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5AIR
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BU of 5air by Molmil
Structural analysis of mouse GSK3beta fused with LRP6 peptide.
Descriptor: Low-density lipoprotein receptor-related protein 6,Glycogen synthase kinase-3 beta, MALONATE ION
Authors:Kim, K.L.
Deposit date:2015-02-17
Release date:2015-04-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural Analysis of Mouse Gsk3 Beta Fused with Lrp6 Peptide
Biodesign, 3, 2015
5H9U
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BU of 5h9u by Molmil
Crystal structure of a thermostable methionine adenosyltransferase
Descriptor: S-adenosylmethionine synthase
Authors:Feng, Y, Wang, W.
Deposit date:2015-12-29
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.667 Å)
Cite:Crystal structure of a thermostable methionine adenosyltransferase
To Be Published
7KW7
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BU of 7kw7 by Molmil
Atomic cryoEM structure of Hsp90-Hsp70-Hop-GR
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glucocorticoid receptor, Heat shock 70 kDa protein 1A, ...
Authors:Wang, R.Y, Noddings, C.M, Kirschke, E, Myasnikov, A, Johnson, J.L, Agard, D.A.
Deposit date:2020-11-30
Release date:2021-12-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Structure of Hsp90-Hsp70-Hop-GR reveals the Hsp90 client-loading mechanism.
Nature, 601, 2022
2C00
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BU of 2c00 by Molmil
Crystal Structure of Biotin Carboxylase from Pseudomonas aeruginosa in apo form
Descriptor: BIOTIN CARBOXYLASE, SULFATE ION
Authors:Mochalkin, I.
Deposit date:2008-03-21
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008
1JDB
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BU of 1jdb by Molmil
CARBAMOYL PHOSPHATE SYNTHETASE FROM ESCHERICHIA COLI
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CARBAMOYL PHOSPHATE SYNTHETASE, CHLORIDE ION, ...
Authors:Thoden, J.B, Holden, H.M, Wesenberg, G, Raushel, F.M, Rayment, I.
Deposit date:1997-03-25
Release date:1998-06-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of carbamoyl phosphate synthetase determined to 2.1 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
1ASY
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BU of 1asy by Molmil
CLASS II AMINOACYL TRANSFER RNA SYNTHETASES: CRYSTAL STRUCTURE OF YEAST ASPARTYL-TRNA SYNTHETASE COMPLEXED WITH TRNA ASP
Descriptor: ASPARTYL-tRNA SYNTHETASE, T-RNA (75-MER)
Authors:Ruff, M, Cavarelli, J, Rees, B, Krishnaswamy, S, Thierry, J.C, Moras, D.
Deposit date:1995-01-19
Release date:1995-05-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Class II aminoacyl transfer RNA synthetases: crystal structure of yeast aspartyl-tRNA synthetase complexed with tRNA(Asp).
Science, 252, 1991
2W70
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BU of 2w70 by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with the amino-thiazole-pyrimidine fragment
Descriptor: 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-19
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W6N
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BU of 2w6n by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series
Descriptor: 2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W6Q
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BU of 2w6q by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with the triazine-2,4-diamine fragment
Descriptor: 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W71
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BU of 2w71 by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with the imidazole-pyrimidine inhibitor
Descriptor: 4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-19
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W6P
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BU of 2w6p by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with 5-Methyl-6-phenyl-quinazoline-2,4-diamine
Descriptor: 5-methyl-6-phenylquinazoline-2,4-diamine, ACETYL-COA CARBOXYLASE
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W6M
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BU of 2w6m by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series
Descriptor: (2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
6HXG
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BU of 6hxg by Molmil
PDX1.2/PDX1.3 complex (intermediate)
Descriptor: Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION
Authors:Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B.
Deposit date:2018-10-17
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse.
Acta Crystallogr D Struct Biol, 75, 2019
1P5E
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BU of 1p5e by Molmil
The structure of phospho-CDK2/cyclin A in complex with the inhibitor 4,5,6,7-tetrabromobenzotriazole (TBS)
Descriptor: 4,5,6,7-TETRABROMOBENZOTRIAZOLE, Cell division protein kinase 2, Cyclin A2
Authors:De Moliner, E, Brown, N.R, Johnson, L.N.
Deposit date:2003-04-26
Release date:2003-07-01
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Alternative binding modes of an inhibitor to two different kinases
Eur.J.Biochem., 270, 2003
2OI4
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BU of 2oi4 by Molmil
Crystal structure of human PIM1 in complex with fluorinated ruthenium pyridocarbazole
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Maksimoska, J, Meggers, E.
