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2F32
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Xray crystal structure of lysozyme mutant L20/R63A liganded to ethylguanidinium
Descriptor: BETA-MERCAPTOETHANOL, Lysozyme, N-ETHYLGUANIDINE
Authors:Yousef, M.S, Bischoff, N, Dyer, C.M, Baase, W.A, Matthews, B.W.
Deposit date:2005-11-18
Release date:2006-04-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Guanidinium derivatives bind preferentially and trigger long-distance conformational changes in an engineered T4 lysozyme.
Protein Sci., 15, 2006
2F64
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BU of 2f64 by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.6 A resolution with 1-METHYLQUINOLIN-2(1H)-ONE bound
Descriptor: 1-METHYLQUINOLIN-2(1H)-ONE, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ...
Authors:Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-11-28
Release date:2005-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
2CVY
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BU of 2cvy by Molmil
Structures of Yeast Ribonucleotide Reductase I
Descriptor: 9-per peptide from Ribonucleoside-diphosphate reductase small chain 1, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large chain 1, ...
Authors:Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
Deposit date:2005-06-14
Release date:2006-03-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
2CVW
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BU of 2cvw by Molmil
Structures of Yeast Ribonucleotide Reductase I
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large chain 1, ...
Authors:Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C.
Deposit date:2005-06-14
Release date:2006-03-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation
Proc.Natl.Acad.Sci.Usa, 103, 2006
2FVJ
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BU of 2fvj by Molmil
A novel anti-adipogenic partial agonist of peroxisome proliferator-activated receptor-gamma (PPARG) recruits pparg-coactivator-1 alpha (PGC1A) but potentiates insulin signaling in vitro
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE, GLYCEROL, Nuclear receptor coactivator 1, ...
Authors:Benz, J, Burgermeister, E, Flament, A, Schnoebelen, A, Stihle, M, Gsell, B, Rufer, A, Ruf, A, Kuhn, B, Maerki, H.P, Mizrahi, J, Sebokova, E, Niesor, E, Meyer, M.
Deposit date:2006-01-31
Release date:2006-05-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A novel partial agonist of peroxisome proliferator-activated receptor-gamma (PPARgamma) recruits PPARgamma-coactivator-1alpha, prevents triglyceride accumulation, and potentiates insulin signaling in vitro
Mol.Endocrinol., 20, 2006
2G2O
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Structure of E.coli FabD complexed with sulfate
Descriptor: Malonyl CoA-acyl carrier protein transacylase, SULFATE ION
Authors:Oefner, C.
Deposit date:2006-02-16
Release date:2006-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography.
Acta Crystallogr.,Sect.D, 62, 2006
2D7Z
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BU of 2d7z by Molmil
Aspartate Aminotransferase Mutant MAB Complexed with Maleic Acid
Descriptor: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Tanaka, Y, Nakagawa, N, Tada, H, Yano, T, Masui, R, Kuramitsu, S.
Deposit date:2005-11-30
Release date:2006-11-14
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Structures of Aspartate Aminotransferase with Mutations of Non-Active-Site Residues
To be Published
2D66
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BU of 2d66 by Molmil
Aspartate Aminotransferase Mutant MAB
Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Tanaka, Y, Nakagawa, N, Tada, H, Yano, T, Masui, R, Kuramitsu, S.
Deposit date:2005-11-09
Release date:2006-11-14
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:The Structures of Aspartate Aminotransferase with Mutations of Non-Active-Site Residues
To be Published
3IKD
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BU of 3ikd by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
Descriptor: (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Matthews, D, Greasley, S, Ferre, R, Parge, H.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
2D65
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BU of 2d65 by Molmil
Aspartate Aminotransferase Mutant MABC
Descriptor: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Tanaka, Y, Nakagawa, N, Tada, H, Yano, T, Masui, R, Kuramitsu, S.
Deposit date:2005-11-09
Release date:2006-11-14
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structures of Aspartate Aminotransferase with Mutations of Non-Active-Site Residues
To be Published
3IG8
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BU of 3ig8 by Molmil
Saccharomyces cerevisiae glutamate cysteine ligase in complex with Mg2+, L-glutamate and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLUTAMIC ACID, Glutamate-cysteine ligase, ...
Authors:Biterova, E, Barycki, J.J.
Deposit date:2009-07-27
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Mechanistic details of glutathione biosynthesis revealed by crystal structures of Saccharomyces cerevisiae glutamate cysteine ligase.
