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5IOR
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BU of 5ior by Molmil
Flavin-dependent thymidylate synthase in complex with FAD and 2'-deoxyuridine-5'-monosulfate
Descriptor: 2'-deoxy-5'-O-sulfouridine, FLAVIN-ADENINE DINUCLEOTIDE, RIBOFLAVIN, ...
Authors:Bernard, S.M, Stull, F.W, Smith, J.L.
Deposit date:2016-03-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
8FRT
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BU of 8frt by Molmil
X-ray crystal structure of the N-terminal region from HCMV US11 binding to HLA-A*02:01
Descriptor: GLYCEROL, Unique short US11 glycoprotein, Beta-2-microglobulin, ...
Authors:Watson, G.M, Berry, R, Rossjohn, J.
Deposit date:2023-01-08
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Diverse cytomegalovirus US11 antagonism and MHC-A evasion strategies reveal a tit-for-tat coevolutionary arms race in hominids.
Proc.Natl.Acad.Sci.USA, 121, 2024
5IOZ
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BU of 5ioz by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-(cyclopentylmethyl)cyclopentanecarboxamide at 2.02A resolution
Descriptor: N-(cyclopentylmethyl)cyclopentanecarboxamide, TetR-family transcriptional regulatory repressor protein
Authors:Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L.
Deposit date:2016-03-09
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
7VIQ
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BU of 7viq by Molmil
Crystal structure of Au(50EQ)-apo-R168H/L169C-rHLFr
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ...
Authors:Lu, C, Peng, X, Maity, B, Ito, N, Abe, S, Ueno, T, Lu, D.
Deposit date:2021-09-27
Release date:2022-06-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of a gold clustering site in an engineered apo-ferritin cage.
Commun Chem, 5, 2022
5IP6
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BU of 5ip6 by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-((tetrahydrofuran-3-yl)methyl)pyrrolidine-1-carboxamide at 1.93A resolution
Descriptor: N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide, TetR-family transcriptional regulatory repressor protein
Authors:Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L.
Deposit date:2016-03-09
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
8FTQ
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BU of 8ftq by Molmil
Crystal structure of hRpn13 Pru domain in complex with Ubiquitin and XL44
Descriptor: N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide, Proteasomal ubiquitin receptor ADRM1, Ubiquitin
Authors:Walters, K.J, Lu, X, Chandravanshi, M.
Deposit date:2023-01-13
Release date:2024-03-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A structure-based designed small molecule depletes hRpn13 Pru and a select group of KEN box proteins.
Nat Commun, 15, 2024
8FU4
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BU of 8fu4 by Molmil
HCMV US11 peptide binding to HLA-A*02:01
Descriptor: Beta-2-microglobulin, CADMIUM ION, GLYCEROL, ...
Authors:Watson, G.M, Berry, R, Littler, D.R, Rossjohn, J.
Deposit date:2023-01-16
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Diverse cytomegalovirus US11 antagonism and MHC-A evasion strategies reveal a tit-for-tat coevolutionary arms race in hominids.
Proc.Natl.Acad.Sci.USA, 121, 2024
7VIS
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BU of 7vis by Molmil
Crystal structure of Au(200EQ)-apo-R168H/L169C-rHLFr
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
Authors:Lu, C, Peng, X, Maity, B, Ito, N, Abe, S, Ueno, T, Lu, D.
Deposit date:2021-09-27
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design of a gold clustering site in an engineered apo-ferritin cage.
Commun Chem, 5, 2022
7VIT
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BU of 7vit by Molmil
Crystal structure of Au(400EQ)-apo-R168H/L169C-rHLFr
Descriptor: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
Authors:Lu, C, Peng, X, Maity, B, Ito, N, Abe, S, Ueno, T, Lu, D.
Deposit date:2021-09-27
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of a gold clustering site in an engineered apo-ferritin cage.
Commun Chem, 5, 2022
8FKE
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BU of 8fke by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR32904
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR32904
To Be Published
5IQF
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BU of 5iqf by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of APH(6')-Ie/APH(2'')-Ia) in complex with GDP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, GLYCEROL, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
8FKD
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BU of 8fkd by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33068
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33068
To Be Published
8FKF
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BU of 8fkf by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR36706
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide, GLYCEROL, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR36706
To Be Published
8FKC
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BU of 8fkc by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33544
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33544
To Be Published
7VIR
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BU of 7vir by Molmil
Crystal structure of Au(100EQ)-apo-R168H/L169C-rHLFr
Descriptor: CADMIUM ION, Ferritin light chain, GOLD ION, ...
Authors:Lu, C, Peng, X, Maity, B, Ito, N, Abe, S, Ueno, T, Lu, D.
Deposit date:2021-09-27
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of a gold clustering site in an engineered apo-ferritin cage.
Commun Chem, 5, 2022
8FKG
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BU of 8fkg by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33486
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide, GLYCEROL, ...
Authors:MacTavish, B.S, Kojetin, D.J.
Deposit date:2022-12-21
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33486
To Be Published
5IT2
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BU of 5it2 by Molmil
Structure of a transglutaminase 2-specific autoantibody 693-10-B06 Fab fragment
Descriptor: heavy chain, light chain
Authors:Chen, X, Dalhus, B, Hnida, K, Iversen, R, Sollid, L.M.
Deposit date:2016-03-16
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High abundance of plasma cells secreting transglutaminase 2-specific IgA autoantibodies with limited somatic hypermutation in celiac disease intestinal lesions
Nat. Med., 18, 2012
8FM6
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BU of 8fm6 by Molmil
Dri1 hemoprotein variant H21A with a zinc-mirror heme site
Descriptor: HEME B/C, Ssr1698 protein
Authors:Yee, E.F, Blaby-Haas, C.
Deposit date:2022-12-22
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria.
Nat Commun, 15, 2024
8G10
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BU of 8g10 by Molmil
Structure of Ternary Complex of cGAS with dsDNA and Bound ITP and GTP
Descriptor: Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-02-01
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
8G1J
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BU of 8g1j by Molmil
Structure of Ternary Complex of cGAS with dsDNA and Bound ATP and ITP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-02-02
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
7V52
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BU of 7v52 by Molmil
Structure of AdaV
Descriptor: AdaV, FE (III) ION
Authors:Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
8G23
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BU of 8g23 by Molmil
Structure of Ternary Complex of cGAS with dsDNA and Bound pppIpA
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MAGNESIUM ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-02-03
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
7V57
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BU of 7v57 by Molmil
Structure of AdaV
Descriptor: 2-OXOGLUTARIC ACID, AdaV, CHLORIDE ION, ...
Authors:Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
5ITC
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BU of 5itc by Molmil
2.2-Angstrom in meso crystal structure of Haloquadratum Walsbyi Bacteriorhodopsin (HwBR) from Styrene Maleic Acid (SMA) Polymer Nanodiscs
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin-I, ...
Authors:Broecker, J, Eger, B.T, Ernst, O.P.
Deposit date:2016-03-16
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Crystallogenesis of Membrane Proteins Mediated by Polymer-Bounded Lipid Nanodiscs.
Structure, 25, 2017
5IRP
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BU of 5irp by Molmil
Crystal structure of the alanine racemase Bsu17640 from Bacillus subtilis
Descriptor: (5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alanine racemase 2, ...
Authors:Bernardo-Garcia, N, Gago, F, Hermoso, J.A.
Deposit date:2016-03-14
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org.Biomol.Chem., 17, 2019

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PDB entries from 2024-07-17

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