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3Q1Y
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BU of 3q1y by Molmil
Allosteric regulation by Lysine residue: A novel anion-hole formation in the ribokinase family
Descriptor: GLYCEROL, Lin2199 protein, POTASSIUM ION
Authors:Satyanarayana, L, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-12-18
Release date:2011-01-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Allosteric regulation by Lysine residue: A novel anion-hole formation in the ribokinase family
To be Published
3QQP
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BU of 3qqp by Molmil
Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Urea Inhibitor
Descriptor: 3,4-dihydroquinolin-1(2H)-yl[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Loenze, P, Schimanski-Breves, S, Engel, C.K.
Deposit date:2011-02-16
Release date:2012-02-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11beta-hydroxysteroid-dehydrogenase type 1.
Bioorg.Med.Chem.Lett., 21, 2011
1VBE
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BU of 1vbe by Molmil
POLIOVIRUS (TYPE 3, SABIN STRAIN, MUTANT 242-H2) COMPLEXED WITH R78206
Descriptor: (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
4CS4
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BU of 4cs4 by Molmil
Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, Y384F in complex with AMPPNP
Descriptor: 1,2-ETHANEDIOL, 2-{[dihydroxy(4-aminoethylphenyl)-{4}-sulfanyl]amino}-3-hydroxypropanoic acid, MAGNESIUM ION, ...
Authors:Schmidt, M.J, Weber, A, Pott, M, Welte, W, Summerer, D.
Deposit date:2014-03-04
Release date:2014-04-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.349 Å)
Cite:Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells.
Chembiochem, 15, 2014
4CS2
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BU of 4cs2 by Molmil
Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, Y384F in its apo form
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRROLYSINE--TRNA LIGASE
Authors:Schmidt, M.J, Weber, A, Pott, M, Welte, W, Summerer, D.
Deposit date:2014-03-04
Release date:2014-04-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells.
Chembiochem, 15, 2014
4BJY
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BU of 4bjy by Molmil
Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: Platinum derivative
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL, ...
Authors:Orru, R, Montersino, S, Barendregt, A, Westphal, A.H, van Duijn, E, Mattevi, A, van Berkel, W.J.H.
Deposit date:2013-04-21
Release date:2013-07-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy for Regioselective Aromatic Hydroxylation
J.Biol.Chem., 288, 2013
4BJZ
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BU of 4bjz by Molmil
Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: Native data
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL, ...
Authors:Orru, R, Montersino, S, Barendregt, A, Westphal, A.H, van Duijn, E, Mattevi, A, van Berkel, W.J.H.
Deposit date:2013-04-21
Release date:2013-07-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy for Regioselective Aromatic Hydroxylation
J.Biol.Chem., 288, 2013
4BAB
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BU of 4bab by Molmil
Redesign of a Phenylalanine Aminomutase into a beta-Phenylalanine Ammonia Lyase
Descriptor: PHENYLALANINE AMINOMUTASE
Authors:Bartsch, S, Wybenga, G.G, Jansen, M, Heberling, M.M, Wu, B, Dijkstra, B.W, Janssen, D.B.
Deposit date:2012-09-12
Release date:2013-01-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Redesign of a Phenylalanine Aminomutase Into a Phenylalanine Ammonia Lyase
To be Published
4BK1
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BU of 4bk1 by Molmil
Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: H213S mutant in complex with 3-hydroxybenzoate
Descriptor: 3-HYDROXYBENZOIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Orru, R, Montersino, S, Barendregt, A, Westphal, A.H, van Duijn, E, Mattevi, A, van Berkel, W.J.H.
Deposit date:2013-04-21
Release date:2013-07-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy for Regioselective Aromatic Hydroxylation
J.Biol.Chem., 288, 2013
1XE4
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BU of 1xe4 by Molmil
Crystal Structure of Weissella viridescens FemX (K36M) Mutant
Descriptor: FemX, MAGNESIUM ION
Authors:Biarrotte-Sorin, S, Maillard, A.P, Arthur, M, Mayer, C.
Deposit date:2004-09-09
Release date:2005-05-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Site-Directed Mutagenesis of the UDP-MurNAc-Pentapeptide-Binding Cavity of the FemX Alanyl Transferase from Weissella viridescens
J.Bacteriol., 187, 2005
1XFH
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BU of 1xfh by Molmil
Structure of glutamate transporter homolog from Pyrococcus horikoshii
Descriptor: proton glutamate symport protein
Authors:Yernool, D, Boudker, O, Jin, Y, Gouaux, E.
