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2SGE
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BU of 2sge by Molmil
GLU 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 10.7
分子名称: Ovomucoid, PHOSPHATE ION, POTASSIUM ION, ...
著者Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G.
登録日1999-03-25
公開日2003-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
2NU2
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BU of 2nu2 by Molmil
Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I
分子名称: Ovomucoid, Streptogrisin B, Protease B
著者Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
登録日2006-11-08
公開日2006-11-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I
To be Published
3HJV
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BU of 3hjv by Molmil
1.7 Angstrom resolution crystal structure of an acyl carrier protein S-malonyltransferase from Vibrio cholerae O1 biovar eltor str. N16961
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, Malonyl Coa-acyl carrier protein transacylase, ...
著者Halavaty, A.S, Wawrzak, Z, Anderson, S, Skarina, T, Onopriyenko, O, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-05-22
公開日2009-06-09
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1.7 Angstrom resolution crystal structure of an acyl carrier protein S-malonyltransferase from Vibrio cholerae O1 biovar eltor str. N16961
To be Published
3KHM
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BU of 3khm by Molmil
Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with inhibitor fluconazole
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14 alpha-demethylase
著者Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R.
登録日2009-10-30
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
3KSW
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BU of 3ksw by Molmil
Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with an inhibitor VNF ((4-(4-chlorophenyl)-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]benzamide)
分子名称: 4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase
著者Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R.
登録日2009-11-23
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
1CT2
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BU of 1ct2 by Molmil
CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-THR18I IN COMPLEX WITH SGPB
分子名称: OVOMUCOID INHIBITOR, PROTEINASE B
著者Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.
登録日1999-08-18
公開日2000-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
1CT4
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BU of 1ct4 by Molmil
CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-VAL18I IN COMPLEX WITH SGPB
分子名称: OVOMUCOID INHIBITOR, PROTEINASE B
著者Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
登録日1999-08-18
公開日2000-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
1L7B
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BU of 1l7b by Molmil
Solution NMR Structure of BRCT Domain of T. Thermophilus: Northeast Structural Genomics Consortium Target WR64TT
分子名称: DNA LIGASE
著者Sahota, G, Dixon, B.L, Huang, Y.P, Aramini, J, Monleon, D, Bhattacharya, D, Swapna, G.V.T, Yin, C, Xiao, R, Anderson, S, Tejero, R, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2002-03-14
公開日2003-09-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of the Brct Domain from Thermus Thermophilus DNA Ligase
To be Published
3K1O
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BU of 3k1o by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with a potential antichagasic drug, posaconazole
分子名称: 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-O-{4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1H-1,2,4-triazol-1-yl)-D-erythro-hexitol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14 alpha-demethylase
著者Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R.
登録日2009-09-28
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
1CSO
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BU of 1cso by Molmil
CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-ILE18I IN COMPLEX WITH SGPB
分子名称: OVOMUCOID INHIBITOR, PROTEINASE B
著者Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
登録日1999-08-18
公開日2000-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
1CT0
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BU of 1ct0 by Molmil
CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-SER18I IN COMPLEX WITH SGPB
分子名称: OVOMUCOID INHIBITOR, PROTEINASE B
著者Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
登録日1999-08-18
公開日2000-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
1DS2
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BU of 1ds2 by Molmil
CRYSTAL STRUCTURE OF SGPB:OMTKY3-COO-LEU18I
分子名称: OVOMUCOID, PROTEINASE B (SGPB)
著者Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
登録日2000-01-06
公開日2001-01-31
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
1DS3
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BU of 1ds3 by Molmil
CRYSTAL STRUCTURE OF OMTKY3-CH2-ASP19I
分子名称: OVOMUCOID
著者Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
登録日2000-01-06
公開日2001-01-31
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
3SGQ
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BU of 3sgq by Molmil
GLN 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 10.7
分子名称: Ovomucoid, PHOSPHATE ION, Streptogrisin B
著者Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G.
