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8HG1
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BU of 8hg1 by Molmil
The structure of MPXV polymerase holoenzyme in replicating state
Descriptor: DNA (25-MER), DNA (38-MER), DNA polymerase, ...
Authors:Peng, Q, Xie, Y.F, Kuai, L, Wang, H, Qi, J.X, Gao, F, Shi, Y.
Deposit date:2022-11-13
Release date:2022-12-21
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of monkeypox virus DNA polymerase holoenzyme.
Science, 379, 2023
3LXD
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BU of 3lxd by Molmil
Crystal Structure of Ferredoxin Reductase ArR from Novosphingobium aromaticivorans
Descriptor: FAD-dependent pyridine nucleotide-disulphide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z.
Deposit date:2010-02-25
Release date:2010-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444
J.Biol.Chem., 285, 2010
4OSR
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BU of 4osr by Molmil
Crystal structure of the S505K mutant of TAL effector dHax3
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*GP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-13
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.944 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
4OTG
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BU of 4otg by Molmil
Crystal Structure of PRK1 Catalytic Domain in Complex with Lestaurtinib
Descriptor: Lestaurtinib, Serine/threonine-protein kinase N1
Authors:Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2022-12-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
4OSH
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BU of 4osh by Molmil
Crystal structure of the TAL effector dHax3 with NI RVD at 2.2 angstrom resolution
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-13
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
4OTH
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BU of 4oth by Molmil
Crystal Structure of PRK1 Catalytic Domain in Complex with Ro-31-8220
Descriptor: BISINDOLYLMALEIMIDE IX, Serine/threonine-protein kinase N1
Authors:Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
5SYF
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BU of 5syf by Molmil
High-resolution cryo-EM reconstruction of Taxol-stabilized microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kellogg, E.H, Nogales, E.
Deposit date:2016-08-11
Release date:2017-02-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Insights into the Distinct Mechanisms of Action of Taxane and Non-Taxane Microtubule Stabilizers from Cryo-EM Structures.
J. Mol. Biol., 429, 2017
3AAQ
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BU of 3aaq by Molmil
Crystal structure of Lp1NTPDase from Legionella pneumophila in complex with the inhibitor ARL 67156
Descriptor: 5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-N,N-diethyladenosine, Ectonucleoside triphosphate diphosphohydrolase I
Authors:Vivian, J.P, Beddoe, T, Rossjohn, J.
Deposit date:2009-11-24
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a Legionella pneumophila Ecto -Triphosphate Diphosphohydrolase, A Structural and Functional Homolog of the Eukaryotic NTPDases
Structure, 18, 2010
8HCR
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BU of 8hcr by Molmil
Cryo-EM structure of the Mycobacterium tuberculosis cytochrome bcc:aa3 supercomplex and a novel inhibitor targeting subunit cytochrome cI
Descriptor: CYTOCHROME AA3 SUBUNIT CtaC, CYTOCHROME AA3 SUBUNIT CtaJ, Cytochrome bc1 complex Rieske iron-sulfur subunit, ...
Authors:Mathiyazakan, V, Gruber, G.
Deposit date:2022-11-02
Release date:2023-05-03
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY
Cite:Cryo-Electron Microscopy Structure of the Mycobacterium tuberculosi s Cytochrome bcc : aa 3 Supercomplex and a Novel Inhibitor Targeting Subunit Cytochrome c I.
Antimicrob.Agents Chemother., 67, 2023
5TBN
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BU of 5tbn by Molmil
Solution NMR structure of PHF20 PHD domain in complex with a histone H3K4me2 peptide
Descriptor: Histone H3.1, PHD finger protein 20, ZINC ION
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2016-09-12
Release date:2016-10-12
Last modified:2019-12-04
Method:SOLUTION NMR
Cite:PHF20 Readers Link Methylation of Histone H3K4 and p53 with H4K16 Acetylation.
Cell Rep, 17, 2016
7SA5
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BU of 7sa5 by Molmil
Two-state solution NMR structure of Apo Pin1
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Born, A, Vogeli, B.
Deposit date:2021-09-22
Release date:2021-10-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Reconstruction of Coupled Intra- and Interdomain Protein Motion from Nuclear and Electron Magnetic Resonance.
J.Am.Chem.Soc., 143, 2021
2XDJ
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BU of 2xdj by Molmil
Crystal structure of the N-terminal domain of E.coli YbgF
Descriptor: ACETATE ION, SODIUM ION, UNCHARACTERIZED PROTEIN YBGF
Authors:Krachler, A.M, Sharma, A, Kleanthous, C.
Deposit date:2010-05-04
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Tola Modulates the Oligomeric Status of Ybgf in the Bacterial Periplasm.
J.Mol.Biol., 403, 2010
1DAJ
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BU of 1daj by Molmil
COMPARISON OF TERNARY COMPLEXES OF PNEUMOCYSTIS CARINII AND WILD TYPE HUMAN DIHYDROFOLATE REDUCTASE WITH COENZYME NADPH AND A NOVEL CLASSICAL ANTITUMOR FURO[2,3D]PYRIMIDINE ANTIFOLATE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Gangjee, A, Devraj, R, Queener, S.F, Blakley, R.L.
