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PDB: 1351 results
7MR9
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BU of 7mr9 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to NC-II-153
Descriptor: 1,2-ETHANEDIOL, 2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one, Bromodomain-containing protein 4
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MRA
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BU of 7mra by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to NC-II-259
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MRH
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BU of 7mrh by Molmil
Crystal structure of the first bromodomain (BD1) of human BRDT bound to NC-II-259
Descriptor: Bromodomain testis-specific protein, N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MRG
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BU of 7mrg by Molmil
Crystal structure of the first bromodomain (BD1) of human BRDT bound to NC-II-153
Descriptor: 1,2-ETHANEDIOL, 2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one, Bromodomain testis-specific protein, ...
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
5I0W
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BU of 5i0w by Molmil
IRON AND COPPER-BOUND P19 FROM CAMPYLOBACTER JEJUNI UNDER REDUCING CONDITIONS
Descriptor: CHLORIDE ION, COPPER (I) ION, FE (II) ION, ...
Authors:Chan, A.C, Murphy, M.E.
Deposit date:2016-02-04
Release date:2017-02-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A copper site is required for iron transport by the periplasmic proteins P19 and FetP.
Metallomics, 12, 2020
4XOO
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BU of 4xoo by Molmil
FMN complex of coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain)
Descriptor: Coenzyme F420:L-glutamate ligase, FLAVIN MONONUCLEOTIDE
Authors:Rehan, A.M, Bashiri, G, Baker, H.M, Baker, E.N, Squire, C.J.
Deposit date:2015-01-16
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
8D27
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BU of 8d27 by Molmil
Arginase Domain of Ornithine Decarboxylase/Arginase from Fusobacterium nucleatum
Descriptor: Arginase
Authors:Chan, A.C, Kolesnikov, M, Murphy, M.E.
Deposit date:2022-05-27
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sequence Divergence in the Arginase Domain of Ornithine Decarboxylase/Arginase in Fusobacteriacea Leads to Loss of Function in Oral Associated Species.
Biochemistry, 61, 2022
4XOQ
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BU of 4xoq by Molmil
F420 complex of coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain)
Descriptor: COENZYME F420, Coenzyme F420:L-glutamate ligase, SULFATE ION
Authors:Rehan, A.M, Bashiri, G, Baker, H.M, Baker, E.N, Squire, C.J.
Deposit date:2015-01-16
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
5TW3
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BU of 5tw3 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a Non-nucleoside Inhibitor
Descriptor: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
Authors:Chan, A.H, Anderson, K.S.
Deposit date:2016-11-11
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.853 Å)
Cite:Structural and Preclinical Studies of Computationally Designed Non-Nucleoside Reverse Transcriptase Inhibitors for Treating HIV infection.
Mol. Pharmacol., 91, 2017
4XOM
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BU of 4xom by Molmil
Coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain).
Descriptor: Coenzyme F420:L-glutamate ligase, SULFATE ION
Authors:Rehan, A.M, Bashiri, G, Baker, H.M, Baker, E.N, Squire, C.J.
Deposit date:2015-01-16
Release date:2016-02-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
5CKW
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BU of 5ckw by Molmil
Crystal structure of LegK4_AMPPNP Kinase
Descriptor: CALCIUM ION, LegK4, MAGNESIUM ION, ...
Authors:Flayhan, A, Terradot, L.
Deposit date:2015-07-15
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The structure of Legionella pneumophila LegK4 type four secretion system (T4SS) effector reveals a novel dimeric eukaryotic-like kinase.
Sci Rep, 5, 2015
6VIT
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BU of 6vit by Molmil
The Crystal Structure of Apo Domain-Swapped dimer Q108K:T51D:I32C Variant of HCRBPII with an Engineered Disulfide Bond
Descriptor: Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-01-13
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
3JSP
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BU of 3jsp by Molmil
Classic Protein With a New Twist: crystal structure of a LexA repressor DNA complex
Descriptor: DNA (5'-D(*TP*AP*TP*AP*CP*TP*GP*TP*AP*TP*GP*CP*GP*CP*AP*TP*AP*CP*AP*GP*TP*A)-3'), LexA repressor
Authors:Zhang, A.P.P, Pigli, Y.Z, Rice, P.A.
Deposit date:2009-09-10
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the LexA-DNA complex and implications for SOS box measurement.
Nature, 466, 2010
5C25
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BU of 5c25 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 6-((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-5,7-dimethyl-2-naphthonitrile (JLJ639), a Non-nucleoside Inhibitor
Descriptor: 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7- dimethyl-2-naphthonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
Authors:Chan, A.H, Frey, K.M, Anderson, K.S.
