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5SPS
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BU of 5sps by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00012962804 - (S) isomer
Descriptor: (3S)-6,6-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)piperidine-3-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SPV
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BU of 5spv by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250003774401
Descriptor: 2-[methyl-[(9-oxidanylidene-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl)carbonyl]amino]ethanoic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SPQ
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BU of 5spq by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00014134848 - (R) isomer
Descriptor: (3R)-1-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SPW
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BU of 5spw by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00004674769 - (R,S,R) isomer
Descriptor: (1R,5S,6R)-3-(7H-purin-6-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
3F6N
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BU of 3f6n by Molmil
Crystal structure of the virion-associated protein P3 from Caulimovirus
Descriptor: Virion-associated protein
Authors:Hoh, F, Uzest, M, Blanc, S, Dumas, C.
Deposit date:2008-11-06
Release date:2009-11-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into the molecular mechanisms of cauliflower mosaic virus transmission by its insect vector.
J.Virol., 84, 2010
3EZH
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BU of 3ezh by Molmil
Crystal Structure of the E. coli Histidine Kinase NarX Sensor Domain in Complex with Nitrate
Descriptor: NITRATE ION, Nitrate/nitrite sensor protein narX
Authors:Cheung, J, Hendrickson, W.A.
Deposit date:2008-10-22
Release date:2008-12-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Analysis of Ligand Stimulation of the Histidine Kinase NarX.
Structure, 17, 2009
3F8C
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BU of 3f8c by Molmil
Crystal structure of multidrug binding transcriptional regulator LmrR complexed with Hoechst 33342
Descriptor: 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, Transcriptional regulator, PadR-like family
Authors:Madoori, P.K, Agustiandari, H, Driessen, A.J.M, Thunnissen, A.-M.W.H.
Deposit date:2008-11-12
Release date:2008-12-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the transcriptional regulator LmrR and its mechanism of multidrug recognition.
Embo J., 28, 2009
2RFX
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BU of 2rfx by Molmil
Crystal Structure of HLA-B*5701, presenting the self peptide, LSSPVTKSF
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Archbold, J.K, Macdonald, W.A, Rossjohn, J, McCluskey, J.
Deposit date:2007-10-02
Release date:2008-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human leukocyte antigen class I-restricted activation of CD8+ T cells provides the immunogenetic basis of a systemic drug hypersensitivity
Immunity, 28, 2008
2RGI
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BU of 2rgi by Molmil
Crystal structure of Ca2+-free S100A2 at 1.6 A resolution
Descriptor: ISOPROPYL ALCOHOL, Protein S100-A2, SODIUM ION
Authors:Koch, M, Diez, J, Fritz, G.
Deposit date:2007-10-03
Release date:2008-01-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of Ca2+ -free S100A2 at 1.6-A resolution.
J.Mol.Biol., 378, 2008
2RGR
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BU of 2rgr by Molmil
Topoisomerase IIA bound to G-segment DNA
Descriptor: DNA, DNA topoisomerase 2, MAGNESIUM ION
Authors:Dong, K.C, Berger, J.M.
Deposit date:2007-10-04
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for gate-DNA recognition and bending by type IIA topoisomerases.
Nature, 450, 2007
4HMD
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BU of 4hmd by Molmil
Crystal structure of cold-adapted chitinase from Moritella marina with a reaction intermediate - oxazolinium ion (NGO)
Descriptor: 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 60, ...
Authors:Malecki, P.H, Vorgias, C.E, Raczynska, J.E, Rypniewski, W.
Deposit date:2012-10-18
Release date:2013-05-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure of a complete four-domain chitinase from Moritella marina, a marine psychrophilic bacterium
Acta Crystallogr.,Sect.D, 69, 2013
4HNM
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BU of 4hnm by Molmil
Crystal structure of human catenin-beta-like 1 56 kDa fragment
Descriptor: Beta-catenin-like protein 1
Authors:Du, Z, Huang, X, Wang, G, Wu, Y.
Deposit date:2012-10-19
Release date:2013-07-31
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (2.9001 Å)
Cite:The structure of full-length human CTNNBL1 reveals a distinct member of the armadillo-repeat protein family.
Acta Crystallogr.,Sect.D, 69, 2013
4HIL
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BU of 4hil by Molmil
1.25A Resolution Structure of Rat Type B Cytochrome b5
Descriptor: Cytochrome b5 type B, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION
Authors:Lovell, S, Battaile, K.P, Parthasarathy, S, Sun, N, Terzyan, S, Zhang, X, Rivera, M, Kuczera, K, Benson, D.R.
