3PDE
 
 | | Crystal structure of geranylgeranyl pyrophosphate synthase from Lactobacillus brevis atcc 367 complexed with isoprenyl diphosphate and magnesium | | Descriptor: | DIMETHYLALLYL DIPHOSPHATE, Farnesyl-diphosphate synthase, GLYCEROL, ... | | Authors: | Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Burley, S.K, Poulter, C.D, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-10-22 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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2XDU
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 1-CHLORO-4-METHYLPHTHALAZINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA, ... | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-05-07 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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3ZPR
 | | Thermostabilised turkey beta1 adrenergic receptor with 4-methyl-2-(piperazin-1-yl) quinoline bound | | Descriptor: | 4-METHYL-2-(PIPERAZIN-1-YL) QUINOLINE, BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Christopher, J.A, Congreve, M, Dore, A.S, Marshall, F.H, Myszka, D.G, Brown, J, Koglin, M, Tehan, B, Errey, J.C, Tate, C.G, Warne, T. | | Deposit date: | 2013-03-01 | | Release date: | 2013-04-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design.
J.Med.Chem., 56, 2013
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3Q1O
 | | Crystal structure of geranyltransferase from helicobacter pylori complexed with magnesium and isoprenyl diphosphate | | Descriptor: | DIMETHYLALLYL DIPHOSPHATE, Geranyltranstransferase (IspA), MAGNESIUM ION, ... | | Authors: | Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Burley, S.K, Poulter, C.D, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-12-17 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3QU9
 | | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp13asn mutant complexed with magnesium and tartrate | | Descriptor: | CHLORIDE ION, GLYCEROL, INORGANIC PYROPHOSPHATASE, ... | | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | | Deposit date: | 2011-02-23 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
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2Y3N
 | | Type II cohesin-dockerin domain from Bacteroides cellolosolvens | | Descriptor: | CALCIUM ION, CELLULOSOMAL FAMILY-48 PROCESSIVE GLYCOSIDE HYDROLASE, CELLULOSOMAL SCAFFOLDIN | | Authors: | Viegas, A, Carvalho, A.L, Romao, M.J, Prates, J.A.M, Fontes, C.M.G.A. | | Deposit date: | 2010-12-22 | | Release date: | 2012-01-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Type II Cohesin-Dockerin Domain from Bacteroides Cellolosolvens
To be Published
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2Y6O
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4CRS
 | | Human Protein Kinase N2 (PKN2, PRKCL2) in complex with ATPgammaS | | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SERINE/THREONINE-PROTEIN KINASE N2, ... | | Authors: | Mathea, S, Elkins, J.M, Shrestha, L, Szklarz, M, Tallant, C, Newman, J.A, Cooper, C.D, Shrestha, B, Tumber, A, Cocking, R, Salah, E, von Delft, F, Arrowsmith, C, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2014-02-28 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure of Pkn2
To be Published
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2XQO
 | | CtCel124: a cellulase from Clostridium thermocellum | | Descriptor: | Dockerin type 1, NICKEL (II) ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Carvalho, A.L, Verze, G, Bras, J.L.A, Cartmell, A, Bayer, E.A, Vazana, Y, Correia, M.A.S, Prates, J.A.M, Gilbert, H.J, Fontes, C.M.G.A, Romao, M.J. | | Deposit date: | 2010-09-06 | | Release date: | 2011-03-02 | | Last modified: | 2021-02-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural Insights Into a Unique Cellulase Fold and Mechanism of Cellulose Hydrolysis
Proc.Natl.Acad.Sci.USA, 108, 2011
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3NGP
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3QXG
 | | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron complexed with calcium, a closed cap conformation | | Descriptor: | ACETATE ION, CALCIUM ION, INORGANIC PYROPHOSPHATASE, ... | | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | | Deposit date: | 2011-03-01 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
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4D0R
 | | Mtb InhA complex with Pyradizinone compound 1 | | Descriptor: | 4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Lange, S. | | Deposit date: | 2014-04-29 | | Release date: | 2015-05-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Pyridazinones: A Novel Scaffold with Excellent Physicochemical Properties and Safety Profile for a Clinically Validated Target of Mycobacterium Tuberculosis
To be Published
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3QUB
 | | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, glu47ala mutant complexed with sulfate | | Descriptor: | INORGANIC PYROPHOSPHATASE, SULFATE ION | | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | | Deposit date: | 2011-02-23 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
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3QU4
 | | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp13ala mutant | | Descriptor: | ACETATE ION, CHLORIDE ION, INORGANIC PYROPHOSPHATASE, ... | | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | | Deposit date: | 2011-02-23 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
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3QX7
 | | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron complexed with phosphate, a closed cap conformation | | Descriptor: | INORGANIC PYROPHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION | | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | | Deposit date: | 2011-03-01 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
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4CK0
 | | Crystal structure of the integral membrane diacylglycerol kinase - form 2 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DIACYLGLYCEROL KINASE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Li, D, Lyons, J.A, Vogeley, L, Aragao, D, Caffrey, M. | | Deposit date: | 2013-12-23 | | Release date: | 2015-01-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.924 Å) | | Cite: | Crystal Structure of the Integral Membrane Diacylglycerol Kinase with Zn-Amppcp Bound and its Catalytic Mechanism
To be Published
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2XYU
 | | Crystal structure of EphA4 kinase domain in complex with VUF 12058 | | Descriptor: | 5-(5-FLUORO-2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[3,4-C]ISOQUINOLIN-1-AMINE, EPHRIN TYPE-A RECEPTOR 4,, GLYCEROL | | Authors: | Farenc, C.J.A, Celie, P.H.N, vanLinden, O.P.J, Siegal, G. | | Deposit date: | 2010-11-19 | | Release date: | 2011-11-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.117 Å) | | Cite: | Fragment Based Lead Discovery of Small Molecule Inhibitors for the Epha4 Receptor Tyrosine Kinase.
Eur.J.Med.Chem., 47, 2012
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3ZPQ
 | | Thermostabilised turkey beta1 adrenergic receptor with 4-(piperazin-1- yl)-1H-indole bound (compound 19) | | Descriptor: | 4-(PIPERAZIN-1-YL)-1H-INDOLE, BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Christopher, J.A, Congreve, M, Dore, A.S, Marshall, F.H, Myszka, D.G, Brown, J, Koglin, M, Tehan, B, Errey, J.C, Tate, C.G, Warne, T. | | Deposit date: | 2013-03-01 | | Release date: | 2013-04-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design.
J.Med.Chem., 56, 2013
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3QUQ
 | | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, an open cap conformation | | Descriptor: | CHLORIDE ION, FORMIC ACID, INORGANIC PYROPHOSPHATASE, ... | | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | | Deposit date: | 2011-02-24 | | Release date: | 2011-04-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
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3QU5
 | | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp11asn mutant | | Descriptor: | CHLORIDE ION, INORGANIC PYROPHOSPHATASE | | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | | Deposit date: | 2011-02-23 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
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3QQV
 | | Crystal structure of geranylgeranyl pyrophosphate synthase from corynebacterium glutamicum complexed with isoprenyl diphosphate and magnesium | | Descriptor: | DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, Geranylgeranyl pyrophosphate synthase, ... | | Authors: | Patskovsky, Y, Toro, R, Sauder, J.M, Poulter, C.D, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI), New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2011-02-16 | | Release date: | 2011-03-02 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3QU2
 | | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, a closed cap conformation | | Descriptor: | CHLORIDE ION, CITRIC ACID, GLYCEROL, ... | | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | | Deposit date: | 2011-02-23 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
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3QU7
 | | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp13asn mutant complexed with calcium and phosphate | | Descriptor: | ACETATE ION, CALCIUM ION, INORGANIC PYROPHOSPHATASE, ... | | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | | Deposit date: | 2011-02-23 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
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3QUT
 | | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp13asn mutant, an open cap conformation | | Descriptor: | CHLORIDE ION, D-MALATE, INORGANIC PYROPHOSPHATASE, ... | | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | | Deposit date: | 2011-02-24 | | Release date: | 2011-04-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
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3QYP
 | | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, glu47asn mutant complexed with calcium and phosphate | | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | | Deposit date: | 2011-03-03 | | Release date: | 2011-04-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
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