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PDB: 3016 results

4RG7
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Crystal structure of APC3
Descriptor: Cell division cycle protein 27 homolog
Authors:Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A.
Deposit date:2014-09-29
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.25 Å)
Cite:Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome.
J.Mol.Biol., 427, 2015
4QX8
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BU of 4qx8 by Molmil
Crystal structure of histone demethylase kdm2a-h3k36me3 complex with alpha-kg
Descriptor: 2-OXOGLUTARIC ACID, Histone H3.2, Lysine-specific demethylase 2A, ...
Authors:Cheng, Z.J, Patel, D.J.
Deposit date:2014-07-19
Release date:2014-11-05
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A molecular threading mechanism underlies Jumonji lysine demethylase KDM2A regulation of methylated H3K36.
Genes Dev., 28, 2014
4QTN
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Crystal structure of the Vitamin B3 transporter PnuC
Descriptor: Nicotinamide riboside, Nicotinamide riboside transporter PnuC, octyl beta-D-glucopyranoside
Authors:Guskov, A, Jaehme, M, Slotboom, D.J.
Deposit date:2014-07-08
Release date:2014-10-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the Vitamin B3 transporter PnuC
Nat.Struct.Mol.Biol., 2014
4QU3
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BU of 4qu3 by Molmil
GES-2 ertapenem acyl-enzyme complex
Descriptor: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase GES-2, ...
Authors:Stewart, N.K, Smith, C.A, Frase, H, Black, D.J, Vakulenko, S.B.
Deposit date:2014-07-10
Release date:2014-12-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Kinetic and Structural Requirements for Carbapenemase Activity in GES-Type beta-Lactamases.
Biochemistry, 54, 2015
8ZFN
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BU of 8zfn by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and BVT.13
Descriptor: 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
8ZFR
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Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and nTZDpa
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
8ZFT
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BU of 8zft by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and SR1664
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
9BAF
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BU of 9baf by Molmil
Solution NMR structure of conofurin-Delta
Descriptor: Alpha-conotoxin LvIA
Authors:Harvey, P.J, Craik, D.J, Hone, A.J, McIntosh, J.M.
Deposit date:2024-04-04
Release date:2024-07-03
Method:SOLUTION NMR
Cite:Design, Synthesis, and Structure-Activity Relationships of Novel Peptide Derivatives of the Severe Acute Respiratory Syndrome-Coronavirus-2 Spike-Protein that Potently Inhibit Nicotinic Acetylcholine Receptors.
J.Med.Chem., 67, 2024
9BGR
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X-ray structure of the aminotransferase from Vibrio vulnificus responsible for the biosynthesis of 2,3-diacetamido-4-amino-2,3,4-trideoxy-arabinose in the presence of its external aldimine with 2,3-diacetamido-4-amino-2,3,4-trideoxy-l-arabinose
Descriptor: (2R,3R,4R,5R)-3,4-diacetamido-5-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methoxy)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Fait, D.J, Thoden, J.B, Holden, H.M.
Deposit date:2024-04-19
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Biochemical Investigation of an Aminotransferase Required for the Production of 2,3,4-triacetamido-2,3,4-trideoxy-L-arabinose
To Be Published
8ZFO
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BU of 8zfo by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and nTZDpa
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
8ZFP
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BU of 8zfp by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and MRL24
Descriptor: (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
9BGP
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BU of 9bgp by Molmil
X-ray structure of the aminotransferase from Vibrio vulnificus responsible for the biosynthesis of 2,3-diacetamido-4-amino-2,3,4-trideoxy-arabinose in the presence of its internal aldimine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, aminotransferase
Authors:Fait, D.J, Thoden, J.B, Holden, H.M.
Deposit date:2024-04-19
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Biochemical Investigation of an Aminotransferase Required for the Production of 2,3,4-triacetamido-2,3,4-trideoxy-L-arabinose
To Be Published
9C8S
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BU of 9c8s by Molmil
CryoEM structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with adenosine-5'-ethylphosphate
Descriptor: 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
Authors:Xu, Z, Schnicker, N.J, Jezeski, A.J, Krysan, D.J.
Deposit date:2024-06-12
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.37 Å)
Cite:CryoEM structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with adenosine-5'-ethylphosphate
To Be Published
9C8R
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BU of 9c8r by Molmil
CryoEM structure of Apo Cryptococcus neoformans H99 Acetyl-CoA Synthetase
Descriptor: Acetyl-coenzyme A synthetase
Authors:Xu, Z, Schnicker, N.J, Jezeski, A.J, Krysan, D.J.
Deposit date:2024-06-12
