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1B0T
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BU of 1b0t by Molmil
D15K/K84D MUTANT OF AZOTOBACTER VINELANDII FDI
Descriptor: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (FERREDOXIN I)
Authors:Sridhar, V, Stout, C.D, Chen, K, Kemper, M.A, Burgess, B.K.
Deposit date:1998-11-12
Release date:1998-11-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the D15K/K84D Mutant of Azotobacter Vinelandii Ferredoxin I
To be Published
1B0V
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BU of 1b0v by Molmil
I40N MUTANT OF AZOTOBACTER VINELANDII FDI
Descriptor: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (FERREDOXIN)
Authors:Sridhar, V, Prasad, G.S, Stout, C.D, Chen, K, Burgess, B.K.
Deposit date:1998-11-12
Release date:2000-01-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Alteration of the reduction potential of the [4Fe-4S](2+/+) cluster of Azotobacter vinelandii ferredoxin I.
J.Biol.Chem., 274, 1999
4LLP
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BU of 4llp by Molmil
Crystal structure of PDE10A2 with fragment ZT401
Descriptor: 4-amino-2-methylphenol, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM4
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BU of 4lm4 by Molmil
Crystal structure of PDE10A2 with fragment ZT902
Descriptor: NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, quinazolin-4(1H)-one
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-10
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LKQ
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BU of 4lkq by Molmil
Crystal structure of PDE10A2 with fragment ZT017
Descriptor: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-08
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM1
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BU of 4lm1 by Molmil
Crystal structure of PDE10A2 with fragment ZT450
Descriptor: 5-nitroquinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM3
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BU of 4lm3 by Molmil
Crystal structure of PDE10A2 with fragment ZT464
Descriptor: 1,2-ETHANEDIOL, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone, NICKEL (II) ION, ...
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LLX
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BU of 4llx by Molmil
Crystal structure of PDE10A2 with fragment ZT434
Descriptor: 4,6-dimethylpyrimidin-2-amine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM2
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BU of 4lm2 by Molmil
Crystal structure of PDE10A2 with fragment ZT462
Descriptor: 2,3-dihydro-1,4-benzodioxin-6-ylmethanol, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LLJ
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BU of 4llj by Molmil
Crystal structure of PDE10A2 with fragment ZT214
Descriptor: 2H-isoindole-1,3-diamine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM0
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BU of 4lm0 by Molmil
Crystal structure of PDE10A2 with fragment ZT448
Descriptor: 5-NITROINDAZOLE, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LLK
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BU of 4llk by Molmil
Crystal structure of PDE10A2 with fragment ZT217
Descriptor: 2-methylquinazolin-4(3H)-one, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4MSH
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BU of 4msh by Molmil
Crystal Structure of PDE10A2 with fragment ZT0143 ((2S)-4-chloro-2,3-dihydro-1,3-benzothiazol-2-amine)
Descriptor: 4-chloro-1,3-benzothiazol-2-amine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-09-18
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MRW
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BU of 4mrw by Molmil
Crystal structure of PDE10A2 with fragment ZT0120 (7-chloroquinolin-4-ol)
Descriptor: 7-chloroquinolin-4-ol, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, NIenaber, V.
Deposit date:2013-09-17
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MSE
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BU of 4mse by Molmil
Crystal structure of PDE10A2 with fragment ZT1597 (2-({[(2S)-2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl]oxy}methyl)quinoline)
Descriptor: 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-09-18
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MRZ
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BU of 4mrz by Molmil
Crystal structure of PDE10A2 with fragment ZT0429 (4-methyl-3-nitropyridin-2-amine)
Descriptor: 4-methyl-3-nitropyridin-2-amine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-09-17
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MSC
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BU of 4msc by Molmil
Crystal structure of PDE10A2 with fragment ZT1595 (2-[(quinolin-7-yloxy)methyl]quinoline)
Descriptor: 2-[(quinolin-7-yloxy)methyl]quinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-09-18
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MS0
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BU of 4ms0 by Molmil
Crystal structure of PDE10A2 with fragment ZT0443 (6-chloropyrimidine-2,4-diamine)
Descriptor: 6-chloropyrimidine-2,4-diamine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-09-18
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MSN
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BU of 4msn by Molmil
Crystal structure of PDE10A2 with fragment ZT0451 (8-nitroquinoline)
Descriptor: 8-nitroquinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-09-18
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4POL
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BU of 4pol by Molmil
Crystal structures of thioredoxin with mesna at 2.8A resolution
Descriptor: 1-THIOETHANESULFONIC ACID, Thioredoxin
Authors:Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H.
Deposit date:2014-02-26
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity
J Pharmacol Clin Toxicol, 2, 2014
4POK
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BU of 4pok by Molmil
Crystal structures of thioredoxin with mesna at 2.5A resolution
Descriptor: 1-THIOETHANESULFONIC ACID, Thioredoxin
Authors:Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H.
Deposit date:2014-02-25
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity
J Pharmacol Clin Toxicol, 2, 2014
4POM
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BU of 4pom by Molmil
Crystal structures of thioredoxin with mesna at 1.85A resolution
Descriptor: 1-THIOETHANESULFONIC ACID, Thioredoxin
Authors:Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H.
Deposit date:2014-02-26
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity
J Pharmacol Clin Toxicol, 2, 2014
3TVX
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BU of 3tvx by Molmil
The structure of PDE4A with pentoxifylline at 2.84A resolution
Descriptor: 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, MAGNESIUM ION, SULFATE ION, ...
Authors:Badger, J, Sridhar, V.
Deposit date:2011-09-20
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Fragment-Based Screening for Inhibitors of PDE4A Using Enthalpy Arrays and X-ray Crystallography.
J Biomol Screen, 17, 2012
1Z68
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BU of 1z68 by Molmil
Crystal Structure Of Human Fibroblast Activation Protein alpha
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Aertgeerts, K, Levin, I, Shi, L, Prasad, G.S, Zhang, Y, Kraus, M.L, Salakian, S, Snell, G.P, Sridhar, V, Wijnands, R, Tennant, M.G.
Deposit date:2005-03-21
Release date:2005-04-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and kinetic analysis of the substrate specificity of human fibroblast activation protein alpha.
J.Biol.Chem., 280, 2005
4E6U
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BU of 4e6u by Molmil
Structure of LpxA from Acinetobacter baumannii at 1.4A resolution (P63 form)
Descriptor: 1,2-ETHANEDIOL, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, SULFATE ION
Authors:Badger, J, Chie-Leon, B, Logan, C, Sridhar, V, Sankaran, B, Zwart, P.H, Nienaber, V.
Deposit date:2012-03-16
Release date:2012-12-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structure determination of LpxA from the lipopolysaccharide-synthesis pathway of Acinetobacter baumannii.
Acta Crystallogr.,Sect.F, 68, 2012

 

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