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7CTL
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BU of 7ctl by Molmil
Crystal structure of NADH bound holo form of alpha-glucuronidase (TM0752) from Thermotoga maritima at 1.97 Angstrom resolution
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alpha-glucosidase, putative
Authors:Manoj, N, Mohapatra, B.S.
Deposit date:2020-08-19
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis of catalysis and substrate recognition by the NAD(H)-dependent alpha-d-glucuronidase from the glycoside hydrolase family 4.
Biochem.J., 478, 2021
7CVW
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BU of 7cvw by Molmil
Crystal structure of Catechol o-methyl transferase (COMT) from Niastella koreensis
Descriptor: GLYCEROL, MAGNESIUM ION, O-methyltransferase family 3, ...
Authors:Kim, B, Lee, S.H, Kim, K.-J.
Deposit date:2020-08-27
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural and Biochemical analysis of FumaraseC from Mannheimia succiniciproducens
To Be Published
4U80
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BU of 4u80 by Molmil
MEK 1 kinase bound to G799
Descriptor: 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Ultsch, M.H, Robarge, K.D, Weismann, C.
Deposit date:2014-07-31
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
4UDF
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BU of 4udf by Molmil
STRUCTURAL BASIS OF HUMAN PARECHOVIRUS NEUTRALIZATION BY HUMAN MONOCLONAL ANTIBODIES
Descriptor: HUMAN MONOCLONAL ANTIBODY, Protein VP0, Protein VP3
Authors:Shakeel, S, Westerhuis, B.M, Ora, A, Koen, G, Bakker, A.Q, Claassen, Y, Beaumont, T, Wolthers, K.C, Butcher, S.J.
Deposit date:2014-12-10
Release date:2015-07-22
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Structural Basis of Human Parechovirus Neutralization by Human Monoclonal Antibodies.
J. Virol., 89, 2015
4TZ2
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BU of 4tz2 by Molmil
Fragment-Based Screening of the Bromodomain of ATAD2
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline, ATPase family AAA domain-containing protein 2, ...
Authors:Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W.
Deposit date:2014-07-09
Release date:2014-10-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment-Based Screening of the Bromodomain of ATAD2.
J.Med.Chem., 57, 2014
4TYL
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BU of 4tyl by Molmil
Fragment-Based Screening of the Bromodomain of ATAD2
Descriptor: 5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ...
Authors:Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W.
Deposit date:2014-07-08
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-Based Screening of the Bromodomain of ATAD2.
J.Med.Chem., 57, 2014
4UB3
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BU of 4ub3 by Molmil
DNA polymerase beta closed product complex with a templating cytosine and 8-oxodGMP, 60 s
Descriptor: 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*(8OG))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
Authors:Freudenthal, B.D, Wilson, S.H, Beard, W.A.
Deposit date:2014-08-11
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
4UBB
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BU of 4ubb by Molmil
DNA polymerase beta reactant complex with a templating cytosine and incoming 8-oxodGTP, 40 s
Descriptor: 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*(8OG))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
Authors:Freudenthal, B.D, Wilson, S.H, Beard, W.A.
Deposit date:2014-08-12
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
4U64
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BU of 4u64 by Molmil
Structure of the periplasmic output domain of the Legionella pneumophila LapD ortholog CdgS9 in the apo state
Descriptor: Two component histidine kinase, GGDEF domain protein/EAL domain protein
Authors:Chatterjee, D, Cooley, R.B, Boyd, C.D, Mehl, R.A, O'Toole, G.A, Sondermann, H.S.
Deposit date:2014-07-27
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Mechanistic insight into the conserved allosteric regulation of periplasmic proteolysis by the signaling molecule cyclic-di-GMP.
Elife, 3, 2014
4UAQ
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BU of 4uaq by Molmil
Crystal structure of the accessory translocation ATPase, SecA2, from Mycobacterium tuberculosis
Descriptor: Protein translocase subunit SecA 2
Authors:Swanson-Smith, S, Ioerger, T.R, Rigel, N.W, Miller, B.K, Braunstein, M, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2014-08-11
Release date:2015-09-09
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Similarities and Differences between Two Functionally Distinct SecA Proteins, Mycobacterium tuberculosis SecA1 and SecA2.
J.Bacteriol., 198, 2015
4UE4
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BU of 4ue4 by Molmil
Structural basis for targeting and elongation arrest of Bacillus signal recognition particle
Descriptor: 6S RNA, FTSQ SIGNAL SEQUENCE, SIGNAL RECOGNITION PARTICLE PROTEIN
Authors:Beckert, B, Kedrov, A, Sohmen, D, Kempf, G, Wild, K, Sinning, I, Stahlberg, H, Wilson, D.N, Beckmann, R.
Deposit date:2014-12-15
Release date:2015-09-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Translational Arrest by a Prokaryotic Signal Recognition Particle is Mediated by RNA Interactions.
Nat.Struct.Mol.Biol., 22, 2015
4UAY
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BU of 4uay by Molmil
DNA polymerase beta product complex with a templating adenine and inserted 8-oxodGMP, 40 s
Descriptor: 5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*(8OG))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
Authors:Freudenthal, B.D, Wilson, S.H, Beard, W.A.
