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3VCA
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BU of 3vca by Molmil
Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman and UV-visible Spectroscopic Analysis of a Rieske-type Demethylase
Descriptor: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ...
Authors:Daughtry, K.D, Xiao, Y, Stoner-Ma, D, Cho, E, Orville, A.M, Liu, P, Allen, K.N.
Deposit date:2012-01-03
Release date:2012-02-08
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman, and UV-Visible Spectroscopic Analysis of a Rieske-Type Demethylase.
J.Am.Chem.Soc., 134, 2012
1E3C
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Crystal structure of an Arylsulfatase A mutant C69S soaked in synthetic substrate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Arylsulfatase A, MAGNESIUM ION
Authors:von Buelow, R, Schmidt, B, Dierks, T, von Figura, K, Uson, I.
Deposit date:2000-06-13
Release date:2001-03-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of an enzyme-substrate complex provides insight into the interaction between human arylsulfatase A and its substrates during catalysis.
J. Mol. Biol., 305, 2001
1E1Z
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BU of 1e1z by Molmil
Crystal structure of an Arylsulfatase A mutant C69S
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Arylsulfatase A, MAGNESIUM ION
Authors:von Buelow, R, Schmidt, B, Dierks, T, von Figura, K, Uson, I.
Deposit date:2000-05-12
Release date:2001-05-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of an enzyme-substrate complex provides insight into the interaction between human arylsulfatase A and its substrates during catalysis.
J. Mol. Biol., 305, 2001
1SPF
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THE NMR STRUCTURE OF THE PULMONARY SURFACTANT-ASSOCIATED POLYPEPTIDE SP-C IN AN APOLAR SOLVENT CONTAINS A VALYL-RICH ALPHA-HELIX
Descriptor: PULMONARY SURFACTANT-ASSOCIATED POLYPEPTIDE C
Authors:Johansson, J, Szyperski, T, Curstedt, T, Wuthrich, K.
Deposit date:1994-09-26
Release date:1994-12-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The NMR structure of the pulmonary surfactant-associated polypeptide SP-C in an apolar solvent contains a valyl-rich alpha-helix.
Biochemistry, 33, 1994
2L6E
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BU of 2l6e by Molmil
NMR Structure of the monomeric mutant C-terminal domain of HIV-1 Capsid in complex with stapled peptide Inhibitor
Descriptor: Capsid protein p24, NYAD-13 stapled peptide inhibitor
Authors:Bhattacharya, S, Zhang, H, Debnath, A.K, Cowburn, D.
Deposit date:2010-11-18
Release date:2010-12-29
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Solution structure of a hydrocarbon stapled peptide inhibitor in complex with monomeric C-terminal domain of HIV-1 capsid.
J.Biol.Chem., 283, 2008
2LKB
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BU of 2lkb by Molmil
Evolutionary diversification of Mesobuthus alpha-scorpion toxins affecting sodium channels
Descriptor: Neurotoxin MeuNaTx-5
Authors:Zhu, S, Peigneur, S, Gao, B, Lu, X, Cao, C, Tytgat, J.
Deposit date:2011-10-09
Release date:2011-11-02
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Evolutionary diversification of Mesobuthus {alpha}-scorpion toxins affecting sodium channels
Mol.Cell Proteomics, 2011
1UC6
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BU of 1uc6 by Molmil
Solution Structure of the Carboxyl Terminal Domain of the Ciliary Neurotrophic Factor Receptor
Descriptor: Ciliary Neurotrophic Factor Receptor alpha
Authors:Man, D, He, W, Sze, K.H, Ke, G, Smith, D.K, Ip, N.Y, Zhu, G.
Deposit date:2003-04-08
Release date:2004-08-10
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal domain of the ciliary neurotrophic factor (CNTF) receptor and ligand free associations among components of the CNTF receptor complex
J.Biol.Chem., 278, 2003
1W4T
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X-ray crystallographic structure of Pseudomonas aeruginosa arylamine N-acetyltransferase
Descriptor: Arylamine N-acetyltransferase, SULFATE ION
Authors:Westwood, I.M, Holton, S.J, Rodrigues-Lima, F, Dupret, J.-M, Bhakta, S, Noble, M.E, Sim, E.