Deposit date:2007-01-10
Release date:2007-04-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ruthenium half-sandwich complexes as protein kinase inhibitors: derivatization of the pyridocarbazole pharmacophore ligand.
Org.Biomol.Chem., 5, 2007
4DIT
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BU of 4dit by Molmil
Crystal Structure of GSK3beta in complex with a Imidazopyridine inhibitor
Descriptor: Glycogen synthase kinase-3 beta, N-(pyridin-3-yl)-2-(thiophen-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide
Authors:Kim, H.T, Lee, S.C, Chang, H.J.
Deposit date:2012-01-31
Release date:2012-02-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of GSK3beta in complex with a Imidazolopyridine inhibitor
To be Published
8FFW
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BU of 8ffw by Molmil
Cryo-EM structure of the GR-Hsp90-FKBP51 complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ...
Authors:Noddings, C.M, Agard, D.A.
Deposit date:2022-12-10
Release date:2023-11-01
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Cryo-EM reveals how Hsp90 and FKBP immunophilins co-regulate the glucocorticoid receptor.
Nat.Struct.Mol.Biol., 30, 2023
8FFV
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BU of 8ffv by Molmil
Cryo-EM structure of the GR-Hsp90-FKBP52 complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ...
Authors:Noddings, C.M, Agard, D.A.
Deposit date:2022-12-10
Release date:2023-11-01
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Cryo-EM reveals how Hsp90 and FKBP immunophilins co-regulate the glucocorticoid receptor.
Nat.Struct.Mol.Biol., 30, 2023
7RRO
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BU of 7rro by Molmil
Structure of the 48-nm repeat doublet microtubule from bovine tracheal cilia
Descriptor: Armadillo repeat containing 4, Chromosome 3 C1orf194 homolog, Cilia and flagella associated protein 161, ...
Authors:Gui, M, Anderson, J.R, Botsch, J.J, Meleppattu, S, Singh, S.K, Zhang, Q, Brown, A.
Deposit date:2021-08-10
Release date:2021-10-27
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:De novo identification of mammalian ciliary motility proteins using cryo-EM.
Cell, 184, 2021
8CIE
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BU of 8cie by Molmil
Crystal structure of the human CDKL5 kinase domain with compound YL-354
Descriptor: 4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide, Cyclin-dependent kinase-like 5, SULFATE ION
Authors:Richardson, W, Chen, X, Newman, J.A, Bakshi, S, Lakshminarayana, B, Brooke, L, Bullock, A.N.
Deposit date:2023-02-09
Release date:2023-06-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective.
Acs Chem Neurosci, 14, 2023
3SDB
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BU of 3sdb by Molmil
Crystal structure of C176A mutant of glutamine-dependent NAD+ synthetase from M. tuberculosis in apo form
Descriptor: Glutamine-dependent NAD(+) synthetase
Authors:Chuenchor, W, Gerratana, B.
Deposit date:2011-06-09
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.0017 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
8EZA
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BU of 8eza by Molmil
NHEJ Long-range complex with PAXX
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (30-MER), DNA (31-MER), ...
Authors:Chen, S, He, Y.
Deposit date:2022-10-31
Release date:2023-06-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.39 Å)
Cite:Cryo-EM visualization of DNA-PKcs structural intermediates in NHEJ.
Sci Adv, 9, 2023
3SZG
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BU of 3szg by Molmil
Crystal structure of C176A glutamine-dependent NAD+ synthetase from M. tuberculosis bound to AMP/PPi and NaAD+
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, Glutamine-dependent NAD(+) synthetase, ...
Authors:Chuenchor, W, Doukov, T, Gerratana, B.
Deposit date:2011-07-19
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
3SYT
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BU of 3syt by Molmil
Crystal structure of glutamine-dependent NAD+ synthetase from M. tuberculosis bound to AMP/PPi, NAD+, and glutamate
Descriptor: ADENOSINE MONOPHOSPHATE, GLUTAMIC ACID, GLYCEROL, ...
Authors:Chuenchor, W, Gerratana, B.
Deposit date:2011-07-18
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6511 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
8K5T
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BU of 8k5t by Molmil
The structure of EntE with2-methyl-3-chloro-benzoic acid sulfamoyl adenosine
Descriptor: Enterobactin synthase component E, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(3-chloranyl-2-methyl-phenyl)carbonylsulfamate
Authors:Miyanaga, A, Ishikawa, F.
Deposit date:2023-07-24
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Reprogrammed aryl acid adenylation domain with an enlarged substrate binding pocket
To be published

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