M, Janson, C, Schuck, V, Belunis, C.
Deposit date:2010-09-07
Release date:2011-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
3Q20
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BU of 3q20 by Molmil
Crystal structure of RbcX C103A mutant from Thermosynechococcus elongatus
Descriptor: ACETATE ION, HEXANE-1,6-DIOL, RbcX protein
Authors:Tarnawski, M, Krzywda, S, Szczepaniak, A, Jaskolski, M.
Deposit date:2010-12-19
Release date:2011-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure of the RuBisCO chaperone RbcX from the thermophilic cyanobacterium Thermosynechococcus elongatus
Acta Crystallogr.,Sect.F, 67, 2011
7LN9
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BU of 7ln9 by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 1
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-06
Release date:2022-02-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
4JZS
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BU of 4jzs by Molmil
Crystal structure of the Bacillus subtilis pyrophosphohydrolase BsRppH (E68A mutant)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, dGTP pyrophosphohydrolase
Authors:Piton, J, Larue, V, Thillier, Y, Dorleans, A, Pellegrini, O, Li de la Sierra-Gallay, I, Vasseur, J.J, Debart, F, Tisne, C, Condon, C.
Deposit date:2013-04-03
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bacillus subtilis RNA deprotection enzyme RppH recognizes guanosine in the second position of its substrates.
Proc.Natl.Acad.Sci.USA, 110, 2013
1DPW
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BU of 1dpw by Molmil
STRUCTURE OF HEN EGG-WHITE LYSOZYME IN COMPLEX WITH MPD
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Weiss, M.S, Palm, G.J, Hilgenfeld, R.
Deposit date:1999-12-28
Release date:2000-01-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystallization, structure solution and refinement of hen egg-white lysozyme at pH 8.0 in the presence of MPD.
Acta Crystallogr.,Sect.D, 56, 2000
3ABX
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BU of 3abx by Molmil
CcCel6C, a glycoside hydrolase family 6 enzyme, complexed with p-nitrophenyl beta-D-cellotrioside
Descriptor: 4-nitrophenyl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside, Cellobiohydrolase, MAGNESIUM ION
Authors:Liu, Y, Yoshida, M, Kurakata, Y, Miyazaki, T, Nishikawa, A, Tonozuka, T.
Deposit date:2009-12-24
Release date:2010-01-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of a glycoside hydrolase family 6 enzyme, CcCel6C, a cellulase constitutively produced by Coprinopsis cinerea
Febs J., 277, 2010
3AJ7
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BU of 3aj7 by Molmil
Crystal Structure of isomaltase from Saccharomyces cerevisiae
Descriptor: CALCIUM ION, Oligo-1,6-glucosidase
Authors:Yamamoto, K, Miyake, H, Kusunoki, M, Osaki, S.
Deposit date:2010-05-26
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structures of isomaltase from Saccharomyces cerevisiae and in complex with its competitive inhibitor maltose
Febs J., 277, 2010
5T27
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BU of 5t27 by Molmil
mPI3Kd IN COMPLEX WITH 5d
Descriptor: 3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{S})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L.
Deposit date:2016-08-23
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
7LLP
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BU of 7llp by Molmil
X-ray radiation damage series on Lysozyme at 277K, crystal structure, dataset 1
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-04
Release date:2022-02-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
2PX5
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BU of 2px5 by Molmil
Crystal structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase domain in complex with SAH (Orthorhombic crystal form)
Descriptor: Genome polyprotein [Contains: Capsid protein C (Core protein); Envelope protein M (Matrix protein); Major envelope protein E; Non-structural protein 1 (NS1); Non-structural protein 2A (NS2A); Flavivirin protease NS2B regulatory subunit; Flavivirin protease NS3 catalytic subunit; Non-structural protein 4A (NS4A); Non-structural protein 4B (NS4B); RNA-directed RNA polymerase (EC 2.7.7.48) (NS5)], S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION
Authors:Assenberg, R, Ren, J, Verma, A, Walter, T.S, Alderton, D, Hurrelbrink, R.J, Fuller, S.D, Owens, R.J, Stuart, D.I, Grimes, J.M, Oxford Protein Production Facility (OPPF)
Deposit date:2007-05-14
Release date:2007-05-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the Murray Valley encephalitis virus NS5 methyltransferase domain in complex with cap analogues.
J.Gen.Virol., 88, 2007
2PYQ
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BU of 2pyq by Molmil
Crystal structure of a duf2853 member protein (jann_4075) from jannaschia sp. ccs1 at 1.500 A resolution
Descriptor: TETRAETHYLENE GLYCOL, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-05-16
Release date:2007-05-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of uncharacterized protein (YP_512017.1) from Jannaschia sp. CCS1 at 1.500 A resolution
To be published

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