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6PX0
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BU of 6px0 by Molmil
Crystal structure of the TPR domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1)
Descriptor: 1,2-ETHANEDIOL, Aryl-hydrocarbon-interacting protein-like 1, BETA-MERCAPTOETHANOL, ...
Authors:Yadav, R.P, Artemyev, N.O.
Deposit date:2019-07-24
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Interaction of the tetratricopeptide repeat domain of aryl hydrocarbon receptor-interacting protein-like 1 with the regulatory P gamma subunit of phosphodiesterase 6.
J.Biol.Chem., 294, 2019
4A4O
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BU of 4a4o by Molmil
CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 2-(2-AMINO- PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-PYRROLOPYRIDIN-4-ONE INHIBITOR
Descriptor: 1-METHYL-2-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ...
Authors:Bertrand, J.A, Bossi, R.T.
Deposit date:2011-10-18
Release date:2012-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:5-(2-Amino-Pyrimidin-4-Yl)-1H-Pyrrole and 2-(2-Amino-Pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-Pyrrolo[3,2-C]Pyridin-4-One Derivatives as New Classes of Selective and Orally Available Polo-Like Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
1C0G
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BU of 1c0g by Molmil
CRYSTAL STRUCTURE OF 1:1 COMPLEX BETWEEN GELSOLIN SEGMENT 1 AND A DICTYOSTELIUM/TETRAHYMENA CHIMERA ACTIN (MUTANT 228: Q228K/T229A/A230Y/E360H)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, PROTEIN (CHIMERIC ACTIN), ...
Authors:Matsuura, Y, Stewart, M, Kawamoto, M, Kamiya, N, Saeki, K, Yasunaga, T, Wakabayashi, T.
Deposit date:1999-07-16
Release date:2000-03-01
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the higher Ca(2+)-activation of the regulated actin-activated myosin ATPase observed with Dictyostelium/Tetrahymena actin chimeras.
J.Mol.Biol., 296, 2000
5C6I
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BU of 5c6i by Molmil
Crystal Structure of Gadolinium derivative of HEWL solved using Free-Electron Laser radiation
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
Authors:Galli, L, Barends, T.R.M, Son, S.-K, White, T.A, Barty, A, Botha, S, Boutet, S, Caleman, C, Doak, R.B, Nanao, M.H, Nass, K, Shoeman, R.L, Timneanu, N, Santra, R, Schlichting, I, Chapman, H.N.
Deposit date:2015-06-23
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Towards phasing using high X-ray intensity.
Iucrj, 2, 2015
4CCZ
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BU of 4ccz by Molmil
Crystal structure of human 5-methyltetrahydrofolate-homocysteine methyltransferase, the homocysteine and folate binding domains
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, METHIONINE SYNTHASE
Authors:Vollmar, M, Kiyani, W, Krojer, T, Goubin, S, Burgess-Brown, N, von Delft, F, Oppermann, U, Edwards, A, Arrowsmith, C, Bountra, C, Yue, W.W.
Deposit date:2013-10-29
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Human 5-Methyltetrahydrofolate-Homocysteine Methyltransferase, the Homocysteine and Folate Binding Domains
To be Published
4Q4C
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BU of 4q4c by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and synthetic 1,5-(PP)2-IP4 (1,5-IP8)
Descriptor: (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], ADENOSINE-5'-DIPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, ...
Authors:Wang, H, Shears, S.B.
Deposit date:2014-04-14
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis of Densely Phosphorylated Bis-1,5-Diphospho-myo-Inositol Tetrakisphosphate and its Enantiomer by Bidirectional P-Anhydride Formation.
Angew.Chem.Int.Ed.Engl., 53, 2014
5GMY
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BU of 5gmy by Molmil
Crystal structure of the Archaeoglobus fulgidus oligosaccharyltransferase (O29867_ARCFU) tethered with an acceptor peptide containing the NVT sequon via a disulfide bond
Descriptor: MAGNESIUM ION, Transmembrane oligosaccharyl transferase, putative, ...
Authors:Matsumoto, S, Kohda, D.
