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4X33
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BU of 4x33 by Molmil
Structure of the Elongator cofactor complex Kti11/Kti13 at 1.45A
Descriptor: 1,2-DIMETHOXYETHANE, CHLORIDE ION, Diphthamide biosynthesis protein 3, ...
Authors:Kolaj-Robin, O, McEwen, A.G, Cavarelli, J, Seraphin, B.
Deposit date:2014-11-27
Release date:2015-01-21
Last modified:2015-03-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of the Elongator cofactor complex Kti11/Kti13 provides insight into the role of Kti13 in Elongator-dependent tRNA modification.
Febs J., 282, 2015
5TED
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BU of 5ted by Molmil
Effector binding domain of QuiR in complex with shikimate
Descriptor: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, His Tag peptide, Lmo0488 protein
Authors:Prezioso, S.M, Christendat, D.
Deposit date:2016-09-21
Release date:2017-10-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.889 Å)
Cite:Shikimate Induced Transcriptional Activation of Protocatechuate Biosynthesis Genes by QuiR, a LysR-Type Transcriptional Regulator, in Listeria monocytogenes.
J. Mol. Biol., 430, 2018
5T4B
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BU of 5t4b by Molmil
Human DPP4 in complex with a ligand 34a
Descriptor: 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]-3H-imidazo[2,1-b]purin-4(5H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2016-08-29
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors.
Bioorg.Med.Chem., 24, 2016
2OQ6
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BU of 2oq6 by Molmil
Crystal structure of JMJD2A complexed with histone H3 peptide trimethylated at Lys9
Descriptor: JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors:Pilka, E.S, Ng, S.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-01-31
Release date:2007-03-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
4WZ8
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BU of 4wz8 by Molmil
Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 6
Descriptor: 1'-(2H-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one, Acetyl-CoA carboxylase
Authors:Vajdos, F.F.
Deposit date:2014-11-18
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes.
J.Med.Chem., 57, 2014
6B7B
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BU of 6b7b by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 5-methoxy-2-methyl-1H-indole
Descriptor: 5-methoxy-2-methyl-1H-indole, DIMETHYL SULFOXIDE, PYROPHOSPHATE 2-, ...
Authors:Proudfoot, A.W, Bussiere, D, Lingel, A.
Deposit date:2017-10-03
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
4X5X
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BU of 4x5x by Molmil
HLA-DR1 mutant bN82A with covalently linked CLIP106-120(M107W)
Descriptor: HLA class II histocompatibility antigen, DR alpha chain, DRB1-1 beta chain
Authors:Guenther, S, Freund, C.
Deposit date:2014-12-06
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.199 Å)
Cite:MHC class II complexes sample intermediate states along the peptide exchange pathway.
Nat Commun, 7, 2016
6B7J
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BU of 6b7j by Molmil
The crystal structure of 3-hydroxydecanoyl-(acyl carrier protein) dehydratase from Vibrio cholerae O1 biovar eltor str. N16961
Descriptor: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, FORMIC ACID
Authors:Tan, K, Gu, M, Nocek, B, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-10-04
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:The crystal structure of 3-hydroxydecanoyl-(acyl carrier protein) dehydratase from Vibrio cholerae O1 biovar eltor str. N16961
To Be Published
6B8G
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BU of 6b8g by Molmil
Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid
Descriptor: CALCIUM ION, FE (III) ION, Ferritin heavy chain
Authors:Zhang, L, Bailey, J.B, Subramanian, R, Tezcan, F.A.
Deposit date:2017-10-07
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks.
Nature, 557, 2018
2OQ7
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BU of 2oq7 by Molmil
The crystal structure of JMJD2A complexed with Ni and N-oxalylglycine
Descriptor: JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors:Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-01-31
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
4WZM
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BU of 4wzm by Molmil
Mutant K18E of RNA dependent RNA polymerase from Foot-and-Mouth Disease Virus complexed with RNA
Descriptor: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Verdaguer, N, Ferrer-Orta, C, de la Higuera, N.
Deposit date:2014-11-20
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
4WZS
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BU of 4wzs by Molmil
Crystal structure of the Mot1 N-terminal domain in complex with TBP and NC2 bound to a promoter DNA fragment
Descriptor: DNA (5'-D(P*CP*CP*AP*CP*CP*CP*CP*CP*TP*TP*TP*TP*AP*TP*AP*GP*CP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*GP*CP*TP*AP*TP*AP*AP*AP*AP*GP*GP*GP*GP*GP*TP*GP*G)-3'), ECU04_1440 protein, ...
Authors:Butryn, A, Hopfner, K.-P.
Deposit date:2014-11-20
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.78 Å)
Cite:Structural basis for recognition and remodeling of the TBP:DNA:NC2 complex by Mot1.
