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6WW1
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BU of 6ww1 by Molmil
Crystal structure of the LmFPPS mutant E97Y
Descriptor: 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ...
Authors:Maheshwari, S, Kim, Y.S, Gabelli, S.B.
Deposit date:2020-05-07
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
2VJV
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BU of 2vjv by Molmil
Crystal structure of the IS608 transposase in complex with left end 26-mer DNA hairpin and a 6-mer DNA representing the left end cleavage site
Descriptor: 5'-D(*DA*DA*DA*DG*DC*DC*DC*DC*DT*DA*DG*DC*DTP*DT *DT*DT*DA*DG*DC*DT*DA*DT*DG*DG*DG*DGP)-3', 5'-D(*DT*DA*DT*DT*DA*DCP)-3', MAGNESIUM ION, ...
Authors:Barabas, O, Ronning, D.R, Guynet, C, Hickman, A.B, Ton-Hoang, B, Chandler, M, Dyda, F.
Deposit date:2007-12-13
Release date:2008-02-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection.
Cell(Cambridge,Mass.), 132, 2008
3I6G
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BU of 3i6g by Molmil
Newly identified epitope Mn2 from SARS-CoV M protein complexed withHLA-A*0201
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Liu, J.
Deposit date:2009-07-07
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:The membrane protein of severe acute respiratory syndrome coronavirus acts as a dominant immunogen revealed by a clustering region of novel functionally and structurally defined cytotoxic T-lymphocyte epitopes.
J.INFECT.DIS., 202, 2010
3HN1
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BU of 3hn1 by Molmil
Crystal structure of HCR/T complexed with GT2 and lactose
Descriptor: N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid, SULFATE ION, Tetanus toxin, ...
Authors:Chen, C, Fu, Z, Kim, J.-J.P, Barbieri, J.T, Baldwin, M.R.
Deposit date:2009-05-29
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Gangliosides as high affinity receptors for tetanus neurotoxin.
J.Biol.Chem., 284, 2009
3DVB
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BU of 3dvb by Molmil
X-ray crystal structure of mutant N62V human Carbonic Anhydrase II
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Avvaru, B.S.
Deposit date:2008-07-18
Release date:2008-11-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Role of hydrophilic residues in proton transfer during catalysis by human carbonic anhydrase II.
Biochemistry, 47, 2008
6RCO
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BU of 6rco by Molmil
PfRH5-binding monoclonal antibody R5.004
Descriptor: ACETATE ION, GLYCEROL, R5.004 heavy chain, ...
Authors:Alanine, D.G.W, Draper, S.J, Higgins, M.K.
Deposit date:2019-04-11
Release date:2019-06-26
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
3HOR
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BU of 3hor by Molmil
Structure of the actin-binding domain of human filamin A (reduced)
Descriptor: Filamin-A, PHOSPHATE ION
Authors:Clark, A.R, Sawyer, G.M, Robertson, S.P, Sutherland-Smith, A.J.
Deposit date:2009-06-03
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Skeletal dysplasias due to filamin A mutations result from a gain-of-function mechanism distinct from allelic neurological disorders
Hum.Mol.Genet., 18, 2009
3FVH
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BU of 3fvh by Molmil
Polo-like kinase 1 Polo box domain in complex with Ac-LHSpTA-NH2 peptide
Descriptor: Acetyl-Leu-His-Ser-phosphoThr-Ala-NH2 peptide, Serine/threonine-protein kinase PLK1
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2009-01-15
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1
Nat.Struct.Mol.Biol., 16, 2009
4IB1
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BU of 4ib1 by Molmil
Structure of cAMP dependent protein kinase A in complex with high K+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, POTASSIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-12-11
Last modified:2014-05-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
4HWZ
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BU of 4hwz by Molmil
Structure of HLA-A68 complexed with an HIV derived peptide
Descriptor: 9-mer peptide from Pol protein, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Niu, L, Cheng, H, Zhang, S, Tan, S, Zhang, Y, Qi, J, Liu, J, Gao, G.F.
Deposit date:2012-11-09
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Structural basis for the differential classification of HLA-A*6802 and HLA-A*6801 into the A2 and A3 supertypes
Mol.Immunol., 55, 2013
3JTT
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BU of 3jtt by Molmil
Cystal structure of Rhesus macaque MHC class I:Mamu-A*02
Descriptor: Beta-2-microglobulin, MHC class I Mamu-A*02, peptide of Protein Nef
Authors:Dai, L, Feng, Y, Qi, J, Gao, G.F.
Deposit date:2009-09-14
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Rhesus macaque MHC class I:Mamu-A*02
To be Published
6TRF
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BU of 6trf by Molmil
Chaetomium thermophilum UDP-Glucose Glucosyl Transferase (UGGT) purified from cells treated with kifunensine.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, UDP-glucose-glycoprotein glucosyltransferase-like protein, ...
Authors:Roversi, P, Zitzmann, N.
Deposit date:2019-12-18
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.106 Å)
Cite:Clamping, bending, and twisting inter-domain motions in the misfold-recognizing portion of UDP-glucose: Glycoprotein glucosyltransferase.