Deposit date:2016-07-18
Release date:2017-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Tethering an N-Glycosylation Sequon-Containing Peptide Creates a Catalytically Competent Oligosaccharyltransferase Complex
Biochemistry, 56, 2017
4N5R
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BU of 4n5r by Molmil
Hen egg-white lysozyme phased using free-electron laser data
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme C
Authors:Barends, T.R.M, Foucar, L, Botha, S, Doak, R.B, Shoeman, R.L, Nass, K, Koglin, J.E, Williams, G.J, Boutet, S, Messerschmidt, M, Schlichting, I.
Deposit date:2013-10-10
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo protein crystal structure determination from X-ray free-electron laser data.
Nature, 505, 2014
3NOD
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BU of 3nod by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND PRODUCT ANALOGUE L-THIOCITRULLINE
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, L-THIOCITRULLINE, NITRIC OXIDE SYNTHASE, ...
Authors:Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
Deposit date:1998-03-06
Release date:1999-03-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of nitric oxide synthase oxygenase dimer with pterin and substrate.
Science, 279, 1998
3RFF
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BU of 3rff by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium Tuberculosis (1.76 A resolution)
Descriptor: Phosphopantetheine adenylyltransferase
Authors:Timofeev, V.I, Smirnova, E.A, Chupova, L.A, Esipov, R.S, Kuranova, I.P.
Deposit date:2011-04-06
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Three-Dimensional Structure of Phosphopantetheine Adenylyltransferase from Mycobacterium Tuberculosis in the Apo Form and in Complexes with Coenzyme A and D
Crystallography Reports, 57, 2012
1CLM
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BU of 1clm by Molmil
STRUCTURE OF PARAMECIUM TETRAURELIA CALMODULIN AT 1.8 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, CALMODULIN
Authors:Sundaralingam, M.
Deposit date:1993-01-23
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Paramecium tetraurelia calmodulin at 1.8 A resolution.
Protein Sci., 2, 1993
4PQN
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BU of 4pqn by Molmil
ITK kinase domain with compound GNE-9822
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:McEwan, P.A, Barker, J.J, Eigenbrot, C.
Deposit date:2014-03-03
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.
J.Med.Chem., 57, 2014
4Q4D
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BU of 4q4d by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMP-PNP and synthetic 3,5-(PP)2-IP4 (3,5-IP8)
Descriptor: (1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ...
Authors:Wang, H, Shears, S.B.
Deposit date:2014-04-14
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthesis of Densely Phosphorylated Bis-1,5-Diphospho-myo-Inositol Tetrakisphosphate and its Enantiomer by Bidirectional P-Anhydride Formation.
Angew.Chem.Int.Ed.Engl., 53, 2014
4AR8
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BU of 4ar8 by Molmil
Crystal structure of the peptidase domain of collagenase T from Clostridium tetani complexed with the peptidic inhibitor isoamyl- phosphonyl-Gly-Pro-Ala at 2.05 angstrom resolution.
Descriptor: CALCIUM ION, COLLAGENASE COLT, ISOAMYL-PHOSPHONYL-GLY-PRO-ALA, ...
Authors:Eckhard, U, Brandstetter, H.
Deposit date:2012-04-21
Release date:2013-06-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Basis for Activity Regulation and Substrate Preference of Clostridial Collagenases G, H, and T.
J.Biol.Chem., 288, 2013
4AR9
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BU of 4ar9 by Molmil
Crystal structure of the peptidase domain of collagenase T from Clostridium tetani at 1.69 angstrom resolution.
Descriptor: CALCIUM ION, COLLAGENASE COLT, ZINC ION
Authors:Eckhard, U, Brandstetter, H.
Deposit date:2012-04-22
Release date:2013-06-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural Basis for Activity Regulation and Substrate Preference of Clostridial Collagenases G, H, and T.
J.Biol.Chem., 288, 2013
3R5A
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BU of 3r5a by Molmil
Pseudomonas aeruginosa DapD (PA3666) in complex with D-2-aminopimelate
Descriptor: (2R)-2-aminoheptanedioic acid, GLYCEROL, Tetrahydrodipicolinate N-succinyletransferase
Authors:Sandalova, T, Schnell, R, Schneider, G.
Deposit date:2011-03-18
Release date:2012-01-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Tetrahydrodipicolinate N-succinyltransferase and dihydrodipicolinate synthase from Pseudomonas aeruginosa: structure analysis and gene deletion.
