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1LHF
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BU of 1lhf by Molmil
HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BORO-HOMOLYS-OH
Descriptor: AC-(D)PHE-PRO-BOROHOMOLYS-OH, ALPHA-THROMBIN, HIRUDIN
Authors:Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A.
Deposit date:1994-12-27
Release date:1996-11-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
1LHC
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BU of 1lhc by Molmil
HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROARG-OH
Descriptor: AC-(D)PHE-PRO-BOROARG-OH, ALPHA-THROMBIN, HIRUDIN
Authors:Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A.
Deposit date:1994-12-27
Release date:1996-11-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
1LHE
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BU of 1lhe by Molmil
HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH
Descriptor: AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH, ALPHA-THROMBIN, HIRUDIN
Authors:Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A.
Deposit date:1994-12-27
Release date:1996-11-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
4AS9
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BU of 4as9 by Molmil
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
Descriptor: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, [(3R,5S,6R,7R,10R,11S,12E)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
Authors:Roe, S.M, Prodromou, C.
Deposit date:2012-04-30
Release date:2013-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90.
Nat Chem, 5, 2013
4ASF
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BU of 4asf by Molmil
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
Descriptor: (8S,9R,13R,14S,16R)-21-(furan-2-yl)-13-hydroxy-8,14,19-trimethoxy-16-methyl-4,10,12-trimethylidene-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),18-dien-9-yl carbamate, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, NICKEL (II) ION
Authors:Roe, S.M, Prodromou, C.
Deposit date:2012-05-01
Release date:2013-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90.
Nat Chem, 5, 2013
4ASB
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BU of 4asb by Molmil
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
Descriptor: (4E,6E,8S,9R,10E,12R,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
Authors:Roe, S.M, Prodromou, C.
Deposit date:2012-04-30
Release date:2013-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90.
Nat Chem, 5, 2013
3Q0Z
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BU of 3q0z by Molmil
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, RNA-directed RNA polymerase, SULFATE ION
Authors:Sheriff, S.
Deposit date:2010-12-16
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Syntheses and initial evaluation of a series of indolo-fused heterocyclic inhibitors of the polymerase enzyme (NS5B) of the hepatitis C virus.
Bioorg.Med.Chem.Lett., 21, 2011
2KIU
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BU of 2kiu by Molmil
Solution structure and backbone dynamics of the DNA-binding domain of FOXP1: Insight into its domain swapping
Descriptor: Forkhead box protein P1
Authors:Chuang, W, Chu, Y.
Deposit date:2009-05-11
Release date:2010-04-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of the DNA-binding domain of FOXP1: Insight into its domain swapping and DNA binding.
Protein Sci., 20, 2011
3TY0
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BU of 3ty0 by Molmil
Structure of PPARgamma ligand binding domain in complex with (R)-5-(3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-5-methyloxazolidine-2,4-dione
Descriptor: (5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Soisson, S.M, Meinke, P.M, McKeever, B, Liu, W.
Deposit date:2011-09-23
Release date:2011-11-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Benzimidazolones: a new class of selective peroxisome proliferator-activated receptor gamma (PPAR-gamma) modulators.
J.Med.Chem., 54, 2011
2R7E
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BU of 2r7e by Molmil
Crystal Structure Analysis of Coagulation Factor VIII
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ...
Authors:Stoddard, B.L, Shen, B.W.
Deposit date:2007-09-07
Release date:2008-04-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:The tertiary structure and domain organization of coagulation factor VIII.
Blood, 111, 2008
4NLD
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BU of 4nld by Molmil
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide
Descriptor: (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, ...
Authors:Sheriff, S.
Deposit date:2013-11-14
Release date:2014-03-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase.
J.Med.Chem., 57, 2014
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