J.Biol.Chem., 284, 2009
3NQ8
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BU of 3nq8 by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R4 8/5A
Descriptor: BENZAMIDINE, NITRATE ION, deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
1AJ2
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BU of 1aj2 by Molmil
CRYSTAL STRUCTURE OF A BINARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE
Descriptor: DIHYDROPTEROATE SYNTHASE, SULFATE ION, [7,8-DIHYDRO-PTERIN-6-YL METHANYL]-PHOSPHONOPHOSPHATE
Authors:Achari, A, Somers, D.O, Champness, J.N, Bryant, P.K, Rosemond, J, Stammers, D.K.
Deposit date:1997-05-14
Release date:1998-05-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the anti-bacterial sulfonamide drug target dihydropteroate synthase.
Nat.Struct.Biol., 4, 1997
1U5M
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BU of 1u5m by Molmil
Structure of a Chordin-like Cysteine-rich Repeat (VWC module) from Collagen IIA
Descriptor: alpha 1 type II collagen isoform 1
Authors:O'Leary, J.M, Hamilton, J.m, Deane, C.M, Valeyev, N.V, Sandell, L.J, Downing, A.K.
Deposit date:2004-07-28
Release date:2004-10-05
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Solution structure and dynamics of a prototypical chordin-like cysteine-rich repeat (von Willebrand Factor type C module) from collagen IIA
J.Biol.Chem., 279, 2004
3O05
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BU of 3o05 by Molmil
Crystal Structure of Yeast Pyridoxal 5-Phosphate Synthase Snz1 Complxed with Substrate PLP
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Pyridoxine biosynthesis protein SNZ1
Authors:Teng, Y.B, Zhang, X, He, Y.X, Hu, H.X, Zhou, C.Z.
Deposit date:2010-07-19
Release date:2010-11-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the catalytic mechanism of the yeast pyridoxal 5-phosphate synthase Snz1
Biochem.J., 432, 2010
3IG5
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BU of 3ig5 by Molmil
Saccharomyces cerevisiae glutamate cysteine ligase in complex with Mg2+ and L-glutamate
Descriptor: GLUTAMIC ACID, Glutamate-cysteine ligase, MAGNESIUM ION, ...
Authors:Biterova, E, Barycki, J.J.
Deposit date:2009-07-27
Release date:2009-09-01
Last modified:2012-12-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanistic details of glutathione biosynthesis revealed by crystal structures of Saccharomyces cerevisiae glutamate cysteine ligase.
J.Biol.Chem., 284, 2009
1B66
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BU of 1b66 by Molmil
6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE
Descriptor: 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE, BIOPTERIN, ZINC ION
Authors:Ploom, T, Thoeny, B, Yim, J, Lee, S, Nar, H, Leimbacher, W, Huber, R, Richardson, J, Auerbach, G.
Deposit date:1999-01-20
Release date:1999-04-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic and kinetic investigations on the mechanism of 6-pyruvoyl tetrahydropterin synthase.
J.Mol.Biol., 286, 1999
3O06
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BU of 3o06 by Molmil
Crystal Structure of yeast pyridoxal 5-phosphate synthase Snz1
Descriptor: Pyridoxine biosynthesis protein SNZ1
Authors:Teng, Y.B, Zhang, X, Zhou, C.Z, Hu, H.X.
Deposit date:2010-07-19
Release date:2010-11-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into the catalytic mechanism of the yeast pyridoxal 5-phosphate synthase Snz1
Biochem.J., 432, 2010
3IK8
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BU of 3ik8 by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Matthews, D, Greasley, S, Ferre, R.A, Parge, H.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
3NPV
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BU of 3npv by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution
Descriptor: deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
8S9M
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BU of 8s9m by Molmil
DNA cytosine-N4 methyltransferase (residues 79-324) from the Bdelloid rotifer Adineta vaga
Descriptor: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-03-29
Release date:2023-08-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
8S9N
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BU of 8s9n by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - C2 crystal form
Descriptor: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-03-29
Release date:2023-08-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
8S9O
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BU of 8s9o by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - P1 crystal form
Descriptor: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-03-29
Release date:2023-08-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
3NQ2
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BU of 3nq2 by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R2 3/5G
Descriptor: IMIDAZOLE, deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NR0
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BU of 3nr0 by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R6 6/10A
Descriptor: deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-30
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011

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