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6GA3
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BU of 6ga3 by Molmil
Bacteriorhodopsin, 33 ms state, ensemble refinement
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
6GAC
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BU of 6gac by Molmil
BACTERIORHODOPSIN, 490 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
6GA5
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BU of 6ga5 by Molmil
Bacteriorhodopsin, 3 ps state, REAL-SPACE REFINEMED AGAINST 10% EXTRAPOLATED MAP
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
6GAF
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BU of 6gaf by Molmil
BACTERIORHODOPSIN, 590 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
1GCT
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BU of 1gct by Molmil
IS GAMMA-CHYMOTRYPSIN A TETRAPEPTIDE ACYL-ENZYME ADDUCT OF GAMMA-CHYMOTRYPSIN?
Descriptor: GAMMA-CHYMOTRYPSIN A, SULFATE ION, TETRAPEPTIDE ADDUCT
Authors:Dixon, M.M, Matthews, B.W.
Deposit date:1990-09-04
Release date:1991-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Is gamma-chymotrypsin a tetrapeptide acyl-enzyme adduct of alpha-chymotrypsin?
Biochemistry, 28, 1989
1H51
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BU of 1h51 by Molmil
Oxidised Pentaerythritol Tetranitrate Reductase (SCN complex)
Descriptor: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, THIOCYANATE ION
Authors:Barna, T, Moody, P.C.E.
Deposit date:2001-05-17
Release date:2003-10-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Pentaerythritol Tetranitrate Reductase: "Flipped" Binding Geometries for Steroid Substrates in Different Redox States of the Enzyme
J.Mol.Biol., 310, 2001
1H50
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BU of 1h50 by Molmil
Structure of Pentaerythritol Tetranitrate Reductase and complexes
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE
Authors:Barna, T, Moody, P.C.E.
Deposit date:2001-05-17
Release date:2001-07-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Pentaerythritol Tetranitrate Reductase: "Flipped" Binding Geometries for Steroid Substrates in Different Redox States of the Enzyme
J.Mol.Biol., 310, 2001
5JR5
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BU of 5jr5 by Molmil
RHCC in Complex with Elemental Sulfur
Descriptor: SULFATE ION, Tetrabrachion, octathiocane
Authors:McDougall, M, Meier, M, Stetefeld, J.
Deposit date:2016-05-05
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Archaea S-layer nanotube from a "black smoker" in complex with cyclo-octasulfur (S8 ) rings.
Proteins, 85, 2017
3BNI
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BU of 3bni by Molmil
Crystal structure of TetR-family transcriptional regulator from Streptomyces coelicolor
Descriptor: Putative TetR-family transcriptional regulator, TETRAETHYLENE GLYCOL
Authors:Osipiuk, J, Xu, X, Gu, J, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-12-14
Release date:2007-12-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray crystal structure of TetR-family transcriptional regulator from Streptomyces coelicolor.
To be Published
3L03
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BU of 3l03 by Molmil
Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estetrol (Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol)
Descriptor: (14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol, CHLORIDE ION, Estrogen receptor, ...
Authors:Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L.
Deposit date:2009-12-09
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol
To be Published
6CRD
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BU of 6crd by Molmil
INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) with tetrabrachion (TB) domain stalk
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Tetrabrachion,Neuraminidase, ...
Authors:Streltsov, V.A, Schmidt, P, McKimm-Breschkin, J.
Deposit date:2018-03-16
Release date:2019-01-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structure of an Influenza A virus N9 neuraminidase with a tetrabrachion-domain stalk.
Acta Crystallogr.,Sect.F, 75, 2019
4W5I
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BU of 4w5i by Molmil
Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one
Descriptor: 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2014-08-18
Release date:2015-06-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases.
Bioorg.Med.Chem., 23, 2015
4JKI
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BU of 4jki by Molmil
Crystal Structure of N10-Formyltetrahydrofolate Synthetase with ZD9331, Formylphosphate, and ADP
Descriptor: 2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one, ADENOSINE-5'-DIPHOSPHATE, Formate--tetrahydrofolate ligase, ...
Authors:Celeste, L.R, Lovelace, L.L, Lebioda, L.