Deposit date:2015-06-15
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.841 Å)
Cite:Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 25, 2015
6VIS
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BU of 6vis by Molmil
The Crystal Structure of Domain-Swapped Trimer Q108K:K40D:T53A:R58L:Q38F:Q4F:V62E Variant of HCRBPII
Descriptor: GLYCEROL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-01-13
Release date:2020-09-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
5CLR
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BU of 5clr by Molmil
Crystal structure of LegK4_APO Kinase
Descriptor: LegK4
Authors:Flayhan, A, Terradot, L.
Deposit date:2015-07-16
Release date:2015-10-14
Method:X-RAY DIFFRACTION (3.706 Å)
Cite:The structure of Legionella pneumophila LegK4 type four secretion system (T4SS) effector reveals a novel dimeric eukaryotic-like kinase.
Sci Rep, 5, 2015
8T4C
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BU of 8t4c by Molmil
Membrane-associated thioredoxin oxidoreductase FetE from Campylobacter jejuni
Descriptor: GLYCEROL, SULFATE ION, Thioredoxin oxidoreductase
Authors:Chan, A.C, Murphy, M.E.
Deposit date:2023-06-09
Release date:2023-08-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Dissecting components of the Campylobacter jejuni fetMP-fetABCDEF gene cluster in iron scavenging.
Biorxiv, 2023
8EBZ
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BU of 8ebz by Molmil
Crystal Structure of GMPPNP-bound KRAS-G13D mutant at 1.2 Ang resolution
Descriptor: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Chan, A.H, Simanshu, D.K.
Deposit date:2022-08-31
Release date:2023-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D .
Commun Biol, 6, 2023
3JSO
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BU of 3jso by Molmil
Classic Protein With a New Twist: crystal structure of a LexA repressor DNA complex
Descriptor: DNA (5'-D(*TP*AP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*A)-3'), LexA repressor
Authors:Zhang, A.P.P, Pigli, Y.Z, Rice, P.A.
Deposit date:2009-09-10
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure of the LexA-DNA complex and implications for SOS box measurement.
Nature, 466, 2010
6WNF
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BU of 6wnf by Molmil
The Crystal Structure of Apo Domain-Swapped Dimer Q108K:K40D:T53A:R58L:Q38F:Q4F:F57H Variant of HCRBPII
Descriptor: ACETATE ION, GLYCEROL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-04-22
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
8TB1
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BU of 8tb1 by Molmil
Solution NMR structure of a RiPP proteusin precursor protein
Descriptor: NHLP leader peptide family natural product, tumor homing peptide 1 (TH1) substrate chimera
Authors:McShan, A.C, Vinayak, A, Nguyen, N.A.
Deposit date:2023-06-28
Release date:2024-02-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Disordered regions in proteusin peptides guide post-translational modification by a flavin-dependent RiPP brominase.
Nat Commun, 15, 2024
5UOS
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BU of 5uos by Molmil
Crystal Structure of CblC (MMACHC) (1-238), a human B12 processing enzyme, complexed with an Antivitamin B12
Descriptor: 1-ethynyl-2,4-difluorobenzene, 2-PHENYLAMINO-ETHANESULFONIC ACID, COBALAMIN, ...
Authors:Shanmuganathan, A, Karasik, A, Ruetz, M, Banerjee, R, Krautler, B, Koutmos, M.
Deposit date:2017-02-01
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Antivitamin B12 Inhibition of the Human B12 -Processing Enzyme CblC: Crystal Structure of an Inactive Ternary Complex with Glutathione as the Cosubstrate.
Angew. Chem. Int. Ed. Engl., 56, 2017
3K3R
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BU of 3k3r by Molmil
Unrefined crystal structure of a LexA-DNA complex
Descriptor: DNA (28-MER), LexA repressor
Authors:Zhang, A.P.P, Pigli, Y.Z, Rice, P.A.
Deposit date:2009-10-04
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of the LexA-DNA complex and implications for SOS box measurement.
Nature, 466, 2010
6WP1
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BU of 6wp1 by Molmil
The Crystal Structure of Apo Domain-Swapped Trimer Q108K:K40L:T51K Variant of HCRBPII
Descriptor: ACETATE ION, GLYCEROL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-04-26
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
6WP0
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BU of 6wp0 by Molmil
The Crystal Structure of Domain-Swapped Trimer Q108K:T51D variant of HCRBPII
Descriptor: ACETATE ION, GLYCEROL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-04-26
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020

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