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3CMF
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BU of 3cmf by Molmil
Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and CORTISONE. Resolution 1.90 A.
Descriptor: 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W.
Deposit date:2008-03-21
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
3CNQ
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BU of 3cnq by Molmil
Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM
Descriptor: Subtilisin BPN', ZINC ION
Authors:Gallagher, D.T, Bryan, P.N.
Deposit date:2008-03-26
Release date:2008-05-06
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Engineering substrate preference in subtilisin: structural and kinetic analysis of a specificity mutant.
Biochemistry, 47, 2008
3JXH
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BU of 3jxh by Molmil
CA-like domain of human PTPRG
Descriptor: Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION
Authors:Bouyain, S.
Deposit date:2009-09-19
Release date:2009-12-22
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:The protein tyrosine phosphatases PTPRZ and PTPRG bind to distinct members of the contactin family of neural recognition molecules.
Proc.Natl.Acad.Sci.USA, 107, 2010
3K0W
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BU of 3k0w by Molmil
Crystal structure of the tandem IG-like C2-type 2 domains of the human mucosa-associated lymphoid tissue lymphoma translocation protein 1
Descriptor: CHLORIDE ION, Mucosa-associated lymphoid tissue lymphoma translocation protein 1, isoform 2
Authors:Walker, J.R, Qiu, L, Butler-Cole, C, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2009-09-25
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Tandem Ig-Like C2-Type 2 Domains of the Human Mucosa-Associated Lymphoid Tissue Lymphoma Translocation Protein 1.
To be Published
3DJA
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BU of 3dja by Molmil
Crystal Structure of cpaf solved with MAD
Descriptor: Protein CT_858
Authors:Chai, J, Huang, Z.
Deposit date:2008-06-22
Release date:2009-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for activation and inhibition of the secreted chlamydia protease CPAF
Cell Host Microbe, 4, 2008
3E1Z
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BU of 3e1z by Molmil
Crystal structure of the parasite protesase inhibitor chagasin in complex with papain
Descriptor: ACETIC ACID, Chagasin, FORMIC ACID, ...
Authors:Redzynia, I, Bujacz, G, Bujacz, A, Ljunggren, A, Abrahamson, M, Jaskolski, M.
Deposit date:2008-08-05
Release date:2009-01-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of the parasite inhibitor chagasin in complex with papain allows identification of structural requirements for broad reactivity and specificity determinants for target proteases.
Febs J., 276, 2009
2W4R
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BU of 2w4r by Molmil
Crystal structure of the regulatory domain of human LGP2
Descriptor: MERCURY (II) ION, PROBABLE ATP-DEPENDENT RNA HELICASE DHX58, SULFATE ION
Authors:Pippig, D.A, Hellmuth, J.C, Cui, S, Kirchhofer, A, Lammens, K, Lammens, A, Schmidt, A, Rothenfusser, S, Hopfner, K.P.
Deposit date:2008-12-01
Release date:2009-02-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Regulatory Domain of the Rig-I Family ATPase Lgp2 Senses Double-Stranded RNA.
Nucleic Acids Res., 37, 2009
3DZ2
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Human AdoMetDC with 5'-[(3-aminopropyl)methylamino]-5'deoxy-8-methyladenosine
Descriptor: 1,4-DIAMINOBUTANE, 5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine, S-adenosylmethionine decarboxylase alpha chain, ...
Authors:Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E.
Deposit date:2008-07-29
Release date:2009-03-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine
J.Med.Chem., 52, 2009
3JXW
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BU of 3jxw by Molmil
Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
Descriptor: 8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Stoll, V.S.
Deposit date:2009-09-21
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
TO BE PUBLISHED
2VOK
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BU of 2vok by Molmil
Murine TRIM21
Descriptor: 52 KDA RO PROTEIN
Authors:Keeble, A.H, Khan, Z, Forster, A, James, L.C.
Deposit date:2008-02-19
Release date:2008-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Trim21 is an Igg Receptor that is Structurally, Thermodynamically, and Kinetically Conserved.
Proc.Natl.Acad.Sci.USA, 105, 2008
3DHQ
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BU of 3dhq by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS A90R at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Harms, M.J, Schlessman, J.L, Garcia-Moreno, E.B.
Deposit date:2008-06-18
Release date:2009-01-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Arginine residues at internal positions in a protein are always charged.
Proc.Natl.Acad.Sci.USA, 108, 2011
2W96
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BU of 2w96 by Molmil
Crystal Structure of CDK4 in complex with a D-type cyclin
Descriptor: CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1, GLYCEROL
Authors:Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H.
Deposit date:2009-01-21
Release date:2009-03-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
3K40
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BU of 3k40 by Molmil
Crystal structure of Drosophila 3,4-dihydroxyphenylalanine decarboxylase
Descriptor: Aromatic-L-amino-acid decarboxylase, GLYCEROL
Authors:Han, Q, Ding, H, Robinson, H, Christensen, B.M, Li, J.
