2SGE
 
 | | GLU 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 10.7 | | Descriptor: | Ovomucoid, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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
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2NU2
 | | Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I | | Descriptor: | Ovomucoid, Streptogrisin B, Protease B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2006-11-08 | | Release date: | 2006-11-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 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
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3HJV
 | | 1.7 Angstrom resolution crystal structure of an acyl carrier protein S-malonyltransferase from Vibrio cholerae O1 biovar eltor str. N16961 | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, Malonyl Coa-acyl carrier protein transacylase, ... | | Authors: | 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) | | Deposit date: | 2009-05-22 | | Release date: | 2009-06-09 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1.7 Angstrom resolution crystal structure of an acyl carrier protein S-malonyltransferase from Vibrio cholerae O1 biovar eltor str. N16961
To be Published
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3KHM
 | | Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with inhibitor fluconazole | | Descriptor: | 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 | | Authors: | Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R. | | Deposit date: | 2009-10-30 | | Release date: | 2009-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
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3KSW
 | | 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) | | Descriptor: | 4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | | Authors: | Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R. | | Deposit date: | 2009-11-23 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
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1CT2
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-THR18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 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
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1CT4
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-VAL18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 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
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1L7B
 | | Solution NMR Structure of BRCT Domain of T. Thermophilus: Northeast Structural Genomics Consortium Target WR64TT | | Descriptor: | DNA LIGASE | | Authors: | 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) | | Deposit date: | 2002-03-14 | | Release date: | 2003-09-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of the Brct Domain from Thermus Thermophilus DNA Ligase
To be Published
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3K1O
 | | Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with a potential antichagasic drug, posaconazole | | Descriptor: | 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 | | Authors: | Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R. | | Deposit date: | 2009-09-28 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
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1CSO
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-ILE18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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
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1CT0
 | | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-SER18I IN COMPLEX WITH SGPB | | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-08-18 | | Release date: | 2000-01-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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
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1DS2
 | | CRYSTAL STRUCTURE OF SGPB:OMTKY3-COO-LEU18I | | Descriptor: | OVOMUCOID, PROTEINASE B (SGPB) | | Authors: | Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2000-01-06 | | Release date: | 2001-01-31 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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
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1DS3
 | | CRYSTAL STRUCTURE OF OMTKY3-CH2-ASP19I | | Descriptor: | OVOMUCOID | | Authors: | Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2000-01-06 | | Release date: | 2001-01-31 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 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
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3SGQ
 | | GLN 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 10.7 | | Descriptor: | Ovomucoid, PHOSPHATE ION, Streptogrisin B | | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 1999-03-25 | | Release date: | 2003-08-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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
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4MLG
 | | Structure of RS223-Beta-xylosidase | | Descriptor: | Beta-xylosidase, CALCIUM ION, SULFATE ION | | Authors: | Jordan, D, Braker, J, Wagschal, K, Lee, C, Dubrovska, I, Anderson, S, Wawrzak, Z. | | Deposit date: | 2013-09-06 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of RS223-Beta-xylosidase
To be Published
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5LXR
 | | Structure of the minimal RBM7 - ZCCHC8 Complex | | Descriptor: | BROMIDE ION, CHLORIDE ION, RNA-binding protein 7, ... | | Authors: | Falk, S, Finogenova, K, Benda, C, Conti, E. | | Deposit date: | 2016-09-22 | | Release date: | 2016-12-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the RBM7-ZCCHC8 core of the NEXT complex reveals connections to splicing factors.
Nat Commun, 7, 2016
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5LXY
 | | Structure of the minimal RBM7 - ZCCHC8 Complex | | Descriptor: | BROMIDE ION, RNA-binding protein 7, Zinc finger CCHC domain-containing protein 8 | | Authors: | Falk, S, Finogenova, K, Benda, C, Conti, E. | | Deposit date: | 2016-09-23 | | Release date: | 2016-12-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure of the RBM7-ZCCHC8 core of the NEXT complex reveals connections to splicing factors.
Nat Commun, 7, 2016
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1M9H
 | | 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 | | Descriptor: | 2,5-diketo-D-gluconic acid reductase A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Sanli, G, Blaber, M. | | Deposit date: | 2002-07-29 | | Release date: | 2003-08-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural alteration of cofactor specificity in Corynebacterium 2,5-diketo-D-gluconic acid reductase
Protein Sci., 13, 2004
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3IPY
 | | X-Ray structure of Human Deoxycytidine Kinase in complex with an inhibitor | | Descriptor: | 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine, D-MALATE, Deoxycytidine kinase | | Authors: | Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G. | | Deposit date: | 2009-08-18 | | Release date: | 2010-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3IPX
 | | X-Ray structure of Human Deoxycytidine Kinase in complex with ADP and an inhibitor | | Descriptor: | 2'-deoxy-5-fluorocytidine, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, ... | | Authors: | Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G. | | Deposit date: | 2009-08-18 | | Release date: | 2010-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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1SGP
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1SGQ
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1SGR
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2QWS
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2KP8
 | | Ligand bound to a model peptide that mimics the open fusogenic form | | Descriptor: | 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid, Model peptide | | Authors: | Olejniczak, E.T. | | Deposit date: | 2009-10-09 | | Release date: | 2010-01-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Non-peptide entry inhibitors of HIV-1 that target the gp41 coiled coil pocket.
Bioorg.Med.Chem.Lett., 20, 2010
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