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4FSM
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BU of 4fsm by Molmil
Crystal Structure of the CHK1
Descriptor: 4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FYV
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BU of 4fyv by Molmil
Aspartate Transcarbamoylase Complexed with dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, ...
Authors:Cockrell, G.M, Kantrowitz, E.R.
Deposit date:2012-07-05
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.0976 Å)
Cite:Metal Ion Involvement in the Allosteric Mechanism of Escherichia coli Aspartate Transcarbamoylase.
Biochemistry, 51, 2012
4FZI
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BU of 4fzi by Molmil
Crystal structure of prostaglandin F synthase from Trypanosoma cruzi
Descriptor: GLUTAMIC ACID, Prostaglandin F synthase, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-07-06
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4FSV
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BU of 4fsv by Molmil
Crystal structure of a heat shock 70kDa protein 2 (HSPA2) from Homo sapiens at 1.80 A resolution
Descriptor: Heat shock-related 70 kDa protein 2
Authors:Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
Deposit date:2012-06-27
Release date:2012-07-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a heat shock 70kDa protein 2 (HSPA2) from Homo sapiens at 1.80 A resolution
To be published
4FT9
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BU of 4ft9 by Molmil
Crystal Structure of the CHK1
Descriptor: 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea, SULFATE ION, Serine/threonine-protein kinase Chk1
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FTK
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BU of 4ftk by Molmil
Crystal Structure of the CHK1
Descriptor: 3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FTV
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BU of 4ftv by Molmil
The complex between the high affinity version of A6 TCR (A6c134) and human Class I MHC HLA-A2 with the bound TAX nonameric peptide
Descriptor: A6 alpha chain, A6 beta chain, Beta-2-microglobulin, ...
Authors:Borbulevych, O.Y, Baker, B.M.
Deposit date:2012-06-28
Release date:2013-07-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structure of a high affinity TCR reveals native binding to MHC with enhanced peptide specificity
To be Published
4FUU
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BU of 4fuu by Molmil
Crystal structure of a leucine aminopeptidase precursor (BT_2548) from Bacteroides thetaiotaomicron VPI-5482 at 1.30 A resolution
Descriptor: 1,2-ETHANEDIOL, Leucine aminopeptidase, PHOSPHATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-06-28
Release date:2012-10-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of a leucine aminopeptidase precursor (BT_2548) from Bacteroides thetaiotaomicron VPI-5482 at 1.30 A resolution
To be published
4G0S
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BU of 4g0s by Molmil
Crystal Structure of Epiphyas postvittana Takeout 1 expressed in Sf9 cells
Descriptor: MYRISTIC ACID, Takeout-like protein 1
Authors:Hamiaux, C, Baker, E.N, Newcomb, R.D.
Deposit date:2012-07-10
Release date:2013-05-01
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.191 Å)
Cite:Ligand promiscuity within the internal cavity of Epiphyas postvittana Takeout 1 protein.
J.Struct.Biol., 182, 2013
4FV8
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BU of 4fv8 by Molmil
Crystal Structure of the ERK2 complexed with E63
Descriptor: 1,2-ETHANEDIOL, 6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one, Mitogen-activated protein kinase 1, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-29
Release date:2012-08-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the ERK2 complexed with E63
TO BE PUBLISHED
4FVR
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BU of 4fvr by Molmil
Crystal structure of the Jak2 pseudokinase domain mutant V617F (Mg-ATP-bound form)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Tyrosine-protein kinase JAK2
Authors:Bandaranayake, R.M, Hubbard, S.R.
Deposit date:2012-06-29
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the JAK2 pseudokinase domain and the pathogenic mutant V617F.
Nat.Struct.Mol.Biol., 19, 2012
4G2T
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BU of 4g2t by Molmil
Crystal Structure of Streptomyces sp. SF2575 glycosyltransferase SsfS6, complexed with thymidine diphosphate
Descriptor: SsfS6, THYMIDINE-5'-DIPHOSPHATE
Authors:Wang, F, Zhou, M, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2012-07-12
Release date:2012-07-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.405 Å)
Cite:Crystal structure of SsfS6, the putative C-glycosyltransferase involved in SF2575 biosynthesis.
Proteins, 81, 2013
4G8E
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BU of 4g8e by Molmil
Crystal Structure of clone18 TCR
Descriptor: alpha chain clone 18 TCR, beta chain clone 18 TCR
Authors:Gras, S, Bhati, M, Rossjohn, J.
Deposit date:2012-07-23
Release date:2013-05-08
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A conserved human T cell population targets mycobacterial antigens presented by CD1b.
Nat.Immunol., 14, 2013
4G96
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BU of 4g96 by Molmil
Crystal structure of calcium2+-free wild-type CD23 lectin domain
Descriptor: 1,2-ETHANEDIOL, Low affinity immunoglobulin epsilon Fc receptor, SULFATE ION
Authors:Yuan, D, Sutton, B.J, Dhaliwal, B.
