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PDB: 1599 results

6VNQ
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BU of 6vnq by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Bishydroxamic Acid Based Inhibitor
Descriptor: 1,2-ETHANEDIOL, N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-01-29
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design and Synthesis of Dihydroxamic Acids as HDAC6/8/10 Inhibitors.
Chemmedchem, 15, 2020
6VYD
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BU of 6vyd by Molmil
Terpenoid Cyclase FgGS in Complex with Mg, Inorganic Pyrophosphate, and Benzyltriethylammonium cation
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-02-26
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Discovery of the cryptic function of terpene cyclases as aromatic prenyltransferases.
Nat Commun, 11, 2020
6WDY
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BU of 6wdy by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Indole Phenylhydroxamate Inhibitor
Descriptor: 1,2-ETHANEDIOL, N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-04-01
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase.
Acs Chem.Biol., 15, 2020
2NN7
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Structure of inhibitor binding to Carbonic Anhydrase I
Descriptor: Carbonic anhydrase 1, DIMETHYL SULFOXIDE, ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-23
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
2NNG
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BU of 2nng by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-24
Release date:2007-05-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
2NNS
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BU of 2nns by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: CHLORIDE ION, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-24
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
6WSJ
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BU of 6wsj by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.3.1
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2020-05-01
Release date:2021-04-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
2NNV
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BU of 2nnv by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: Carbonic anhydrase 2, ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE, GLYCEROL, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-24
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
2NMX
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BU of 2nmx by Molmil
Structure of inhibitor binding to Carbonic Anhydrase I
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 1, N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-23
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II
J.Am.Chem.Soc., 129, 2007
2NN1
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BU of 2nn1 by Molmil
Structure of inhibitor binding to Carbonic Anhydrase I
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID, Carbonic anhydrase 1, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-23
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II
J.Am.Chem.Soc., 129, 2007
2NNO
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BU of 2nno by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-24
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
6XB0
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BU of 6xb0 by Molmil
Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Kneller, D.W, Kovalevsky, A, Coates, L.
Deposit date:2020-06-05
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
2O2Y
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BU of 2o2y by Molmil
The crystal structure of P. falciparum enoyl acyl carrier protein reductase
Descriptor: CHLORIDE ION, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Muench, S.P, Prigge, S.T, McLeod, R, Rafferty, J.B, Kirisits, M.J, Roberts, C.W, Mui, E.J, Rice, D.W.
Deposit date:2006-11-30
Release date:2006-12-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Studies of Toxoplasma gondii and Plasmodium falciparum enoyl acyl carrier protein reductase and implications for the development of antiparasitic agents
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2O3Z
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BU of 2o3z by Molmil
X-ray crystal structure of LpxC complexed with 3-heptyloxybenzoate
Descriptor: 3-(heptyloxy)benzoic acid, CHLORIDE ION, SULFATE ION, ...
Authors:Gennadios, H.A, Whittington, D.A, Christianson, D.W.
Deposit date:2006-12-02
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Amphipathic benzoic acid derivatives: synthesis and binding in the hydrophobic tunnel of the zinc deacetylase LpxC.
Bioorg.Med.Chem., 15, 2007
2O36
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BU of 2o36 by Molmil
Crystal structure of engineered thimet oligopeptidase with neurolysin specificity in neurotensin cleavage site
Descriptor: Thimet oligopeptidase, ZINC ION
Authors:Rodgers, D.W, Lim, E.J.
Deposit date:2006-11-30
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Swapping the substrate specificities of the neuropeptidases neurolysin and thimet oligopeptidase.
J.Biol.Chem., 282, 2007
1YXC
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BU of 1yxc by Molmil
Structure of E. coli dihydrodipicolinate synthase to 1.9 A
Descriptor: CHLORIDE ION, POTASSIUM ION, dihydrodipicolinate synthase
Authors:Dobson, R.C.J, Griffin, M.D.W, Jameson, G.B, Gerrard, J.A.
Deposit date:2005-02-20
Release date:2005-08-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structures of native and (S)-lysine-bound dihydrodipicolinate synthase from Escherichia coli with improved resolution show new features of biological significance.