Deposit date:2012-10-11
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:1.25A Resolution Structure of Rat Type B Cytochrome b5
To be Published
4HIX
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BU of 4hix by Molmil
Crystal structure of a humanised 3D6 Fab bound to amyloid beta peptide
Descriptor: Beta-amyloid protein 40, Humanized 3D6 Fab heavy chain, Humanized 3D6 Fab light chain
Authors:Miles, L.A, Crespi, G.A.N, Parker, M.W.
Deposit date:2012-10-12
Release date:2013-03-13
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Bapineuzumab captures the N-terminus of the Alzheimer's disease amyloid-beta peptide in a helical conformation.
Sci Rep, 3, 2013
2RIE
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BU of 2rie by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with 2-deoxy-L-glycero-D-manno-heptose
Descriptor: 2-deoxy-beta-L-galacto-heptopyranose, CALCIUM ION, Pulmonary surfactant-associated protein D
Authors:Wang, H, Head, J, Kosma, P, Sheikh, S, McDonald, B, Smith, K, Cafarella, T, Seaton, B, Crouch, E.
Deposit date:2007-10-10
Release date:2008-01-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Biochemistry, 47, 2008
4HJC
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BU of 4hjc by Molmil
Crystal structure of glycoprotein C from Rift Valley Fever Virus (non-glycosylated)
Descriptor: ENVELOPE GLYCOPROTEIN
Authors:Dessau, M, Modis, Y.
Deposit date:2012-10-12
Release date:2013-01-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (4.15 Å)
Cite:Crystal structure of glycoprotein C from Rift Valley fever virus.
Proc.Natl.Acad.Sci.USA, 110, 2013
3F6Z
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BU of 3f6z by Molmil
Crystal structure of Pseudomonas aeruginosa MliC in complex with hen egg white lysozyme
Descriptor: Lysozyme C, Putative uncharacterized protein
Authors:Ha, N.C, Yum, S.
Deposit date:2008-11-07
Release date:2008-12-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the recognition of lysozyme by MliC, a periplasmic lysozyme inhibitor in Gram-negative bacteria.
Biochem.Biophys.Res.Commun., 378, 2009
2RJ6
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BU of 2rj6 by Molmil
B-specific alpha-1,3-galactosyltransferase G176R S235G mutant (AABB) + H-antigen disaccharide
Descriptor: Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
Authors:Evans, S.V, Alfaro, J.A.
Deposit date:2007-10-14
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
2RJ5
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BU of 2rj5 by Molmil
B-specific alpha-1,3-galactosyltransferase G176R S235G mutant (AABB) +UDP
Descriptor: GLYCEROL, Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, ...
Authors:Evans, S.V, Alfaro, J.A.
Deposit date:2007-10-14
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
4HKB
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BU of 4hkb by Molmil
CH67 Fab (unbound) from the CH65-67 Lineage
Descriptor: CH67 heavy chain, CH67 light chain
Authors:Schmidt, A.G, Harrison, S.C.
Deposit date:2012-10-15
Release date:2012-11-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
2RKJ
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BU of 2rkj by Molmil
Cocrystal structure of a tyrosyl-tRNA synthetase splicing factor with a group I intron RNA
Descriptor: RNA (238-MER), RNA (5'-R(P*GP*CP*UP*U)-3'), Tyrosyl-tRNA synthetase
Authors:Paukstelis, P.J, Chen, J.-H, Chase, E, Lambowitz, A.M, Golden, B.L.
Deposit date:2007-10-16
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Structure of a tyrosyl-tRNA synthetase splicing factor bound to a group I intron RNA.
Nature, 451, 2008
4HKL
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BU of 4hkl by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A)
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Langan, P, Wan, Q, Coates, L, Kovalevsky, A.
Deposit date:2012-10-15
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
4HP3
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BU of 4hp3 by Molmil
Crystal structure of Tet3 in complex with a CpG dsDNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), LOC100036628 protein, UNKNOWN ATOM OR ION, ...
Authors:Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-10-23
Release date:2012-12-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012
4HTI
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BU of 4hti by Molmil
Crystallographic structure of the membrane-proximal ectodomain of the human receptor-type protein-tyrosine phosphatase phogrin
Descriptor: Receptor-type tyrosine-protein phosphatase N2
Authors:Noguera, M.E, Jakoncic, J, Poskus, E, Ermacora, M.R.
Deposit date:2012-11-01
Release date:2012-11-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:X-ray structure of the mature ectodomain of phogrin.
J.Struct.Funct.Genom., 16, 2015
4HTQ
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BU of 4htq by Molmil
Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 6.70 x 10e+11 X-ray photons
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Duke, N.E.C, Finfrock, Y.Z, Stern, E.Z, Alkire, R.W, Lazarski, K, Joachimiak, A.
Deposit date:2012-11-01
Release date:2013-05-15
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Mitigation of X-ray damage in macromolecular crystallography by submicrometre line focusing.
Acta Crystallogr.,Sect.D, 69, 2013

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