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1AUI
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BU of 1aui by Molmil
HUMAN CALCINEURIN HETERODIMER
Descriptor: CALCIUM ION, FE (III) ION, SERINE/THREONINE PHOSPHATASE 2B, ...
Authors:Kissinger, C.R, Parge, H.E, Knighton, D.R, Pelletier, L.A, Lewis, C.T, Tempczyk, A, Villafranca, J.E.
Deposit date:1997-08-27
Release date:1997-12-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of human calcineurin and the human FKBP12-FK506-calcineurin complex.
Nature, 378, 1995
1FXD
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BU of 1fxd by Molmil
REFINED CRYSTAL STRUCTURE OF FERREDOXIN II FROM DESULFOVIBRIO GIGAS AT 1.7 ANGSTROMS
Descriptor: FE3-S4 CLUSTER, FERREDOXIN II
Authors:Kissinger, C.R, Sieker, L.C, Adman, E.T, Jensen, L.H.
Deposit date:1991-04-08
Release date:1993-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Refined crystal structure of ferredoxin II from Desulfovibrio gigas at 1.7 A.
J.Mol.Biol., 219, 1991
1HDD
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BU of 1hdd by Molmil
CRYSTAL STRUCTURE OF AN ENGRAILED HOMEODOMAIN-DNA COMPLEX AT 2.8 ANGSTROMS RESOLUTION: A FRAMEWORK FOR UNDERSTANDING HOMEODOMAIN-DNA INTERACTIONS
Descriptor: DNA (5'-D(*AP*TP*TP*AP*GP*GP*TP*AP*AP*TP*TP*AP*CP*AP*TP*GP*G P*CP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*TP*GP*CP*CP*AP*TP*GP*TP*AP*AP*TP*TP*AP*C P*CP*TP*AP*A)-3'), PROTEIN (ENGRAILED HOMEODOMAIN)
Authors:Kissinger, C.R, Liu, B, Martin-Blanco, E, Kornberg, T.B, Pabo, C.O.
Deposit date:1991-09-16
Release date:1992-01-15
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of an engrailed homeodomain-DNA complex at 2.8 A resolution: a framework for understanding homeodomain-DNA interactions.
Cell(Cambridge,Mass.), 63, 1990
1U7T
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BU of 1u7t by Molmil
Crystal Structure of ABAD/HSD10 with a Bound Inhibitor
Descriptor: 1-AZEPAN-1-YL-2-PHENYL-2-(4-THIOXO-1,4-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)ETHANONE ADDUCT, 3-hydroxyacyl-CoA dehydrogenase type II, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kissinger, C.R, Rejto, P.A, Pelletier, L.A, Showalter, R.E, Villafranca, J.E.
Deposit date:2004-08-04
Release date:2004-10-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human ABAD/HSD10 with a bound inhibitor: implications for design of Alzheimer's disease therapeutics
J.Mol.Biol., 342, 2004
1ENH
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BU of 1enh by Molmil
STRUCTURAL STUDIES OF THE ENGRAILED HOMEODOMAIN
Descriptor: ENGRAILED HOMEODOMAIN
Authors:Clarke, N.D, Kissinger, C.R, Desjarlais, J, Gilliland, G.L, Pabo, C.O.
Deposit date:1994-05-20
Release date:1994-08-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies of the engrailed homeodomain.
Protein Sci., 3, 1994
2PN3
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BU of 2pn3 by Molmil
Crystal Structure of Hepatitis C Virus IRES Subdomain IIa
Descriptor: 5'-R(*CP*GP*GP*AP*GP*GP*AP*AP*CP*UP*AP*CP*UP*GP*UP*CP*UP*UP*CP*AP*CP*GP*CP*C)-3', 5'-R(*GP*CP*GP*(5BU)P*GP*UP*CP*GP*UP*GP*CP*AP*GP*CP*CP*(5BU)P*CP*CP*GP*G)-3', MAGNESIUM ION
Authors:Zhao, Q, Han, Q, Kissinger, C.R, Hermann, T, Thompson, P.A.
Deposit date:2007-04-23
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of hepatitis C virus IRES subdomain IIa.
Acta Crystallogr.,Sect.D, 64, 2008
2PN4
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BU of 2pn4 by Molmil
Crystal Structure of Hepatitis C Virus IRES Subdomain IIa
Descriptor: 5'-R(*CP*GP*GP*AP*GP*GP*AP*AP*CP*UP*AP*CP*UP*GP*UP*CP*UP*UP*CP*AP*CP*GP*CP*C)-3', 5'-R(*GP*CP*GP*(5BU)P*GP*UP*CP*GP*UP*GP*CP*AP*GP*CP*CP*(5BU)P*CP*CP*GP*G)-3', STRONTIUM ION
Authors:Zhao, Q, Han, Q, Kissinger, C.R, Thompson, P.A.
Deposit date:2007-04-23
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure of hepatitis C virus IRES subdomain IIa.