Deposit date:1997-07-29
Release date:1997-12-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Comparison of ternary complexes of Pneumocystis carinii and wild-type human dihydrofolate reductase with coenzyme NADPH and a novel classical antitumor furo[2,3-d]pyrimidine antifolate.
Acta Crystallogr.,Sect.D, 53, 1997
8SIK
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BU of 8sik by Molmil
KCNQ1 with voltage sensor in the up conformation
Descriptor: CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 1
Authors:Mandala, V.S, MacKinnon, R.
Deposit date:2023-04-16
Release date:2023-05-31
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The membrane electric field regulates the PIP 2 -binding site to gate the KCNQ1 channel.
Proc.Natl.Acad.Sci.USA, 120, 2023
4NM3
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BU of 4nm3 by Molmil
Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
4NM0
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BU of 4nm0 by Molmil
Crystal structure of peptide inhibitor-free GSK-3/Axin complex
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
2DRC
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BU of 2drc by Molmil
INVESTIGATION OF THE FUNCTIONAL ROLE OF TRYPTOPHAN-22 IN ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE BY SITE-DIRECTED MUTAGENESIS
Descriptor: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
Authors:Brown, K.A, Kraut, J.
Deposit date:1992-06-10
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Investigation of the functional role of tryptophan-22 in Escherichia coli dihydrofolate reductase by site-directed mutagenesis.
Biochemistry, 30, 1991
6W90
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BU of 6w90 by Molmil
De novo designed NTF2 fold protein NT-9
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, NTF2 fold protein loop-helix-loop design NT-9
Authors:Thompson, M.C, Pan, X, Liu, L, Fraser, J.S, Kortemme, T.
Deposit date:2020-03-21
Release date:2020-08-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
4PDS
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BU of 4pds by Molmil
Crystal structure of Rad53 kinase domain and SCD2 in complex with AMPPNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase RAD53
Authors:Ho, C.S, Wybenga-Groot, L.E, Ceccarelli, D.F, Sicheri, F.
Deposit date:2014-04-21
Release date:2014-05-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of Rad53 kinase activation by dimerization and activation segment exchange.
Cell Signal., 26, 2014
8SAH
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BU of 8sah by Molmil
Huntingtin C-HEAT domain in complex with HAP40
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Harding, R.J, Deme, J.C, Alteen, M.G, Arrowsmith, C.H, Lea, S.M, Structural Genomics Consortium (SGC)
Deposit date:2023-03-31
Release date:2023-04-26
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Delineation of functional subdomains of Huntingtin protein and their interaction with HAP40.
Structure, 31, 2023
3M9C
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BU of 3m9c by Molmil
Crystal structure of the membrane domain of respiratory complex I from Escherichia coli
Descriptor: NADH-quinone oxidoreductase subunit NuoL, NADH-quinone oxidoreductase subunit NuoM, NADH-quinone oxidoreductase subunit NuoN, ...
Authors:Efremov, R.G, Baradaran, R, Sazanov, L.A.
Deposit date:2010-03-22
Release date:2010-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:The architecture of respiratory complex I
Nature, 465, 2010
6IG0
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BU of 6ig0 by Molmil
Type III-A Csm complex, Cryo-EM structure of Csm-CTR1, ATP bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CTR1, MAGNESIUM ION, ...
Authors:You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
Deposit date:2018-09-21
Release date:2018-12-12
Last modified:2019-01-23
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
2DPM
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BU of 2dpm by Molmil
DPNM DNA ADENINE METHYLTRANSFERASE FROM STREPTOCCOCUS PNEUMONIAE COMPLEXED WITH S-ADENOSYLMETHIONINE
Descriptor: MERCURY (II) ION, PROTEIN (ADENINE-SPECIFIC METHYLTRANSFERASE DPNII 1), S-ADENOSYLMETHIONINE
Authors:Tran, P.H, Korszun, Z.R, Cerritelli, S, Springhorn, S.S, Lacks, S.A.
Deposit date:1998-09-03
Release date:1998-12-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the DpnM DNA adenine methyltransferase from the DpnII restriction system of streptococcus pneumoniae bound to S-adenosylmethionine.
Structure, 6, 1998
6BM7
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BU of 6bm7 by Molmil
Crystal structure of Trypanosoma brucei AdoMetDC/prozyme heterodimer in complex with pyrimidineamine inhibitor UTSAM568
Descriptor: 1,4-DIAMINOBUTANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium, ...
Authors:Volkov, O.A, Chen, Z, Phillips, M.A.
Deposit date:2017-11-13
Release date:2018-01-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Species-Selective Pyrimidineamine Inhibitors of Trypanosoma brucei S-Adenosylmethionine Decarboxylase.
J. Med. Chem., 61, 2018
4MRH
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BU of 4mrh by Molmil
Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule
Descriptor: 4-chloro-5-methylbenzene-1,2-diamine, CD44 antigen, DIMETHYL SULFOXIDE
Authors:Liu, L.K, Finzel, B.
Deposit date:2013-09-17
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors.
J.Med.Chem., 57, 2014

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