Plos One, 7, 2012
3R5C
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BU of 3r5c by Molmil
Pseudomonas aeruginosa DapD (PA3666) in complex with CoA and succinate
Descriptor: COENZYME A, SUCCINIC ACID, Tetrahydrodipicolinate N-succinyletransferase
Authors:Sandalova, T, Schnell, R, Schneider, G.
Deposit date:2011-03-18
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tetrahydrodipicolinate N-succinyltransferase and dihydrodipicolinate synthase from Pseudomonas aeruginosa: structure analysis and gene deletion.
Plos One, 7, 2012
3R5B
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BU of 3r5b by Molmil
Pseudomonas aeruginosa DapD (PA3666) in complex with L-2-aminopimelate
Descriptor: (2S)-2-aminoheptanedioic acid, Tetrahydrodipicolinate N-succinyletransferase
Authors:Sandalova, T, Schnell, R, Schneider, G.
Deposit date:2011-03-18
Release date:2012-01-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Tetrahydrodipicolinate N-succinyltransferase and dihydrodipicolinate synthase from Pseudomonas aeruginosa: structure analysis and gene deletion.
Plos One, 7, 2012
4B9R
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BU of 4b9r by Molmil
Crystal structure of the Major Birch Pollen Allergen Bet v 1.0101 (isoform a) nitrated in vitro with tetranitromethan.
Descriptor: MAJOR POLLEN ALLERGEN BET V 1-A, SULFATE ION
Authors:Kofler, S, Ackaert, C, Brandstetter, H.
Deposit date:2012-09-06
Release date:2013-10-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The Impact of Nitration on the Structure and Immunogenicity of the Major Birch Pollen Allergen Bet V 1.0101.
Plos One, 9, 2014
3R5D
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BU of 3r5d by Molmil
Pseudomonas aeruginosa DapD (PA3666) apoprotein
Descriptor: GLYCEROL, Tetrahydrodipicolinate N-succinyletransferase
Authors:Sandalova, T, Schnell, R, Schneider, G.
Deposit date:2011-03-18
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tetrahydrodipicolinate N-succinyltransferase and dihydrodipicolinate synthase from Pseudomonas aeruginosa: structure analysis and gene deletion.
Plos One, 7, 2012
3P67
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BU of 3p67 by Molmil
T26S mutant of pentaerythritol tetranitrate reductase containing a bound acetate molecule
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2010-10-11
Release date:2010-11-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Focused Directed Evolution of Pentaerythritol Tetranitrate Reductase by Using Automated Anaerobic Kinetic Screening of Site-Saturated Libraries
Chembiochem, 11, 2010
3P74
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BU of 3p74 by Molmil
H181N mutant of pentaerythritol tetranitrate reductase containing a C-terminal His8-tag
Descriptor: FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2010-10-12
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
3P62
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BU of 3p62 by Molmil
Wild-type pentaerythritol tetranitrate reductase containing a C-terminal 8-histidine tag
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Hulley, M.E, Scrutton, N.S.
Deposit date:2010-10-11
Release date:2010-11-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Focused Directed Evolution of Pentaerythritol Tetranitrate Reductase by Using Automated Anaerobic Kinetic Screening of Site-Saturated Libraries
Chembiochem, 11, 2010
4ML4
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BU of 4ml4 by Molmil
Crystal structure of the complex of signaling glycoprotein from buffalo (SPB-40) with tetrahydropyran at 2.5 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1, TETRAHYDROPYRAN
Authors:Yamini, S, Chaudhary, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2013-09-06
Release date:2013-09-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the complex of signaling glycoprotein from buffalo (SPB-40) with tetrahydropyran at 2.5 A resolution
To be Published
4QKQ
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BU of 4qkq by Molmil
RadA from Methanococcus Voltae in complex with copper phthalocyanine tetrasulfonate inhibitor
Descriptor: Copper(II) tetrapyrrole, DNA repair and recombination protein RadA, NITRATE ION
Authors:Rao, D.E.C.S, Li, Y, He, Y, Luo, Y.
Deposit date:2014-06-09
Release date:2015-06-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of an archaeal Rad51 homolog in complex with a phthalocyanine tetrasulfonate inhibitor
To be Published

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