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4O5K
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BU of 4o5k by Molmil
Structure of human DNA polymerase complexed with N7MG in the template base paired with incoming non-hydrolyzable CTP
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*(FMG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
Authors:Koag, M.C, Lee, S.
Deposit date:2013-12-19
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.058 Å)
Cite:Transition-state destabilization reveals how human DNA polymerase beta proceeds across the chemically unstable lesion N7-methylguanine.
Nucleic Acids Res., 42, 2014
4OBO
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BU of 4obo by Molmil
MAP4K4 in complex with inhibitor (compound 22), 6-(3-CHLOROPHENYL)QUINAZOLIN-4-AMINE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(3-chlorophenyl)quinazolin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ...
Authors:Harris, S.F, Wu, P, Coons, M.
Deposit date:2014-01-07
Release date:2014-04-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
J.Med.Chem., 57, 2014
4OA8
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BU of 4oa8 by Molmil
X-ray crystal structure of O-methyltransferase from Anaplasma phagocytophilum in apo form
Descriptor: 1,2-ETHANEDIOL, O-methyltransferase family protein, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-01-03
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Plos Pathog., 11, 2015
6QVY
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BU of 6qvy by Molmil
The Transcriptional Regulator PrfA-A94V mutant from Listeria Monocytogenes
Descriptor: ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, SODIUM ION
Authors:Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E.
Deposit date:2019-03-05
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.686 Å)
Cite:A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
4UBG
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BU of 4ubg by Molmil
Resting state of rat cysteine dioxygenase C93G variant
Descriptor: Cysteine dioxygenase type 1, FE (II) ION, SODIUM ION
Authors:Fellner, M, Tchesnokov, E.P, Jameson, G.N, Wilbanks, S.M.
Deposit date:2014-08-13
Release date:2014-11-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Cys-Tyr Cross-Link of Cysteine Dioxygenase Changes the Optimal pH of the Reaction without a Structural Change.
Biochemistry, 53, 2014
2GEZ
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BU of 2gez by Molmil
Crystal structure of potassium-independent plant asparaginase
Descriptor: CHLORIDE ION, L-asparaginase alpha subunit, L-asparaginase beta subunit, ...
Authors:Michalska, K, Bujacz, G, Jaskolski, M.
Deposit date:2006-03-21
Release date:2006-07-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of plant asparaginase.
J.Mol.Biol., 360, 2006
5DBA
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BU of 5dba by Molmil
Structure of human DNA polymerase beta Host-Guest complex with the dG base paired with a dT
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*TP*CP*GP*CP*AP*TP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Koag, M.C, Lee, S.
Deposit date:2015-08-21
Release date:2015-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.965 Å)
Cite:N7 Methylation Alters Hydrogen-Bonding Patterns of Guanine in Duplex DNA.
J.Am.Chem.Soc., 137, 2015
1MDG
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BU of 1mdg by Molmil
An Alternating Antiparallel Octaplex in an RNA Crystal Structure
Descriptor: 5'-R(*UP*(BGM)GP*AP*GP*GP*U)-3', COBALT HEXAMMINE(III), SODIUM ION
Authors:Pan, B.C, Xiong, Y, Shi, K, Sundaralingam, M.
Deposit date:2002-08-07
Release date:2003-08-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:An Eight-Stranded Helical Fragment in RNA Crystal Structure: Implications for Tetraplex Interaction
Structure, 11, 2003
2XYV
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BU of 2xyv by Molmil
Crystal structure of the nsp16 nsp10 SARS coronavirus complex
Descriptor: CHLORIDE ION, MAGNESIUM ION, NON-STRUCTURAL PROTEIN 10, ...
Authors:Decroly, E, Debarnot, C, Ferron, F, Bouvet, M, Coutard, B, Imbert, I, Gluais, L, Papageorgiou, N, Ortiz-Lombardia, M, Lescar, J, Canard, B.
Deposit date:2010-11-19
Release date:2011-10-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structure and Functional Analysis of the Sars-Coronavirus RNA CAP 2'-O-Methyltransferase Nsp10/Nsp16 Complex.
Plos Pathog., 7, 2011
6Z55
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BU of 6z55 by Molmil
Crystal structure of CLK3 in complex with macrocycle ODS2004070
Descriptor: 1,2-ETHANEDIOL, 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, Dual specificity protein kinase CLK3, ...
Authors:Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-05-26
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of CLK3 in complex with macrocycle ODS2004070
To Be Published
2XRM
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BU of 2xrm by Molmil
Processed Intracellular subtilisin from B. clausii
Descriptor: CALCIUM ION, INTRACELLULAR SUBTILISIN PROTEASE, PENTAETHYLENE GLYCOL, ...
Authors:Gamble, M, Kunze, G, Dodson, E.J, Jones, D.D, Wilson, K.S.
Deposit date:2010-09-20
Release date:2011-03-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Regulation of an Intracellular Subtilisin Protease Activity by a Short Propeptide Sequence Through an Original Combined Dual Mechanism.
Proc.Natl.Acad.Sci.USA, 108, 2011
6YSU
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BU of 6ysu by Molmil
Structure of the P+0 ArfB-ribosome complex in the post-hydrolysis state
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Chan, K.-H, Petrychenko, V, Mueller, C, Maracci, C, Holtkamp, W, Wilson, D.N, Fischer, N, Rodnina, M.V.
Deposit date:2020-04-23
Release date:2020-08-19
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Mechanism of ribosome rescue by alternative ribosome-rescue factor B.