Deposit date:2009-10-05
Release date:2010-02-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure and substrate specificity of Drosophila 3,4-dihydroxyphenylalanine decarboxylase
Plos One, 5, 2010
3DIE
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BU of 3die by Molmil
Domain swapping of Staphylococcus Aureus thioredoxin W28A mutant
Descriptor: CADMIUM ION, FE (III) ION, Thioredoxin
Authors:Martinez-Rodriguez, S, Loris, R, Messens, J.
Deposit date:2008-06-20
Release date:2009-03-24
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Coupling of domain swapping to kinetic stability in a thioredoxin mutant
J.Mol.Biol., 385, 2009
3K5E
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BU of 3k5e by Molmil
The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and enastrol.
Descriptor: (4S,5R)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
Authors:Crawley, L, Cheng, R.K.Y, Wood, M, Barker, J, Felicetti, B, Whittaker, M.
Deposit date:2009-10-07
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and enastrol.
To be Published
2W2V
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BU of 2w2v by Molmil
Rac2 (G12V) in complex with GTPgS
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, RAS-RELATED C3 BOTULINUM TOXIN SUBSTRATE 2
Authors:Opaleye, O, Bunney, T.D, Roe, S.M, Pearl, L.H.
Deposit date:2008-11-04
Release date:2009-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights Into Formation of an Active Signaling Complex between Rac and Phospholipase C Gamma 2.
Mol.Cell, 34, 2009
2VT8
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BU of 2vt8 by Molmil
Structure of a conserved dimerisation domain within Fbox7 and PI31
Descriptor: PROTEASOME INHIBITOR PI31 SUBUNIT
Authors:Kirk, R.J, Murray-Rust, J, Knowles, P.P, Laman, H, McDonald, N.Q.
Deposit date:2008-05-12
Release date:2008-05-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of a Conserved Dimerization Domain within the F-Box Protein Fbxo7 and the Pi31 Proteasome Inhibitor.
J.Biol.Chem., 283, 2008
2W73
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BU of 2w73 by Molmil
High-resolution structure of the complex between calmodulin and a peptide from calcineurin A
Descriptor: CALCIUM ION, CALMODULIN, SERINE/THREONINE-PROTEIN PHOSPHATASE 2B CATALYTIC SUBUNIT ALPHA ISOFORM
Authors:Majava, V, Kursula, P.
Deposit date:2008-12-19
Release date:2009-05-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Domain Swapping and Different Oligomeric States for the Complex between Calmodulin and the Calmodulin-Binding Domain of Calcineurin A
Plos One, 4, 2009
2W1D
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BU of 2w1d by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
Descriptor: 2-(1H-pyrazol-3-yl)-1H-benzimidazole, SERINE/THREONINE-PROTEIN KINASE 6
Authors:Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
Deposit date:2008-10-17
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2W8R
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BU of 2w8r by Molmil
The crystal structure of human SSADH in complex with NAD+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, SUCCINATE-SEMIALDEHYDE DEHYDROGENASE, ...
Authors:Kim, Y.-G, Kim, K.-J.
Deposit date:2009-01-19
Release date:2009-06-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Redox-Switch Modulation of Human Ssadh by Dynamic Catalytic Loop.
Embo J., 28, 2009
3JRW
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BU of 3jrw by Molmil
Phosphorylated BC domain of ACC2
Descriptor: Acetyl-CoA carboxylase 2
Authors:Cho, Y.S, Lee, J.I, Shin, D, Kim, H.T, Lee, T.G, Heo, Y.S.
Deposit date:2009-09-09
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanism for the regulation of human ACC2 through phosphorylation by AMPK
Biochem.Biophys.Res.Commun., 391, 2010
2W1H
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BU of 2w1h by Molmil
Fragment-Based Discovery of the Pyrazol-4-yl urea (AT9283), a Multi- targeted Kinase Inhibitor with Potent Aurora Kinase Activity
Descriptor: CELL DIVISION PROTEIN KINASE 2, N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE
Authors:Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
Deposit date:2008-10-17
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2W8O
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BU of 2w8o by Molmil
The crystal structure of the reduced form of human SSADH
Descriptor: GLYCEROL, SUCCINIC SEMIALDEHYDE DEHYDROGENASE MITOCHONDRIAL, SULFATE ION
Authors:Kim, Y.-G, Kim, K.-J.
Deposit date:2009-01-19
Release date:2009-06-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Redox-Switch Modulation of Human Ssadh by Dynamic Catalytic Loop.
Embo J., 28, 2009
2WEJ
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BU of 2wej by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
Descriptor: CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION, ...
Authors:Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
Deposit date:2009-03-31
Release date:2009-11-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
2VXP
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BU of 2vxp by Molmil
The fourth FAS1 domain structure of human Bigh3
Descriptor: TRANSFORMING GROWTH FACTOR-BETA-INDUCED PROTEIN IG-H3
Authors:Yoo, J.-H, Cho, H.-S.
Deposit date:2008-07-08
Release date:2009-07-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Structural Analysis of the Fas1 Domain 4 of Big-H3 for Relationship with Corneal Dystrophy
To be Published

223790

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