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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
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
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
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
3SZ2
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BU of 3sz2 by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with dG as templating nucleobase
Descriptor: (5'-D(*AP*AP*AP*GP*CP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DDG))-3'), DNA polymerase I, ...
Authors:Betz, K, Marx, A, Diederichs, K.
Deposit date:2011-07-18
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
3SIS
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BU of 3sis by Molmil
Crystal structure of Porcine CRW-8 Rotavirus VP8* in complex with aceramido-GM3_Gc
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, N-glycolyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, Outer capsid protein VP4, ...
Authors:Blanchard, H, Yu, X.
Deposit date:2011-06-20
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel structural insights into rotavirus recognition of ganglioside glycan receptors.
J.Mol.Biol., 413, 2011
3LM5
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BU of 3lm5 by Molmil
Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B
Authors:Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-01-29
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
3UW6
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BU of 3uw6 by Molmil
Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR120
Descriptor: Alanine racemase
Authors:Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-11-30
Release date:2012-02-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction.
Acs Chem.Biol., 8, 2013
3SV4
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BU of 3sv4 by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with dT as templating nucleobase
Descriptor: (5'-D(*AP*AP*AP*TP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), DNA polymerase I, ...
Authors:Betz, K, Diederichs, K, Marx, A.
Deposit date:2011-07-12
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
3SYZ
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BU of 3syz by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with dNaM as templating nucleobase
Descriptor: (5'-D(*AP*AP*AP*(BMN)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), DNA polymerase I, ...
Authors:Betz, K, Diederichs, K, Marx, A.
Deposit date:2011-07-18
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
3TB0
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BU of 3tb0 by Molmil
Crystal structure of Rhesus Rotavirus VP8* in complex with N-Glycolylneuraminic acid
Descriptor: GLYCEROL, Outer capsid protein VP4, PENTAETHYLENE GLYCOL, ...
Authors:Yu, X, Blanchard, H.
Deposit date:2011-08-04
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Rotavirus Strain Preference toward N-Acetyl- or N-Glycolylneuraminic Acid-Containing Receptors.
J.Virol., 86, 2012
3TAY
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BU of 3tay by Molmil
Crystal structure of porcine rotavirus CRW-8 VP8* in complex with N-glycolylneuraminic acid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZAMIDINE, ...
Authors:Yu, X, Blanchard, H.
Deposit date:2011-08-04
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis of Rotavirus Strain Preference toward N-Acetyl- or N-Glycolylneuraminic Acid-Containing Receptors.
J.Virol., 86, 2012
3SV3
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BU of 3sv3 by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a closed ternary complex with the artificial base pair dNaM-d5SICSTP
Descriptor: (5'-D(*AP*AP*AP*(BMN)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), 2-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-6-methylisoquinoline-1(2H)-thione, ...
Authors:Betz, K, Diederichs, K, Marx, A.
Deposit date:2011-07-12
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
3U26
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BU of 3u26 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR48
Descriptor: PF00702 domain protein
Authors:Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-30
Release date:2011-11-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction.
Acs Chem.Biol., 8, 2013
6I9J
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BU of 6i9j by Molmil
Human transforming growth factor beta2 in a tetragonal crystal form
Descriptor: Transforming growth factor beta-2 proprotein
Authors:Gomis-Ruth, F.X, Marino-Puertas, L, del Amo-Maestro, L, Goulas, T.
Deposit date:2018-11-23
Release date:2019-07-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recombinant production, purification, crystallization, and structure analysis of human transforming growth factor beta 2 in a new conformation.
Sci Rep, 9, 2019
1SF0
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BU of 1sf0 by Molmil
BACKBONE SOLUTION STRUCTURE OF MIXED ALPHA/BETA PROTEIN PF1061
Descriptor: hypothetical protein PF1061
Authors:Prestegard, J.H, Mayer, K.L, Valafar, H, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-02-19
Release date:2004-04-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Backbone solution structures of proteins using residual dipolar couplings: Application to a novel structural genomics target.
