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3GU4
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BU of 3gu4 by Molmil
Crystal structure of DAPKQ23V-AMPPNP
Descriptor: Death-associated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:McNamara, L.K, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S.
Deposit date:2009-03-28
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Enzymatic activity and crystallgoraphic analyses of a glycine-rich loop mutant of DAPK
To be Published
3GU7
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BU of 3gu7 by Molmil
Crystal structure of DAPKQ23V-ADP-Mg2+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Death-associated protein kinase 1, MAGNESIUM ION
Authors:McNamara, L.K, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S.
Deposit date:2009-03-28
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enzyme activity and crystallographic analyses of a glycine-rich loop mutant of DAPK
To be Published
3GU6
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BU of 3gu6 by Molmil
Crystal structure of DAPKQ23V-ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Death-associated protein kinase 1
Authors:McNamara, L.K, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S.
Deposit date:2009-03-28
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Enzymatic activity and crystallographic analyses of a glycine-rich loop mutant of DAPK
To be Published
3UYV
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BU of 3uyv by Molmil
Crystal structure of a glycosylated ice-binding protein (LeIBP) from Arctic yeast
Descriptor: Antifreeze protein, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Lee, J.H, Park, A.K, Do, H, Park, K.S, Moh, S.H, Chi, Y.M, Kim, H.J.
Deposit date:2011-12-06
Release date:2012-02-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural basis for the antifreeze activity of an ice-binding protein from an Arctic yeast.
J.Biol.Chem., 2012
3HA8
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BU of 3ha8 by Molmil
THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b
Descriptor: Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide
Authors:Zhao, B, Clark, M.A.
Deposit date:2009-05-01
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5, 2009
3HEC
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BU of 3hec by Molmil
P38 in complex with Imatinib
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Namboodiri, H.V, Karpusas, M.
Deposit date:2009-05-08
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Analysis of imatinib and sorafenib binding to p38alpha compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases.
Biochemistry, 49, 2010
3HEG
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BU of 3heg by Molmil
P38 in complex with Sorafenib
Descriptor: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Mitogen-activated protein kinase 14
Authors:Namboodiri, H.V, Karpusas, M.
Deposit date:2009-05-08
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Analysis of imatinib and sorafenib binding to p38alpha compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases.
Biochemistry, 49, 2010
3TXE
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BU of 3txe by Molmil
HEWL co-crystallization with carboplatin in aqueous media with paratone as the cryoprotectant
Descriptor: 2-methylprop-1-ene, CHLORIDE ION, Lysozyme C, ...
Authors:Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J.
Deposit date:2011-09-23
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
3TXK
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BU of 3txk by Molmil
HEWL co-crystallization with cisplatin in DMSO media with paratone as the cryoprotectant at pH 6.5
Descriptor: CHLORIDE ION, Cisplatin, DIMETHYL SULFOXIDE, ...
Authors:Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J.
Deposit date:2011-09-23
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
8GAE
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BU of 8gae by Molmil
Hsp90 provides platform for CRaf dephosphorylation by PP5
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, ...
Authors:Jaime-Garza, M, Nowotny, C.A, Coutandin, D, Wang, F, Tabios, M, Agard, D.A.
Deposit date:2023-02-22
Release date:2023-04-26
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Hsp90 provides a platform for kinase dephosphorylation by PP5.
Nat Commun, 14, 2023
2HEQ
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BU of 2heq by Molmil
NMR Structure of Bacillus subtilis protein YorP, Northeast Structural Genomics Target SR399.
Descriptor: YorP protein
Authors:Ramelot, T.A, Cort, J.R, Wang, D, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.M, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-21
Release date:2006-08-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR Structure of Bacillus subtilis protein YorP, Northeast Structural Genomics Target SR399.
To be Published
2HJQ
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BU of 2hjq by Molmil
NMR Structure of Bacillus Subtilis Protein YqbF, Northeast Structural Genomics Target SR449
Descriptor: Hypothetical protein yqbF
Authors:Ding, K, Ramelot, T.A, Cort, J.R, Wang, D, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-30
Release date:2007-06-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR Structure of Bacillus Subtilis Protein YqbF, Northeast Structural Genomics Target SR449
TO BE PUBLISHED
6DHM
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BU of 6dhm by Molmil
Bovine glutamate dehydrogenase complexed with zinc
Descriptor: GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ...
Authors:Smith, T.J.
Deposit date:2018-05-20
Release date:2018-07-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:A novel mechanism of V-type zinc inhibition of glutamate dehydrogenase results from disruption of subunit interactions necessary for efficient catalysis.
FEBS J., 278, 2011
6DHN
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BU of 6dhn by Molmil
Bovine glutamate dehydrogenase complexed with Eu3+
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Smith, T.J.
Deposit date:2018-05-20
Release date:2018-07-25
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A novel mechanism of V-type zinc inhibition of glutamate dehydrogenase results from disruption of subunit interactions necessary for efficient catalysis.
