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6CHP
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BU of 6chp by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino)ethyl)benzyl)piperidine-1-carboxylate
Descriptor: Phosphopantetheine adenylyltransferase, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-22
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
2AU9
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BU of 2au9 by Molmil
Inorganic pyrophosphatase complexed with substrate
Descriptor: CHLORIDE ION, FLUORIDE ION, Inorganic pyrophosphatase, ...
Authors:Samygina, V.R, Popov, A.N, Avaeva, S.M, Bartunik, H.D.
Deposit date:2005-08-27
Release date:2006-08-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Reversible inhibition of Escherichia coli inorganic pyrophosphatase by fluoride: trapped catalytic intermediates in cryo-crystallographic studies
J.Mol.Biol., 366, 2007
4J22
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BU of 4j22 by Molmil
Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Descriptor: 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-04
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
5N6W
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BU of 5n6w by Molmil
Retinoschisin R141H Mutant
Descriptor: Retinoschisin
Authors:Ramsay, E.P, Collins, R.F, Owens, T.W, Siebert, C.A, Jones, R.P.O, Roseman, A, Wang, T, Baldock, C.
Deposit date:2017-02-16
Release date:2017-04-12
Last modified:2017-08-30
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural analysis of X-linked retinoschisis mutations reveals distinct classes which differentially effect retinoschisin function
Human Molecular Genetics, 25, 2016
2AKH
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BU of 2akh by Molmil
Normal mode-based flexible fitted coordinates of a non-translocating SecYEG protein-conducting channel into the cryo-EM map of a SecYEG-nascent chain-70S ribosome complex from E. coli
Descriptor: Preprotein translocase secE subunit, Preprotein translocase secY subunit, Protein-export membrane protein secG
Authors:Mitra, K.M, Schaffitzel, C, Shaikh, T, Tama, F, Jenni, S, Brooks III, C.L, Ban, N, Frank, J.
Deposit date:2005-08-03
Release date:2005-11-15
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (14.9 Å)
Cite:Structure of the E. coli protein-conducting channel bound to a translating ribosome.
Nature, 438, 2005
6BVB
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BU of 6bvb by Molmil
Crystal structure of HIF-2alpha-pVHL-elongin B-elongin C
Descriptor: Elongin-B, Elongin-C, Hypoxia-Inducible Factor 2 alpha, ...
Authors:Tarade, D, Ohh, M, Lee, J.E.
Deposit date:2017-12-12
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:HIF-2 alpha-pVHL complex reveals broad genotype-phenotype correlations in HIF-2 alpha-driven disease.
Nat Commun, 9, 2018
7JJO
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BU of 7jjo by Molmil
Structural Basis of the Activation of Heterotrimeric Gs-protein by Isoproterenol-bound Beta1-Adrenergic Receptor
Descriptor: Beta1-Adrenergic Receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Su, M, Zhu, L, Zhang, Y, Paknejad, N, Dey, R, Huang, J, Lee, M.Y, Williams, D, Jordan, K.D, Eng, E.T, Ernst, O.P, Meyerson, J.R, Hite, R.K, Walz, T, Liu, W, Huang, X.Y.
Deposit date:2020-07-27
Release date:2020-09-02
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural Basis of the Activation of Heterotrimeric Gs-Protein by Isoproterenol-Bound beta 1 -Adrenergic Receptor.
Mol.Cell, 80, 2020
2JKS
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BU of 2jks by Molmil
Crystal structure of the the bradyzoite specific antigen BSR4 from toxoplasma gondii.
Descriptor: BRADYZOITE SURFACE ANTIGEN BSR4, ZINC ION
Authors:Boulanger, M.J, Grigg, M.E, Bruic, E, Grujic, O.
Deposit date:2008-08-29
Release date:2009-02-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Characterization of the Bradyzoite Surface Antigen (Bsr4) from Toxoplasma Gondii, a Unique Addition to the Surface Antigen Glycoprotein 1-Related Superfamily.
J.Biol.Chem., 284, 2009
4IUE
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BU of 4iue by Molmil
Tankyrase in complex with 7-(2-fluorophenyl)-4-methyl-1,2-dihydroquinolin-2-one
Descriptor: 7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-01-21
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4A6V
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BU of 4a6v by Molmil
X-ray structures of oxazole hydroxamate EcMetAp-Mn complexes
Descriptor: CARBONATE ION, MANGANESE (II) ION, METHIONINE AMINOPEPTIDASE, ...
Authors:Huguet, F, Melet, A, AlvesdeSousa, R, Lieutaud, A, Chevalier, J, Deschamps, P, Tomas, A, Leulliot, N, Pages, J.M, Artaud, I.
Deposit date:2011-11-09
Release date:2012-06-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Hydroxamic Acids as Potent Inhibitors of Fe(II) and Mn(II) E. Coli Methionine Aminopeptidase: Biological Activities and X-Ray Structures of Oxazole Hydroxamate-Ecmetap-Mn Complexes.
Chemmedchem, 7, 2012
1O1W
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BU of 1o1w by Molmil
SOLUTION STRUCTURE OF THE RNASE H DOMAIN OF THE HIV-1 REVERSE TRANSCRIPTASE IN THE PRESENCE OF MAGNESIUM
Descriptor: RIBONUCLEASE H
Authors:Pari, K, Mueller, G.A, Derose, E.F, Kirby, T.W, London, R.E.