登録日1999-03-25
公開日2003-08-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pH's
To be Published
4MLG
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BU of 4mlg by Molmil
Structure of RS223-Beta-xylosidase
分子名称: Beta-xylosidase, CALCIUM ION, SULFATE ION
著者Jordan, D, Braker, J, Wagschal, K, Lee, C, Dubrovska, I, Anderson, S, Wawrzak, Z.
登録日2013-09-06
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of RS223-Beta-xylosidase
To be Published
5LXR
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BU of 5lxr by Molmil
Structure of the minimal RBM7 - ZCCHC8 Complex
分子名称: BROMIDE ION, CHLORIDE ION, RNA-binding protein 7, ...
著者Falk, S, Finogenova, K, Benda, C, Conti, E.
登録日2016-09-22
公開日2016-12-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the RBM7-ZCCHC8 core of the NEXT complex reveals connections to splicing factors.
Nat Commun, 7, 2016
5LXY
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BU of 5lxy by Molmil
Structure of the minimal RBM7 - ZCCHC8 Complex
分子名称: BROMIDE ION, RNA-binding protein 7, Zinc finger CCHC domain-containing protein 8
著者Falk, S, Finogenova, K, Benda, C, Conti, E.
登録日2016-09-23
公開日2016-12-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure of the RBM7-ZCCHC8 core of the NEXT complex reveals connections to splicing factors.
Nat Commun, 7, 2016
1M9H
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BU of 1m9h by Molmil
Corynebacterium 2,5-DKGR A and Phe 22 replaced with Tyr (F22Y), Lys 232 replaced with Gly (K232G), Arg 238 replaced with His (R238H)and Ala 272 replaced with Gly (A272G)in presence of NADH cofactor
分子名称: 2,5-diketo-D-gluconic acid reductase A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Sanli, G, Blaber, M.
登録日2002-07-29
公開日2003-08-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural alteration of cofactor specificity in Corynebacterium 2,5-diketo-D-gluconic acid reductase
Protein Sci., 13, 2004
3IPY
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BU of 3ipy by Molmil
X-Ray structure of Human Deoxycytidine Kinase in complex with an inhibitor
分子名称: 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine, D-MALATE, Deoxycytidine kinase
著者Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G.
登録日2009-08-18
公開日2010-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3IPX
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BU of 3ipx by Molmil
X-Ray structure of Human Deoxycytidine Kinase in complex with ADP and an inhibitor
分子名称: 2'-deoxy-5-fluorocytidine, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, ...
著者Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G.
登録日2009-08-18
公開日2010-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
1SGP
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BU of 1sgp by Molmil
ALA 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
分子名称: PHOSPHATE ION, STREPTOMYCES GRISEUS PROTEINASE B, TURKEY OVOMUCOID INHIBITOR
著者Huang, K, James, M.N.G.
登録日1995-05-26
公開日1995-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
1SGQ
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BU of 1sgq by Molmil
GLY 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
分子名称: PHOSPHATE ION, STREPTOMYCES GRISEUS PROTEINASE B, TURKEY OVOMUCOID INHIBITOR
著者Huang, K, James, M.N.G.
登録日1995-05-26
公開日1995-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
1SGR
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BU of 1sgr by Molmil
LEU 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
分子名称: PHOSPHATE ION, STREPTOMYCES GRISEUS PROTEINASE B, TURKEY OVOMUCOID INHIBITOR
著者Huang, K, James, M.N.G.
登録日1995-05-26
公開日1995-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
2QWS
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BU of 2qws by Molmil
Neutron and X-ray structural studies of short hydrogen bonds in Photoactive Yellow Protein (PYP)
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Fisher, S.Z, Langan, P.
登録日2007-08-10
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Neutron and X-ray structural studies of short hydrogen bonds in photoactive yellow protein (PYP)
Acta Crystallogr.,Sect.D, 63, 2007
2KP8
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BU of 2kp8 by Molmil
Ligand bound to a model peptide that mimics the open fusogenic form
分子名称: 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid, Model peptide
著者Olejniczak, E.T.
登録日2009-10-09
公開日2010-01-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Non-peptide entry inhibitors of HIV-1 that target the gp41 coiled coil pocket.
Bioorg.Med.Chem.Lett., 20, 2010

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