FEBS J., 278, 2011
4HJF
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BU of 4hjf by Molmil
EAL domain of phosphodiesterase PdeA in complex with c-di-GMP and Ca++
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, GGDEF family protein
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Massa, C, Schirmer, T, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-10-12
Release date:2012-10-31
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of EAL domain from Caulobacter crescentus in complex with c-di-GMP and Ca
TO BE PUBLISHED
4HV4
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BU of 4hv4 by Molmil
2.25 Angstrom resolution crystal structure of UDP-N-acetylmuramate--L-alanine ligase (murC) from Yersinia pestis CO92 in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, UDP-N-acetylmuramate--L-alanine ligase
Authors:Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-11-05
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:2.25 Angstrom resolution crystal structure of UDP-N-acetylmuramate--L-alanine ligase (murC) from Yersinia pestis CO92 in complex with AMP
To be Published
4HS7
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BU of 4hs7 by Molmil
2.6 Angstrom Structure of the Extracellular Solute-binding Protein from Staphylococcus aureus in complex with PEG.
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Bacterial extracellular solute-binding protein, putative, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-10-29
Release date:2012-11-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2.6 Angstrom Structure of the Extracellular Solute-binding Protein from Staphylococcus aureus in complex with PEG.
TO BE PUBLISHED
4HTF
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BU of 4htf by Molmil
Crystal structure of S-adenosylmethionine-dependent methyltransferase from Escherichia coli in complex with S-adenosylmethionine.
Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, S-ADENOSYLMETHIONINE, ...
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-11-01
Release date:2012-11-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of S-adenosylmethionine-dependent methyltransferase from Escherichia coli in complex with S-adenosylmethionine.
To be Published
4IIW
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BU of 4iiw by Molmil
2.6 Angstrom Crystal Structure of Putative yceG-like Protein lmo1499 from Listeria monocytogenes
Descriptor: CHLORIDE ION, Lmo1499 protein, SULFATE ION, ...
Authors:Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-12-20
Release date:2013-01-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2.6 Angstrom Crystal Structure of Putative yceG-like Protein lmo1499 from Listeria monocytogenes
TO BE PUBLISHED
4IFA
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BU of 4ifa by Molmil
1.5 Angstrom resolution crystal structure of an extracellular protein containing a SCP domain from Bacillus anthracis str. Ames
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Shatsman, S, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-12-14
Release date:2012-12-26
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:1.5 Angstrom resolution crystal structure of an extracellular protein containing a SCP domain from Bacillus anthracis str. Ames
To be Published
4ICH
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BU of 4ich by Molmil
Crystal structure of a putative TetR family transcriptional regulator from Saccharomonospora viridis DSM 43017
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-12-10
Release date:2013-01-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of a putative TetR family transcriptional regulator from Saccharomonospora viridis DSM 43017
To be Published
4IR8
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BU of 4ir8 by Molmil
1.85 Angstrom Crystal Structure of Putative Sedoheptulose-1,7 bisphosphatase from Toxoplasma gondii
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Sedoheptulose-1,7 bisphosphatase, ...
Authors:Minasov, G, Ruan, J, Wawrzak, Z, Halavaty, A, Shuvalova, L, Harb, O.S, Ngo, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1.85 Angstrom Crystal Structure of Putative Sedoheptulose-1,7 bisphosphatase from Toxoplasma gondii.
TO BE PUBLISHED
4ISC
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BU of 4isc by Molmil
Crystal structure of a putative Methyltransferase from Pseudomonas syringae
Descriptor: BETA-MERCAPTOETHANOL, Methyltransferase
Authors:Filippova, E.V, Wawrzak, Z, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-01-16
Release date:2013-02-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Crystal structure of a putative Methyltransferase from Pseudomonas syringae
To be Published
4IUO
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BU of 4iuo by Molmil
1.8 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) K170M Mutant in Complex with Quinate
Descriptor: (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, 3-dehydroquinate dehydratase
Authors:Light, S.H, Minasov, G, Duban, M.-E, Shuvalova, L, Kwon, K, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-01-21
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of schiff base formation.
Biochemistry, 53, 2014
5UA3
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BU of 5ua3 by Molmil
Crystal Structure of a DNA G-Quadruplex with a Cytosine Bulge
Descriptor: DNA (5'-D(*GP*GP*GP*TP*TP*GP*CP*GP*GP*AP*GP*GP*GP*TP*GP*GP*GP*CP*CP*T)-3'), POTASSIUM ION
Authors:Meier, M, McDougall, M.D, Krahn, N.J, Moya-Torres, A, McRae, E.K.S, Booy, E.P, Patel, T.R, McKenna, S.A, Stetefeld, J.
Deposit date:2016-12-18
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8802 Å)
Cite:Structure and hydrodynamics of a DNA G-quadruplex with a cytosine bulge.
Nucleic Acids Res., 46, 2018

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