Deposit date:2014-08-11
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
4UB4
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BU of 4ub4 by Molmil
DNA polymerase beta substrate complex with a templating cytosine and incoming dGTP, 0 s
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', ...
Authors:Freudenthal, B.D, Wilson, S.H, Beard, W.A.
Deposit date:2014-08-11
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
4UAW
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BU of 4uaw by Molmil
DNA polymerase beta substrate complex with a templating adenine and incoming 8-oxodGTP, 0 s
Descriptor: 5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
Authors:Freudenthal, B.D, Wilson, S.H, Beard, W.A.
Deposit date:2014-08-11
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
4UB5
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BU of 4ub5 by Molmil
DNA polymerase beta substrate complex with a templating cytosine, incoming 8-oxodGTP, and Mn2+, 5 s
Descriptor: 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
Authors:Freudenthal, B.D, Wilson, S.H, Beard, W.A.
Deposit date:2014-08-11
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
4UMM
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BU of 4umm by Molmil
The Cryo-EM structure of the palindromic DNA-bound USP-EcR nuclear receptor reveals an asymmetric organization with allosteric domain positioning
Descriptor: 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, 5'-D(*CP*AP*AP*GP*GP*GP*TP*TP*CP*AP*AP*TP*GP*CP *AP*CP*TP*TP*GP*TP)-3', 5'-D(*DGP*AP*CP*AP*AP*GP*TP*GP*CP*AP*TP*TP*GP*DAP *AP*CP*CP*CP*TP*T)-3', ...
Authors:Maletta, M, Orlov, I, Moras, D, Billas, I.M.L, Klaholz, B.P.
Deposit date:2014-05-19
Release date:2014-06-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (11.6 Å)
Cite:The Palindromic DNA-Bound Usp-Ecr Nuclear Receptor Adopts an Asymmetric Organization with Allosteric Domain Positioning.
Nat.Commun., 5, 2014
4ULX
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BU of 4ulx by Molmil
Crystal structure of ancestral thioredoxin, relative to the last common ancestor of the Cyanobacterial, Deinococcus and Thermus groups, LPBCA-L89K mutant.
Descriptor: CHLORIDE ION, LPBCA-L89K THIOREDOXIN
Authors:Gavira, J.A, Risso, V.A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2014-05-14
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mutational Studies on Resurrected Ancestral Proteins Reveal Conservation of Site-Specific Amino Acid Preferences Throughout Evolutionary History.
Mol.Biol.Evol., 32, 2015
4UB2
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BU of 4ub2 by Molmil
DNA polymerase beta product complex with a templating cytosine and 8-oxodGMP, 120 s
Descriptor: 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*(8OG))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
Authors:Freudenthal, B.D, Wilson, S.H, Beard, W.A.
Deposit date:2014-08-11
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
4UB1
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BU of 4ub1 by Molmil
DNA polymerase beta product complex with a templating adenine and 8-oxodGMP, 90 s
Descriptor: 5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*(8OG))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
Authors:Freudenthal, B.D, Wilson, S.H, Beard, W.A.
Deposit date:2014-08-11
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
4ULL
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BU of 4ull by Molmil
SOLUTION NMR STRUCTURE OF VEROTOXIN-1 B-SUBUNIT FROM E. COLI, 5 STRUCTURES
Descriptor: Shiga toxin 1B
Authors:Richardson, J.M, Evans, P.D, Homans, S.W, Donohue-Rolfe, A.
Deposit date:1996-12-17
Release date:1997-04-01
Last modified:2019-12-11
Method:SOLUTION NMR
Cite:Solution structure of the carbohydrate-binding B-subunit homopentamer of verotoxin VT-1 from E. coli.
Nat.Struct.Biol., 4, 1997
4UCT
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BU of 4uct by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UPL
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BU of 4upl by Molmil
Dimeric sulfatase SpAS2 from Silicibacter pomeroyi
Descriptor: SULFATASE FAMILY PROTEIN, ZINC ION
Authors:Jonas, S, van Loo, B, Hollfelder, F, Hyvonen, M.
Deposit date:2014-06-17
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.805 Å)
Cite:Balancing Specificity and Promiscuity in Enzyme Evolution: Multidimensional Activity Transitions in the Alkaline Phosphatase Superfamily.
J.Am.Chem.Soc., 141, 2019
4UPI
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BU of 4upi by Molmil
Dimeric sulfatase SpAS1 from Silicibacter pomeroyi
Descriptor: SULFATASE FAMILY PROTEIN, ZINC ION
Authors:Jonas, S, van Loo, B, Hollfelder, F, Hyvonen, M.
Deposit date:2014-06-17
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Balancing Specificity and Promiscuity in Enzyme Evolution: Multidimensional Activity Transitions in the Alkaline Phosphatase Superfamily.
J.Am.Chem.Soc., 141, 2019
5AID
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BU of 5aid by Molmil
Crystal structure of the Mep2 mutant delta442 from Candida albicans
Descriptor: MEP2
Authors:van den Berg, B, Chembath, A, Rutherford, J.
Deposit date:2015-02-12
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural Basis for Mep2 Ammonium Transceptor Activation by Phosphorylation.
Nat.Commun., 7, 2016
4UCU
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BU of 4ucu by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015

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