Deposit date:2013-03-09
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors.
Protein Sci., 21, 2012
4JIM
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BU of 4jim by Molmil
Native Crystal Structure of N10-Formyltetrahydrofolate Synthetase
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Formate--tetrahydrofolate ligase, SULFATE ION
Authors:Celeste, L.R, Lovelace, L.L, Lebioda, L.
Deposit date:2013-03-06
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors.
Protein Sci., 21, 2012
4JJK
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BU of 4jjk by Molmil
Crystal Structure of N10-Formyltetrahydrofolate Synthetase with Folate
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, FOLIC ACID, ...
Authors:Celeste, L.R, Lovelace, L.L, Lebioda, L.
Deposit date:2013-03-08
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors.
Protein Sci., 21, 2012
4JJZ
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BU of 4jjz by Molmil
Crystal Structure of N10-Formyltetrahydrofolate Synthetase with ADP and Formylphosphate
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ADENOSINE-5'-DIPHOSPHATE, Formate--tetrahydrofolate ligase, ...
Authors:Celeste, L.R, Lovelace, L.L, Lebioda, L.
Deposit date:2013-03-08
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors.
Protein Sci., 21, 2012
4WTY
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BU of 4wty by Molmil
Structure of the PTP-like myo-inositol phosphatase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
Descriptor: CHLORIDE ION, GLYCEROL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, ...
Authors:Bruder, L.M, Mosimann, S.C.
Deposit date:2014-10-30
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
To Be Published
4WU3
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BU of 4wu3 by Molmil
Structure of the PTP-like myo-inositol phosphatase from Mitsuokella multacida in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
Descriptor: GLYCEROL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, MYO-INOSITOL PHOSPHOHYDROLASE, ...
Authors:Bruder, L.M, Mosimann, S.C.
Deposit date:2014-10-30
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
To Be Published
4X6N
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BU of 4x6n by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea
Descriptor: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea, Coagulation factor XI, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6O
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BU of 4x6o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, light chain, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X48
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BU of 4x48 by Molmil
Crystal structure of GluR2 ligand-binding core
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, N-{(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide, ...
Authors:Pandit, J.
Deposit date:2014-12-02
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The Discovery and Characterization of the alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptor Potentiator N-{(3S,4S)-4-[4-(5-Cyano-2-thienyl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide (PF-04958242).
J.Med.Chem., 58, 2015
6V4L
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BU of 6v4l by Molmil
Structure of TrkH-TrkA in complex with ATPgammaS
Descriptor: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Potassium uptake protein TrkA, Trk system potassium uptake protein TrkH
Authors:Zhou, M, Zhang, H.
Deposit date:2019-11-27
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:TrkA undergoes a tetramer-to-dimer conversion to open TrkH which enables changes in membrane potential.
Nat Commun, 11, 2020
6V4J
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BU of 6v4j by Molmil
Structure of TrkH-TrkA in complex with ATP
Descriptor: Potassium uptake protein TrkA, Trk system potassium uptake protein TrkH
Authors:Zhou, M, Zhang, H.
Deposit date:2019-11-27
Release date:2020-02-12
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:TrkA undergoes a tetramer-to-dimer conversion to open TrkH which enables changes in membrane potential.
Nat Commun, 11, 2020
6V4K
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BU of 6v4k by Molmil
Structure of TrkH-TrkA in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Potassium transporter peripheral membrane component, Trk system potassium uptake protein
Authors:Zhou, M, Zhang, H.
Deposit date:2019-11-27
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.53004146 Å)
Cite:TrkA undergoes a tetramer-to-dimer conversion to open TrkH which enables changes in membrane potential.
Nat Commun, 11, 2020
3FST
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BU of 3fst by Molmil
Crystal Structure of Escherichia coli Methylenetetrahydrofolate Reductase Mutant Phe223Leu at pH 7.4
Descriptor: 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, MESO-ERYTHRITOL, ...
Authors:Tanner, J.J.
Deposit date:2009-01-12
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Functional role for the conformationally mobile phenylalanine 223 in the reaction of methylenetetrahydrofolate reductase from Escherichia coli.
Biochemistry, 48, 2009

223532

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