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:CryoEM structure of Apo Cryptococcus neoformans H99 Acetyl-CoA Synthetase
To Be Published
8ZFQ
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BU of 8zfq by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and BVT.13
Descriptor: 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
8ZFS
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BU of 8zfs by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and MRL24
Descriptor: (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
3KCG
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BU of 3kcg by Molmil
Crystal structure of the antithrombin-factor IXa-pentasaccharide complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, Antithrombin-III, ...
Authors:Huntington, J.A, Johnson, D.J.D.
Deposit date:2009-10-21
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular basis of factor IXa recognition by heparin-activated antithrombin revealed by a 1.7-A structure of the ternary complex.
Proc.Natl.Acad.Sci.USA, 107, 2010
6AOM
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BU of 6aom by Molmil
Structure of molecular chaperone Grp94 bound to selective inhibitor methyl 2-[2-(2-benzylphenyl)ethyl]-3-chloro-4,6-dihydroxybenzoate
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, Endoplasmin, ...
Authors:Lieberman, R.L, Huard, D.J.E.
Deposit date:2017-08-16
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Second Generation Grp94-Selective Inhibitors Provide Opportunities for the Inhibition of Metastatic Cancer.
Chemistry, 23, 2017
7ZXY
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BU of 7zxy by Molmil
3.15 Angstrom cryo-EM structure of the dimeric cytochrome b6f complex from Synechocystis sp. PCC 6803 with natively bound plastoquinone and lipid molecules.
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, CHLOROPHYLL A, Cytochrome B6, ...
Authors:Malone, L.A, Procter, M.S, Farmer, D.F, Swainsbury, D.J.K, Hawkings, F.R, Pastorelli, F, Emrich-Mills, T.Z, Siebert, A, Hunter, C.N, Hitchcock, A, Johnson, M.P.
Deposit date:2022-05-23
Release date:2022-07-06
Last modified:2022-07-27
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Cryo-EM structures of the Synechocystis sp. PCC 6803 cytochrome b6f complex with and without the regulatory PetP subunit.
Biochem.J., 479, 2022
2KZD
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BU of 2kzd by Molmil
Structure of a (3+1) G-quadruplex formed by hTERT promoter sequence
Descriptor: DNA (5'-D(*AP*GP*GP*GP*IP*AP*GP*GP*GP*GP*CP*TP*GP*GP*GP*AP*GP*GP*GP*C)-3')
Authors:Lim, K.W, Lacroix, L, Yue, D.J.E, Lim, J.K.C, Lim, J.M.W, Phan, A.T.
Deposit date:2010-06-16
Release date:2010-10-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Coexistence of two distinct G-quadruplex conformations in the hTERT promoter
J.Am.Chem.Soc., 132, 2010
6AOL
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BU of 6aol by Molmil
Structure of molecular chaperone Grp94 bound to selective inhibitor methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endoplasmin, methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate
Authors:Lieberman, R.L, Huard, D.J.E.
Deposit date:2017-08-16
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.764 Å)
Cite:Second Generation Grp94-Selective Inhibitors Provide Opportunities for the Inhibition of Metastatic Cancer.
Chemistry, 23, 2017
2KZE
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BU of 2kze by Molmil
Structure of an all-parallel-stranded G-quadruplex formed by hTERT promoter sequence
Descriptor: DNA (5'-D(*AP*IP*GP*GP*GP*AP*GP*GP*GP*IP*CP*TP*GP*GP*GP*AP*GP*GP*GP*C)-3')
Authors:Lim, K.W, Lacroix, L, Yue, D.J.E, Lim, J.K.C, Lim, J.M.W, Phan, A.T.
Deposit date:2010-06-16
Release date:2010-10-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Coexistence of two distinct G-quadruplex conformations in the hTERT promoter
J.Am.Chem.Soc., 132, 2010
6SG9
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BU of 6sg9 by Molmil
Head domain of the mt-SSU assemblosome from Trypanosoma brucei
Descriptor: 9S rRNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N.
Deposit date:2019-08-03
Release date:2019-09-18
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery.
Science, 365, 2019
6ASQ
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BU of 6asq by Molmil
Structure of Grp94 bound to methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate, a pan-Hsp90 inhibitor
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, Endoplasmin, ...
Authors:Huard, D.J.E, Lieberman, R.L.
Deposit date:2017-08-25
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Trifunctional High-Throughput Screen Identifies Promising Scaffold To Inhibit Grp94 and Treat Myocilin-Associated Glaucoma.
ACS Chem. Biol., 13, 2018
4OGW
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BU of 4ogw by Molmil
Structure of a human CD38 mutant complexed with NMN
Descriptor: ADP-ribosyl cyclase 1, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
Authors:Shewchuk, L.M, Preugschat, F, Carter, L.H, Boros, E.E, Moyer, M.B, Stewart, E.L, Porter, D.J.T.
Deposit date:2014-01-16
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A pre-steady state and steady state kinetic analysis of the N-ribosyl hydrolase activity of hCD157.
Arch.Biochem.Biophys., 564C, 2014

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PDB entries from 2024-08-28

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