J.STRUCT.FUNCT.GENOM., 5, 2005
1RWS
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BU of 1rws by Molmil
Backbone Solution Structure of mixed alpha/beta protein PF1061
Descriptor: hypothetical protein PF1061
Authors:Prestegard, J.H, Mayer, K.L, Valafar, H.
Deposit date:2003-12-17
Release date:2003-12-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Backbone solution structures of proteins using residual dipolar couplings: application to a novel structural genomics target.
J.STRUCT.FUNCT.GENOM., 5, 2004
2P3I
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BU of 2p3i by Molmil
Crystal structure of Rhesus Rotavirus VP8* at 295K
Descriptor: 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, SULFATE ION, VP4
Authors:Blanchard, H.
Deposit date:2007-03-09
Release date:2008-03-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Effects on sialic acid recognition of amino acid mutations in the carbohydrate-binding cleft of the rotavirus spike protein
Glycobiology, 19, 2009
2P3K
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BU of 2p3k by Molmil
Crystal structure of Rhesus rotavirus VP8* at 100K
Descriptor: 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, GLYCEROL, SULFATE ION, ...
Authors:Blanchard, H.
Deposit date:2007-03-09
Release date:2008-03-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Effects on sialic acid recognition of amino acid mutations in the carbohydrate-binding cleft of the rotavirus spike protein
Glycobiology, 19, 2009
2P3J
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BU of 2p3j by Molmil
Crystal structure of the Arg101Ala mutant protein of Rhesus rotavirus VP8*
Descriptor: 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, SULFATE ION, VP4
Authors:Blanchard, H.
Deposit date:2007-03-09
Release date:2008-03-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effects on sialic acid recognition of amino acid mutations in the carbohydrate-binding cleft of the rotavirus spike protein
Glycobiology, 19, 2009
2QVT
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BU of 2qvt by Molmil
Structure of Melampsora lini avirulence protein, AvrL567-D
Descriptor: AvrL567-D
Authors:Guncar, G, Wang, C.I, Forwood, J.K, Teh, T, Catanzariti, A.M, Lawrence, G, Schirra, H.J, Anderson, P.A, Ellis, J.G, Dodds, P.N, Kobe, B.
Deposit date:2007-08-08
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structures of flax rust avirulence proteins AvrL567-A and -D reveal details of the structural basis for flax disease resistance specificity.
Plant Cell, 19, 2007
3ZRH
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BU of 3zrh by Molmil
Crystal structure of the Lys29, Lys33-linkage-specific TRABID OTU deubiquitinase domain reveals an Ankyrin-repeat ubiquitin binding domain (AnkUBD)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, UBIQUITIN THIOESTERASE ZRANB1
Authors:Licchesi, J.D.F, Akutsu, M, Komander, D.
Deposit date:2011-06-16
Release date:2011-12-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:An Ankyrin-Repeat Ubiquitin-Binding Domain Determines Trabid'S Specificity for Atypical Ubiquitin Chains.
Nat.Struct.Mol.Biol., 19, 2011
4XYJ
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BU of 4xyj by Molmil
Crystal structure of human phosphofructokinase-1 in complex with ATP and Mg, Northeast Structural Genomics Consortium Target HR9275
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent 6-phosphofructokinase, platelet type, ...
Authors:Forouhar, F, Webb, B.A, Szu, F.-E, Seetharaman, J, Barber, D.L, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-02-02
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of human phosphofructokinase-1 and atomic basis of cancer-associated mutations.
Nature, 523, 2015
3I1C
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BU of 3i1c by Molmil
Crystal Structure of a Novel Engineered Diels-Alderase: DA_20_00_A74I
Descriptor: Diisopropyl-fluorophosphatase, GLYCEROL
Authors:Lambert, A.R, Stoddard, B.L.
Deposit date:2009-06-26
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
Science, 329, 2010

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