Deposit date:2004-07-29
Release date:2005-08-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Expression, purification, characterization and structure of Pseudomonas aeruginosa arylamine N-acetyltransferase.
Biochem. J., 385, 2005
1VA4
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Pseudomonas fluorescens aryl esterase
Descriptor: Arylesterase, GLYCEROL
Authors:Cheeseman, J.D, Tocilj, A, Park, S, Schrag, J.D, Kazlauskas, R.J.
Deposit date:2004-02-11
Release date:2004-07-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Structure of an aryl esterase from Pseudomonas fluorescens.
Acta Crystallogr.,Sect.D, 60, 2004
1XPL
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Crystal Structure of Staphylococcus aureus HMG-COA Synthase with Acetoacetyl-COA and Acetylated Cysteine
Descriptor: 3-hydroxy-3-methylglutaryl CoA synthase, ACETOACETYL-COENZYME A, SULFATE ION
Authors:Theisen, M.J, Misra, I, Saadat, D, Campobasso, N, Miziorko, H.M, Harrison, D.H.T.
Deposit date:2004-10-08
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:3-hydroxy-3-methylglutaryl-CoA synthase intermediate complex observed in "real-time"
Proc.Natl.Acad.Sci.USA, 47, 2004
1QBK
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STRUCTURE OF THE KARYOPHERIN BETA2-RAN GPPNHP NUCLEAR TRANSPORT COMPLEX
Descriptor: KARYOPHERIN BETA2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Chook, Y.M, Blobel, G.
Deposit date:1999-04-23
Release date:1999-06-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the nuclear transport complex karyopherin-beta2-Ran x GppNHp.
Nature, 399, 1999
1TSH
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BU of 1tsh by Molmil
TERTIARY STRUCTURES OF THREE AMYLOIDOGENIC TRANSTHYRETIN VARIANTS AND IMPLICATIONS FOR AMYLOID FIBRIL FORMATION
Descriptor: TRANSTHYRETIN
Authors:Schormann, N, Murrell, J.R, Benson, M.D.
Deposit date:1996-10-16
Release date:1997-04-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Tertiary structures of amyloidogenic and non-amyloidogenic transthyretin variants: new model for amyloid fibril formation.
Amyloid, 5, 1998
1E2S
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BU of 1e2s by Molmil
Crystal structure of an Arylsulfatase A mutant C69A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Arylsulfatase A, MAGNESIUM ION, ...
Authors:von Buelow, R, Schmidt, B, Dierks, T, von Figura, K, Uson, I.
Deposit date:2000-05-24
Release date:2000-12-06
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of an enzyme-substrate complex provides insight into the interaction between human arylsulfatase A and its substrates during catalysis.
J. Mol. Biol., 305, 2001
1BK5
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KARYOPHERIN ALPHA FROM SACCHAROMYCES CEREVISIAE
Descriptor: COBALT (II) ION, KARYOPHERIN ALPHA
Authors:Conti, E, Uy, M, Leighton, L, Blobel, G, Kuriyan, J.
Deposit date:1998-07-14
Release date:1999-01-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic analysis of the recognition of a nuclear localization signal by the nuclear import factor karyopherin alpha.
Cell(Cambridge,Mass.), 94, 1998
8DIC
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BU of 8dic by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIB
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BU of 8dib by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIG
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BU of 8dig by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIF
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BU of 8dif by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DII
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BU of 8dii by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIH
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BU of 8dih by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIE
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BU of 8die by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DID
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BU of 8did by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8FO6
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Nucleotide-free structure of a functional construct of eukaryotic elongation factor 2 kinase.
Descriptor: CALCIUM ION, Calmodulin-1, Eukaryotic elongation factor 2 kinase, ...
Authors:Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
Deposit date:2022-12-29
Release date:2023-05-03
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GM4
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Functional construct of the Eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor
Descriptor: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
Deposit date:2023-03-24
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure of the complex between calmodulin and a functional construct of eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor.
J.Biol.Chem., 299, 2023
8FNY
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Nucleotide-bound structure of a functional construct of eukaryotic elongation factor 2 kinase.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
Deposit date:2022-12-28
Release date:2023-05-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin.
Proc.Natl.Acad.Sci.USA, 120, 2023

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