Deposit date:2012-07-23
Release date:2013-06-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E.
J.Biol.Chem., 288, 2013
4G2S
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BU of 4g2s by Molmil
Crystal structure of a Salmonella type III secretion system protein
Descriptor: CALCIUM ION, Protein prgH
Authors:Worrall, L.J, Vuckovic, M, Strynadka, N.C.J.
Deposit date:2012-07-12
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.858 Å)
Cite:A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Plos Pathog., 9, 2013
4GAB
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BU of 4gab by Molmil
Human AKR1B10 mutant V301L complexed with NADP+ and fidarestat
Descriptor: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldo-keto reductase family 1 member B10, CHLORIDE ION, ...
Authors:Cousido-Siah, A, Ruiz Figueras, F.X, Mitschler, A, Podjarny, A.
Deposit date:2012-07-25
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5971 Å)
Cite:X-ray structure of the V301L aldo-keto reductase 1B10 complexed with NADP(+) and the potent aldose reductase inhibitor fidarestat: Implications for inhibitor binding and selectivity.
Chem.Biol.Interact, 202, 2013
4GAK
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BU of 4gak by Molmil
Crystal structure of acyl-ACP thioesterase from Spirosoma linguale
Descriptor: Acyl-ACP thioesterase, CHLORIDE ION, GLYCEROL
Authors:Chang, C, Wu, R, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-07-25
Release date:2012-09-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of acyl-ACP thioesterase from Spirosoma linguale
To be Published
4GBM
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BU of 4gbm by Molmil
Sulfotransferase Domain from the Curacin Biosynthetic Pathway
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, CHLORIDE ION, CurM Sulfotransferase, ...
Authors:McCarthy, J.G, Smith, J.L.
Deposit date:2012-07-27
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural basis of functional group activation by sulfotransferases in complex metabolic pathways.
Acs Chem.Biol., 7, 2012
4G6R
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BU of 4g6r by Molmil
Minimal Hairpin Ribozyme in the Transition State with G8I Variation
Descriptor: Loop A Ribozyme strand, Loop A Substrate strand, Loop B Ribozyme Strand, ...
Authors:Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E.
Deposit date:2012-07-19
Release date:2012-08-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.832 Å)
Cite:A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
4G85
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BU of 4g85 by Molmil
Crystal structure of human HisRS
Descriptor: Histidine-tRNA ligase, cytoplasmic
Authors:Wei, Z, Wu, J, Zhou, J.J, Yang, X.-L, Zhang, M, Schimmel, P.
Deposit date:2012-07-21
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Internally Deleted Human tRNA Synthetase Suggests Evolutionary Pressure for Repurposing.
Structure, 20, 2012
4G9F
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BU of 4g9f by Molmil
Crystal Structure of C12C TCR-HLAB2705-KK10-L6M
Descriptor: Beta-2-microglobulin, Gag protein, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Wilmann, P.G, Rossjohn, J.
Deposit date:2012-07-23
Release date:2013-03-20
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Molecular Basis for the Control of Preimmune Escape Variants by HIV-Specific CD8(+) T Cells.
Immunity, 38, 2013
4GG5
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BU of 4gg5 by Molmil
Crystal structure of CMET in complex with novel inhibitor
Descriptor: 3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine, Hepatocyte growth factor receptor
Authors:Liu, Q.F, Chen, T.T, Xu, Y.C.
Deposit date:2012-08-05
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.423 Å)
Cite:Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4GA1
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BU of 4ga1 by Molmil
Structure of the N-terminal domain of Nup358
Descriptor: E3 SUMO-PROTEIN LIGASE RANBP2
Authors:Hoelz, A, Kassube, S.A, Lin, D.H, Stuwe, T.
Deposit date:2012-07-24
Release date:2012-09-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structure of the N-terminal domain of Nup358/RanBP2.
J.Mol.Biol., 423, 2012
4GB9
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BU of 4gb9 by Molmil
Potent and Highly Selective Benzimidazole Inhibitors of PI3K-delta
Descriptor: 2-[1-({2-[2-(dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9H-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M.
Deposit date:2012-07-26
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.438 Å)
Cite:Potent and highly selective benzimidazole inhibitors of PI3-kinase delta.
J.Med.Chem., 55, 2012
4FVD
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BU of 4fvd by Molmil
Crystal structure of EV71 2A proteinase C110A mutant in complex with substrate
Descriptor: 10-mer peptide from 2A proteinase, 2A proteinase, ZINC ION
Authors:Cai, Q, Muhammad, Y, Liu, W, Gao, Z, Peng, X, Cai, Y, Wu, C, Zheng, Q, Li, J, Lin, T.
Deposit date:2012-06-29
Release date:2013-06-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Conformational Plasticity of 2A Proteinase from Enterovirus 71
J.Virol., 87, 2013

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