Structure, 29, 2021
3JZP
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BU of 3jzp by Molmil
Human MDMX liganded with a 12mer peptide inhibitor (pDI6W)
Descriptor: POTASSIUM ION, Protein Mdm4, pDI6W peptide (12mer)
Authors:Schonbrunn, E, Phan, J.
Deposit date:2009-09-24
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
6UXU
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BU of 6uxu by Molmil
X-ray Crystal Structure of Chlorothalonil Dehalogenase: Analyzing the Catalytic Mechanism of Hydrolytic Dehalogenation
Descriptor: Chlorothalonil hydrolytic dehalogenase, ZINC ION
Authors:Catlin, D.S, Liu, D.
Deposit date:2019-11-08
Release date:2020-05-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:Structural basis for the hydrolytic dehalogenation of the fungicide chlorothalonil.
J.Biol.Chem., 295, 2020
6TRH
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BU of 6trh by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with 3(3)-alpha-L-arabinofuranosyl-xylotetraose.
Descriptor: Reducing-end xylose-releasing exo-oligoxylanase Rex8A, alpha-L-arabinofuranose-(1-3)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-12-18
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
6TRO
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BU of 6tro by Molmil
Crystal structure of the T-cell receptor GVY01 bound to HLA A2*01-GVYDGREHTV
Descriptor: Beta-2-microglobulin, MAGE-A4 peptide (amino acids 230-239), MHC class I antigen, ...
Authors:Coles, C.H, McMurran, C, Lloyd, A, Hibbert, L, Lupardus, P.J, Cole, D.K, Harper, S.
Deposit date:2019-12-19
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:T cell receptor interactions with human leukocyte antigen govern indirect peptide selectivity for the cancer testis antigen MAGE-A4.
J.Biol.Chem., 295, 2020
6TRU
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BU of 6tru by Molmil
Crystal structure of the N-terminal half of the TFIIH subunit p52
Descriptor: RNA polymerase II transcription factor B subunit 2
Authors:Koelmel, W, Kuper, J, Schoenwetter, E, Kisker, C.
Deposit date:2019-12-19
Release date:2020-10-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:How to limit the speed of a motor: the intricate regulation of the XPB ATPase and translocase in TFIIH.
Nucleic Acids Res., 48, 2020
6TS2
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BU of 6ts2 by Molmil
Truncated version of Chaetomium thermophilum UDP-Glucose Glucosyl Transferase (UGGT) lacking domain TRXL2 (417-650).
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, UDP-glucose-glycoprotein glucosyltransferase-like protein,UDP-glucose-glycoprotein glucosyltransferase-like protein, ...
Authors:Roversi, P, Zitzmann, N.
Deposit date:2019-12-19
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (5.74 Å)
Cite:Clamping, bending, and twisting inter-domain motions in the misfold-recognizing portion of UDP-glucose: Glycoprotein glucosyltransferase.
Structure, 29, 2021
6V3P
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BU of 6v3p by Molmil
The BIgI domain of beta protein from S. agalactiae bound to CEACAM1
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, IgA FC receptor, ...
Authors:Bonsor, D.A, McCarthy, A.J.
Deposit date:2019-11-26
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Bacterial protein domains with a novel Ig-like fold target human CEACAM receptors.
Embo J., 40, 2021
3GA3
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BU of 3ga3 by Molmil
Crystal structure of the C-terminal domain of human MDA5
Descriptor: Interferon-induced helicase C domain-containing protein 1, MDA5, ZINC ION
Authors:Li, P.
Deposit date:2009-02-16
Release date:2009-02-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of the C-terminal domain of human MDA5
To be Published
6V2T
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BU of 6v2t by Molmil
X-ray structure of a sugar N-formyltransferase from Shewanella sp FDAARGOS_354
Descriptor: 1,2-ETHANEDIOL, FOLIC ACID, PHOSPHATE ION, ...
Authors:Girardi, N.M, Thoden, J.B, Holden, H.M.
Deposit date:2019-11-25
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Misannotations of the genes encoding sugar N-formyltransferases.
Protein Sci., 29, 2020
6TQB
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BU of 6tqb by Molmil
X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE1 SL RNA motif
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A.
Deposit date:2019-12-16
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
6V8N
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BU of 6v8n by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17
Descriptor: (2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
Authors:Gardberg, A.S, Wilson, J.E.
Deposit date:2019-12-11
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
3GCO
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BU of 3gco by Molmil
Crystal structure of DegS H198P/D320A mutant modified by DFP in complex with DNRDGNVYQF OMP peptide
Descriptor: DNRDGNVYQF peptide, Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2009-02-22
Release date:2009-03-31
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:OMP peptides activate the DegS stress-sensor protease by a relief of inhibition mechanism.
Structure, 17, 2009
6TSH
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BU of 6tsh by Molmil
Beta-galactosidase in complex with deoxygalacto-nojirimycin
Descriptor: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-galactosidase, MAGNESIUM ION
Authors:Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
Deposit date:2019-12-20
Release date:2020-01-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020

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