Deposit date:2003-02-12
Release date:2003-02-18
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution Structure of the Rnase H Domain of the HIV-1 Reverse Transcriptase in the Presence of Magnesium
Biochemistry, 42, 2003
2ZC2
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BU of 2zc2 by Molmil
Crystal structure of DnaD-like replication protein from Streptococcus mutans UA159, gi 24377835, residues 127-199
Descriptor: DnaD-like replication protein, ZINC ION
Authors:Duke, N.E.C, Clancy, S, Duggan, E, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-11-02
Release date:2007-12-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of DnaD-like replication protein from Streptococcus mutans UA159.
To be Published
1TGE
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BU of 1tge by Molmil
The structure of immature Dengue virus at 12.5 angstrom
Descriptor: envelope glycoprotein
Authors:Zhang, Y, Zhang, W, Ogata, S, Clements, D, Strauss, J.H, Baker, T.S, Kuhn, R.J, Rossmann, M.G.
Deposit date:2004-05-28
Release date:2004-09-28
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (12.5 Å)
Cite:Conformational changes of the flavivirus e glycoprotein.
Structure, 12, 2004
5GR3
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BU of 5gr3 by Molmil
Crystal structure of branching enzyme L541A/W655A mutant from Cyanothece sp. ATCC 51142
Descriptor: 1,4-alpha-glucan branching enzyme GlgB, GLYCEROL, MAGNESIUM ION
Authors:Suzuki, R, Suzuki, E.
Deposit date:2016-08-08
Release date:2017-08-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for substrate binding and catalysis of branching enzyme from Cyanothece sp. ATCC 51142
To be published
6BYB
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BU of 6byb by Molmil
Crystal structure of L3MBTL1 MBT Domain with MBK14970
Descriptor: (S)-N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide, 1,2-ETHANEDIOL, Lethal(3)malignant brain tumor-like protein 1, ...
Authors:DONG, A, DOBROVETSKY, E, NICHOLSON, B, COX, C, FISCHER, C, ARMACOST, K, SANDERS, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC)
Deposit date:2017-12-20
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of L3MBTL1 MBT Domain with MBK14970
to be published
1ZWJ
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BU of 1zwj by Molmil
X-ray structure of galt-like protein from arabidopsis thaliana AT5G18200
Descriptor: ZINC ION, putative galactose-1-phosphate uridyl transferase
Authors:Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, McCoy, J.G, Johnson, K.A, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2005-06-03
Release date:2005-06-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and Mechanism of an ADP-Glucose Phosphorylase from Arabidopsis thaliana
Biochemistry, 45, 2006
4AF0
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BU of 4af0 by Molmil
Crystal structure of cryptococcal inosine monophosphate dehydrogenase
Descriptor: INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, INOSINIC ACID, MYCOPHENOLIC ACID, ...
Authors:Valkov, E, Stamp, A, Morrow, C.A, Kobe, B, Fraser, J.A.
Deposit date:2012-01-15
Release date:2012-10-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De Novo GTP Biosynthesis is Critical for Virulence of the Fungal Pathogen Cryptococcus Neoformans
Plos Pathog., 8, 2012
7L11
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BU of 7l11 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 5
Descriptor: 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile, 3C-like proteinase
Authors:Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-12-14
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
1ZYJ
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BU of 1zyj by Molmil
Human P38 MAP Kinase in Complex with Inhibitor 1a
Descriptor: 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Karpusas, M, Michelotti, E.L, Springman, E.B.
Deposit date:2005-06-10
Release date:2005-11-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
5UWC
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BU of 5uwc by Molmil
Cytokine-receptor complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ...
Authors:Broughton, S.E, Parker, M.W.
Deposit date:2017-02-21
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A dual role for the N-terminal domain of the IL-3 receptor in cell signalling.
Nat Commun, 9, 2018
7XZ5
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BU of 7xz5 by Molmil
GPR119-Gs-LPC complex
Descriptor: (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, P, Huang, S, Jiang, Y, Xu, H.E.
Deposit date:2022-06-02
Release date:2022-08-24
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural identification of lysophosphatidylcholines as activating ligands for orphan receptor GPR119.
Nat.Struct.Mol.Biol., 29, 2022
1ZZ2
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BU of 1zz2 by Molmil
Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes
Descriptor: Mitogen-activated protein kinase 14, N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE, octyl beta-D-glucopyranoside
Authors:Michelotti, E.L, Moffett, K.K, Springman, E.B, Karpusas, M.
Deposit date:2005-06-13
Release date:2005-10-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
7KGF
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BU of 7kgf by Molmil
Cryo-EM Structures of AdeB from Acinetobacter baumannii: AdeB-III
Descriptor: Efflux pump membrane transporter
Authors:Morgan, C.E, Yu, E.W.
Deposit date:2020-10-16
Release date:2021-03-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Cryoelectron Microscopy Structures of AdeB Illuminate Mechanisms of Simultaneous Binding and Exporting of Substrates.
Mbio, 12, 2021
7KVE
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BU of 7kve by Molmil
Cryo-EM structure of human Factor V at 3.3 Angstrom resolution
Descriptor: Coagulation factor V
Authors:Ruben, E.A, Di Cera, E.
Deposit date:2020-11-27
Release date:2021-03-10
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of human coagulation factors V and Va.
Blood, 137, 2021
7KXY
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BU of 7kxy by Molmil
Cryo-EM structure of human Factor Va at 4.4 Angstrom resolution
Descriptor: Coagulation factor Va
Authors:Ruben, E.A, Di Cera, E.
Deposit date:2020-12-05
Release date:2021-03-10
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM structures of human coagulation factors V and Va.
Blood, 137, 2021

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