Deposit date:2004-09-14
Release date:2004-10-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a glutamate transporter homologue from Pyrococcus horikoshii
Nature, 431, 2004
1XC1
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BU of 1xc1 by Molmil
Oxo Zirconium(IV) Cluster in the Ferric Binding Protein (FBP)
Descriptor: OXO ZIRCONIUM(IV) CLUSTER, periplasmic iron-binding protein
Authors:Zhong, W, Alexeev, D, Harvey, I, Guo, M, Hunter, D.J.B, Zhu, H, Campopiano, D.J, Sadler, P.J.
Deposit date:2004-08-31
Release date:2004-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Assembly of an Oxo-Zirconium(IV) Cluster in a Protein Cleft
Angew.Chem.Int.Ed.Engl., 43, 2004
1VBA
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BU of 1vba by Molmil
POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R78206
Descriptor: (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
4D7E
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BU of 4d7e by Molmil
An unprecedented NADPH domain conformation in Lysine Monooxygenase NbtG from Nocardia farcinica
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, L-LYS MONOOXYGENASE
Authors:Binda, C, Robinson, R, Keul, N, Rodriguez, P, Robinson, H.H, Mattevi, A, Sobrado, P.
Deposit date:2014-11-24
Release date:2015-04-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An Unprecedented Nadph Domain Conformation in Lysine Monooxygenase Nbtg Provides Insights Into Uncoupling of Oxygen Consumption from Substrate Hydroxylation.
J.Biol.Chem., 290, 2015
3R6V
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BU of 3r6v by Molmil
Crystal structure of aspartase from Bacillus sp. YM55-1 with bound L-aspartate
Descriptor: ASPARTIC ACID, Aspartase, CALCIUM ION
Authors:Fibriansah, G, Puthan Veetil, V, Poelarends, G.J, Thunnissen, A.-M.W.H.
Deposit date:2011-03-22
Release date:2011-07-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the catalytic mechanism of aspartate ammonia lyase.
Biochemistry, 50, 2011
3RLK
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BU of 3rlk by Molmil
Crystal structure of the read-through domain from bacteriophage Qbeta A1 protein, monoclinic crystal form
Descriptor: A1 protein, TETRAETHYLENE GLYCOL
Authors:Rumnieks, J, Tars, K.
Deposit date:2011-04-19
Release date:2011-09-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of the read-through domain from bacteriophage Qbeta A1 protein
Protein Sci., 20, 2011
1XIX
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BU of 1xix by Molmil
Crystal Structure of Weissella viridescens FemX Form II
Descriptor: FemX
Authors:Biarrotte-Sorin, S, Maillard, A.P, Arthur, M, Mayer, C.
Deposit date:2004-09-22
Release date:2005-05-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Site-Directed Mutagenesis of the UDP-MurNAc-Pentapeptide-Binding Cavity of the FemX Alanyl Transferase from Weissella viridescens
J.Bacteriol., 187, 2005
5TNH
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BU of 5tnh by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 17,18-EpETE hydrolysis intermediate
Descriptor: (5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNS
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BU of 5tns by Molmil
Crystal structure of the D129S mutant of the CFTR inhibitory factor Cif containing 1,2-Epoxycyclohexane
Descriptor: (1R,6S)-7-oxabicyclo[4.1.0]heptane, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNF
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BU of 5tnf by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 19,20-EpDPE hydrolysis intermediate
Descriptor: (4Z,7Z,10Z,13Z,16Z,19R,20R)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNQ
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BU of 5tnq by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (R)-Styrene oxide hydrolysis intermediate
Descriptor: (1R)-1-phenylethane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNN
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BU of 5tnn by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (S)-1,2-Epoxyoctane hydrolysis intermediate
Descriptor: (2R)-octane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
3OPZ
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BU of 3opz by Molmil
Crystal structure of trans-sialidase in complex with the Fab fragment of a neutralizing monoclonal IgG antibody
Descriptor: 1,4-DIETHYLENE DIOXIDE, SODIUM ION, Trans-sialidase, ...
Authors:Larrieux, N, Muia, R, Campetella, O, Buschiazzo, A.
Deposit date:2010-09-02
Release date:2011-11-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Trypanosoma cruzi trans-sialidase in complex with a neutralizing antibody: structure/function studies towards the rational design of inhibitors.
Plos Pathog., 8, 2012
5TNL
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BU of 5tnl by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (S)-1,2-Epoxyhexane hydrolysis intermediate
Descriptor: (2R)-hexane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TND
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BU of 5tnd by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 1,2-Epoxycyclohexane hydrolysis intermediate
Descriptor: (1R,2R)-cyclohexane-1,2-diol, (1S,2S)-cyclohexane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017

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