Nat Commun, 11, 2020
5D4B
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BU of 5d4b by Molmil
Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination
Descriptor: DNA (5'-D(*AP*AP*AP*AP*AP*C)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*GP*G)-3'), MAGNESIUM ION, ...
Authors:Loc'h, J, Rosario, S, Delarue, M.
Deposit date:2015-08-07
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination.
Structure, 24, 2016
5CVY
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BU of 5cvy by Molmil
The Structure of Bacillus pumilus GH48 in complex with cellobiose and cellohexaose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2015-07-27
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Natural diversity of glycoside hydrolase family 48 exoglucanases: insights from structure.
Biotechnol Biofuels, 10, 2017
5DB8
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BU of 5db8 by Molmil
Structure of human DNA polymerase beta Host-Guest complex with the N7MG base paired with a dA
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*TP*CP*GP*CP*AP*TP*AP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*(FMG)P*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Koag, M.C, Lee, S.
Deposit date:2015-08-21
Release date:2015-11-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.547 Å)
Cite:N7 Methylation Alters Hydrogen-Bonding Patterns of Guanine in Duplex DNA.
J.Am.Chem.Soc., 137, 2015
6ZJP
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BU of 6zjp by Molmil
Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E517Q
Descriptor: ACETATE ION, Beta-galactosidase, SODIUM ION
Authors:Rutkiewicz, M, Bujacz, A, Bujacz, G.
Deposit date:2020-06-29
Release date:2020-08-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 21, 2020
5DBB
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BU of 5dbb by Molmil
Structure of human DNA polymerase beta Host-Guest complex with the dG base paired with a dA
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*TP*CP*GP*CP*AP*TP*AP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Koag, M.C, Lee, S.
Deposit date:2015-08-21
Release date:2015-11-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:N7 Methylation Alters Hydrogen-Bonding Patterns of Guanine in Duplex DNA.
J.Am.Chem.Soc., 137, 2015
5DB9
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BU of 5db9 by Molmil
Structure of human DNA polymerase beta Host-Guest complex with the N7MG base paired with a dG
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*TP*CP*GP*CP*AP*TP*GP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*(FMG)P*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Koag, M.C, Lee, S.
Deposit date:2015-08-21
Release date:2015-11-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:N7 Methylation Alters Hydrogen-Bonding Patterns of Guanine in Duplex DNA.
J.Am.Chem.Soc., 137, 2015
5DGU
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BU of 5dgu by Molmil
Crystal Structure of HIV-1 Protease Inhibitors Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand GRL-004-11A
Descriptor: (3R,3aR,4S,7aS)-3-methoxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
Authors:Agniswamy, J, Wang, Y.-F, Weber, I.T.
Deposit date:2015-08-28
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands.
Org.Biomol.Chem., 13, 2015
4WCN
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BU of 4wcn by Molmil
Crystal Structure of Tripeptide bound Cell Shape Determinant Csd4 protein from Helicobacter pylori
Descriptor: Conserved hypothetical secreted protein, IODIDE ION, N-acetyl-L-alanyl-N-[(1S,5R)-5-amino-1,5-dicarboxypentyl]-D-glutamine, ...
Authors:Chan, A.C, Murphy, M.E.
Deposit date:2014-09-05
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Helical Shape of Helicobacter pylori Requires an Atypical Glutamine as a Zinc Ligand in the Carboxypeptidase Csd4.
J.Biol.Chem., 290, 2015
5DW1
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BU of 5dw1 by Molmil
X-ray crystal structure of human BRD2(BD2) in complex with RVX297 to 1.55 A resolution
Descriptor: 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, SODIUM ION
Authors:White, A, Fontano, E, Suto, R.K.
Deposit date:2015-09-22
Release date:2016-06-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:RVX-297- a novel BD2 selective inhibitor of BET bromodomains.
Biochem.Biophys.Res.Commun., 477, 2016
5DLV
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BU of 5dlv by Molmil
Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA)
Descriptor: 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Keune, W.J, Heidebrecht, T, von Castelmur, E, Joosten, R.P, Perrakis, A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling.
Nat Commun, 7, 2016
6DIA
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BU of 6dia by Molmil
DNA polymerase beta substrate complex with templating cytosine and incoming Fapy-dGTP analog
Descriptor: 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A.
Deposit date:2018-05-23
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.969 Å)
Cite:A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition.
Nucleic Acids Res., 47, 2019
6KKO
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BU of 6kko by Molmil
The crystal structure of SiaB-SiaC complex from Pseudomonas aeruginosa
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DUF1987 domain-containing protein, Putative serine phosphatase, ...
Authors:Gan, J.H, Yang, C.
Deposit date:2019-07-26
Release date:2020-06-10
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:The SiaA/B/C/D signaling network regulates biofilm formation in Pseudomonas aeruginosa.
Embo J., 39, 2020
6KFN
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BU of 6kfn by Molmil
Crystal structure of alginate lyase from Paenibacillus sp. str. FPU-7
Descriptor: IMIDAZOLE, SODIUM ION, alginate lyase
Authors:Itoh, T, Nakagawa, E, Yoda, M, Nakaichi, A, Hibi, T, Kimoto, H.
Deposit date:2019-07-08
Release date:2019-10-30
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Structural and biochemical characterisation of a novel alginate lyase from Paenibacillus sp. str. FPU-7.
Sci Rep, 9, 2019

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