Acta Crystallogr.,Sect.D, 64, 2008
3GYN
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BU of 3gyn by Molmil
Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone inhibitor
Descriptor: N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2009-04-04
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
3H2L
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BU of 3h2l by Molmil
Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor
Descriptor: N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, NS5B polymerase
Authors:Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
3IGV
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BU of 3igv by Molmil
Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone inhibitor
Descriptor: N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2009-07-28
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
3BR9
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BU of 3br9 by Molmil
Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor
Descriptor: (2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)propanamide, RNA-directed RNA polymerase
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2007-12-21
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine.
Bioorg.Med.Chem.Lett., 18, 2008
3BSC
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BU of 3bsc by Molmil
Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor
Descriptor: 5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one, RNA-directed RNA polymerase
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2007-12-23
Release date:2008-12-23
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine.
Bioorg.Med.Chem.Lett., 18, 2008
3BSA
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BU of 3bsa by Molmil
Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor
Descriptor: 2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)acetamide, RNA-directed RNA polymerase
Authors:Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
Deposit date:2007-12-23
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine.
Bioorg.Med.Chem.Lett., 18, 2008
3CDE
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BU of 3cde by Molmil
Crystal structure of HCV NS5B polymerase with a novel Pyridazinone inhibitor
Descriptor: N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2008-02-26
Release date:2009-03-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments.
Bioorg.Med.Chem.Lett., 18, 2008
3D5M
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BU of 3d5m by Molmil
Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor
Descriptor: N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide, RNA-directed RNA polymerase
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2008-05-16
Release date:2009-05-19
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
3CVK
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BU of 3cvk by Molmil
Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor
Descriptor: N-{3-[1-(3,3-Dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide, RNA-directed RNA polymerase
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2008-04-18
Release date:2009-04-21
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
3D28
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BU of 3d28 by Molmil
Crystal structure of hcv ns5b polymerase with a novel benzisothiazole inhibitor
Descriptor: (5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one, RNA-directed RNA polymerase
Authors:Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
Deposit date:2008-05-07
Release date:2009-05-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
3CWJ
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BU of 3cwj by Molmil
Crystal structure of hcv ns5b polymerase with a novel pyridazinone inhibitor
Descriptor: N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
Authors:Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
Deposit date:2008-04-21
Release date:2009-04-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase
Bioorg.Med.Chem.Lett., 18, 2008
3CO9
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BU of 3co9 by Molmil
Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor
Descriptor: N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7 -yl}methanesulfonamide, RNA-directed RNA polymerase
Authors:Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
Deposit date:2008-03-27
Release date:2009-02-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
3E51
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BU of 3e51 by Molmil
Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor
Descriptor: N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
Authors:Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
Deposit date:2008-08-12
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents.
Bioorg.Med.Chem.Lett., 18, 2008
3LL8
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BU of 3ll8 by Molmil
Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
Descriptor: AKAP79 peptide, CALCIUM ION, Calcineurin subunit B type 1, ...
Authors:Li, H, Hogan, P.G.
Deposit date:2010-01-28
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Balanced interactions of calcineurin with AKAP79 regulate Ca(2+)-calcineurin-NFAT signaling.
Nat.Struct.Mol.Biol., 19, 2012
2P6B
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BU of 2p6b by Molmil
Crystal Structure of Human Calcineurin in Complex with PVIVIT Peptide
Descriptor: CALCIUM ION, Calcineurin subunit B isoform 1, Calmodulin-dependent calcineurin A subunit alpha isoform, ...
Authors:Li, H, Zhang, L, Rao, A, Harrison, S.C, Hogan, P.G.
Deposit date:2007-03-16
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of calcineurin in complex with PVIVIT peptide: Portrait of a low-affinity signalling interaction
J.Mol.Biol., 369, 2007
1P7I
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BU of 1p7i by Molmil
CRYSTAL STRUCTURE OF ENGRAILED HOMEODOMAIN MUTANT K52A
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Segmentation polarity homeobox protein engrailed
Authors:Stollar, E.J, Mayor, U, Lovell, S.C, Federici, L, Freund, S.M, Fersht, A.R, Luisi, B.F.
Deposit date:2003-05-02
Release date:2003-10-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Engrailed Homeodomain Mutants: IMPLICATIONS FOR STABILITY AND DYNAMICS
J.Biol.Chem., 278, 2003
1P7J
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BU of 1p7j by Molmil
Crystal structure of engrailed homeodomain mutant K52E
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Segmentation polarity homeobox protein engrailed
Authors:Stollar, E.J, Mayor, U, Lovell, S.C, Federici, L, Freund, S.M, Fersht, A.R, Luisi, B.F.
Deposit date:2003-05-02
Release date:2003-10-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Engrailed Homeodomain Mutants: IMPLICATIONS FOR STABILITY AND DYNAMICS
J.Biol.Chem., 278, 2003

217705

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