Acta Crystallogr.,Sect.D, 61, 2005
2O2S
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BU of 2o2s by Molmil
The structure of T. gondii enoyl acyl carrier protein reductase in complex with NAD and triclosan
Descriptor: Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Muench, S.P, Prigge, S.T, McLeod, R, Rafferty, J.B, Kirisits, M.J, Roberts, C.W, Mui, E.J, Rice, D.W.
Deposit date:2006-11-30
Release date:2006-12-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Studies of Toxoplasma gondii and Plasmodium falciparum enoyl acyl carrier protein reductase and implications for the development of antiparasitic agents
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2OA6
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BU of 2oa6 by Molmil
Aristolochene synthase from Aspergillus terreus complexed with pyrophosphate
Descriptor: Aristolochene synthase, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:Shishova, E.Y, Di Costanzo, L, Cane, D.E, Christianson, D.W.
Deposit date:2006-12-15
Release date:2007-01-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:X-ray crystal structure of aristolochene synthase from Aspergillus terreus and evolution of templates for the cyclization of farnesyl diphosphate
Biochemistry, 46, 2007
2KMN
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BU of 2kmn by Molmil
Solution structure of peptide deformylase complexed with actinonin
Descriptor: ACTINONIN, Peptide deformylase, ZINC ION
Authors:McElroy, C.A, Amero, C.D, Byerly, D.W, Foster, M.P.
Deposit date:2009-08-01
Release date:2009-08-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of Peptide Deformylase complexed with Actinonin
To be Published
2OJP
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BU of 2ojp by Molmil
The crystal structure of a dimeric mutant of Dihydrodipicolinate synthase from E.coli- DHDPS-L197Y
Descriptor: Dihydrodipicolinate synthase, GLYCEROL
Authors:Griffin, M.D.W, Dobson, R.C.J, Antonio, L, Perugini, M.A, Jameson, G.B, Gerrard, J.A.
Deposit date:2007-01-13
Release date:2008-01-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolution of quaternary structure in a homotetrameric enzyme.
J.Mol.Biol., 380, 2008
2O3E
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BU of 2o3e by Molmil
Crystal structure of engineered neurolysin with thimet oligopeptidase specificity for neurotensin cleavage site.
Descriptor: Neurolysin, ZINC ION
Authors:Rodgers, D.W, Lim, E.J.
Deposit date:2006-12-01
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Swapping the substrate specificities of the neuropeptidases neurolysin and thimet oligopeptidase.
J.Biol.Chem., 282, 2007
2K4U
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BU of 2k4u by Molmil
Solution structure of the SCORPION TOXIN ADWX-1
Descriptor: Potassium channel toxin alpha-KTx 3.6
Authors:Yin, S.J, Jiang, L, Yi, H, Han, S, Yang, D.W, Liu, M.L, Liu, H, Cao, Z.J, Wu, Y.L, Li, W.X.
Deposit date:2008-06-18
Release date:2008-12-09
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Different Residues in Channel Turret Determining the Selectivity of ADWX-1 Inhibitor Peptide between Kv1.1 and Kv1.3 Channels
J.Proteome Res., 7, 2008
2O50
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BU of 2o50 by Molmil
The crystal structure of Toxoplasma gondii Enoyl acyl carrier protein reductase
Descriptor: Enoyl-acyl carrier reductase
Authors:Muench, S.P, Prigge, S.T, McLeod, R, Rafferty, J.B, Rice, D.W.
Deposit date:2006-12-05
Release date:2006-12-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Studies of Toxoplasma gondii and Plasmodium falciparum enoyl acyl carrier protein reductase and implications for the development of antiparasitic agents
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2ODM
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BU of 2odm by Molmil
Crystal structure of S. aureus YlaN, an essential leucine rich protein involved in the control of cell shape
Descriptor: UPF0358 protein MW0995
Authors:Xu, L, Sedelnikova, S.E, Baker, P.J, Errington, J, Hunt, A, Rice, D.W.
Deposit date:2006-12-23
Release date:2007-06-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal structure of S. aureus YlaN, an essential leucine rich protein involved in the control of cell shape.
Proteins, 68, 2007
2OMV
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BU of 2omv by Molmil
Crystal structure of InlA S192N Y369S/hEC1 complex
Descriptor: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007

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