Elife, 4, 2015
6B9Y
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BU of 6b9y by Molmil
Trastuzumab Fab v3 in complex with 5-phenyl meditope variant
Descriptor: Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain, ...
Authors:Bzymek, K.P, King, J.D, Williams, J.C.
Deposit date:2017-10-11
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag.
Bioconjug. Chem., 29, 2018
4X06
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BU of 4x06 by Molmil
Crystal structure of P domain from norovirus strain Saga4 in complex with HBGA type B (triglycan)
Descriptor: ACETATE ION, VP1, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2014-11-20
Release date:2014-12-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.218 Å)
Cite:Human noroviruses' fondness for histo-blood group antigens.
J.Virol., 89, 2015
2OQV
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BU of 2oqv by Molmil
Human Dipeptidyl Peptidase IV (DPP4) with piperidine-constrained phenethylamine
Descriptor: (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV)
Authors:Pei, Z, Li, X, von Geldern, T.W, Longenecker, K.L, Pireh, D, Stewart, K.D.
Deposit date:2007-02-01
Release date:2007-04-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
5TWS
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BU of 5tws by Molmil
Post-catalytic complex of human Polymerase Mu (H329A) with newly incorporated UTP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2016-11-14
Release date:2017-07-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
2OSU
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BU of 2osu by Molmil
Probable glutaminase from Bacillus subtilis complexed with 6-diazo-5-oxo-L-norleucine
Descriptor: 6-DIAZENYL-5-OXO-L-NORLEUCINE, Glutaminase 1
Authors:Kim, Y, Dementieva, I, Vinokour, E, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-02-06
Release date:2007-03-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The structure of probable glutaminase from B. subtilis complexed with its inhibitor 6-diazo-5-oxo-L-norleucine
To be Published
4WQK
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BU of 4wqk by Molmil
Crystal structure of aminoglycoside nucleotidylyltransferase ANT(2")-Ia, apo form
Descriptor: 2''-aminoglycoside nucleotidyltransferase, CHLORIDE ION, GLYCEROL, ...
Authors:Cox, G, Stogios, P.J, Savchenko, A, Wright, G.D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-10-22
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Structural and Molecular Basis for Resistance to Aminoglycoside Antibiotics by the Adenylyltransferase ANT(2)-Ia.
Mbio, 6, 2015
4WW5
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BU of 4ww5 by Molmil
Crystal structure of binary complex Bud32-Cgi121 in complex with AMPP
Descriptor: ACETATE ION, EKC/KEOPS complex subunit BUD32, EKC/KEOPS complex subunit CGI121, ...
Authors:Zhang, W.
Deposit date:2014-11-10
Release date:2015-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex.
Nucleic Acids Res., 43, 2015
2OV2
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BU of 2ov2 by Molmil
The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Ugochukwu, E, Yang, X, Elkins, J.M, Burgess-Brown, N, Bunkoczi, G, Debreczeni, J.E.D, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-02-12
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4)
To be Published
6BF7
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BU of 6bf7 by Molmil
Cryo-EM structure of human insulin degrading enzyme in complex with FAB H11-E heavy chain, FAB H11-E light chain
Descriptor: Fab H11-E heavy chain, Fab H11-E light chain, Insulin-degrading enzyme
Authors:Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J.
Deposit date:2017-10-26
Release date:2018-02-07
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
6BFY
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BU of 6bfy by Molmil
Crystal structure of enolase from Escherichia coli with bound 2-phosphoglycerate substrate
Descriptor: 2-PHOSPHOGLYCERIC ACID, Enolase, GLYCEROL, ...
Authors:Erlandsen, H, Wright, D, Krucinska, J.
Deposit date:2017-10-27
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens.
Biochemistry, 58, 2019
4WW9
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BU of 4ww9 by Molmil
Crystal structure of binary complex Bud32-Cgi121 in complex with ADP
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, EKC/KEOPS complex subunit BUD32, ...
Authors:Zhang, W, Van Tilbeurgh, H.
Deposit date:2014-11-10
Release date:2015-03-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex.
Nucleic Acids Res., 43, 2015
6BEW
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BU of 6bew by Molmil
Solution structure of de novo macrocycle design7.2
Descriptor: (DHI)P(DAS)(DGN)(DSN)(DGL)P
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
4WWM
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BU of 4wwm by Molmil
X-ray crystal structure of Sulfolobus solfataricus Urm1
Descriptor: SULFATE ION, Uncharacterized protein
Authors:Bray, S.M, Anjum, S.R, Blackwood, J.K, Kilkenny, M.L, Coelho, M.A, Foster, B.M, Pellegrini, L, Robinson, N.P.
Deposit date:2014-11-11
Release date:2015-09-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Involvement of a eukaryotic-like ubiquitin-related modifier in the proteasome pathway of the archaeon Sulfolobus acidocaldarius.
Nat Commun, 6, 2015

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