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2HQ7
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BU of 2hq7 by Molmil
Crystal structure of Protein related to general stress protein 26(GS26) of B.subtilis (pyridoxinephosphate oxidase family) (NP_350077.1) from CLOSTRIDIUM ACETOBUTYLICUM at 2.00 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Protein, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-07-18
Release date:2006-08-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Protein related to general stress protein 26(GS26) of B.subtilis (pyridoxinephosphate oxidase family) (NP_350077.1) from CLOSTRIDIUM ACETOBUTYLICUM at 2.00 A resolution
To be published
3GE5
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BU of 3ge5 by Molmil
Crystal structure of a putative nad(p)h:fmn oxidoreductase (pg0310) from porphyromonas gingivalis w83 at 1.70 A resolution
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, SULFATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-02-25
Release date:2009-03-17
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of putative NAD(P)H:FMN oxidoreductase (NP_904626.1) from PORPHYROMONAS GINGIVALIS W83 at 1.70 A resolution
To be published
3WRX
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BU of 3wrx by Molmil
Crystal structure of helicase complex 1
Descriptor: CESIUM ION, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Matsumura, H, Katoh, E.
Deposit date:2014-02-27
Release date:2014-08-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the recognition-evasion arms race between Tomato mosaic virus and the resistance gene Tm-1
Proc.Natl.Acad.Sci.USA, 111, 2014
2C0Z
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BU of 2c0z by Molmil
The 1.6 A resolution crystal structure of NovW: a 4-keto-6-deoxy sugar epimerase from the novobiocin biosynthetic gene cluster of Streptomyces spheroides
Descriptor: 1,2-ETHANEDIOL, NOVW, SULFATE ION
Authors:Jakimowicz, P, Tello, M, Freel-Meyers, C.L, Walsh, C.T, Buttner, M.J, Field, R.A, Lawson, D.M.
Deposit date:2005-09-09
Release date:2006-01-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The 1.6 A Resolution Crystal Structure of Novw: A 4-Keto-6-Deoxy Sugar Epimerase from the Novobiocin Biosynthetic Gene Cluster of Streptomyces Spheroides
Proteins, 63, 2006
3G68
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BU of 3g68 by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHOSUGAR ISOMERASE (CD3275) FROM CLOSTRIDIUM DIFFICILE 630 AT 1.80 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Putative phosphosugar isomerase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-02-06
Release date:2009-02-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of double-SIS domain protein (YP_001089791.1) from Clostridium difficile 630 at 1.80 A resolution
To be published
4QJ8
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BU of 4qj8 by Molmil
Crystal structure of inactive HIV-1 protease variant (I50V/A71V) in complex with p1-p6 substrate variant (P453L)
Descriptor: GLYCEROL, PHOSPHATE ION, Protease, ...
Authors:Lin, K.H, Schiffer, C.A.
Deposit date:2014-06-03
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease.
Proc.Natl.Acad.Sci.USA, 111, 2014
3RPF
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BU of 3rpf by Molmil
Protein-protein complex of subunit 1 and 2 of Molybdopterin-converting factor from Helicobacter pylori 26695
Descriptor: 1,2-ETHANEDIOL, Molybdopterin converting factor, subunit 1 (MoaD), ...
Authors:Nocek, B, Stein, A, Marshall, N, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-04-26
Release date:2011-06-29
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protein-protein complex of subunit 1 and 2 of Molybdopterin-converting factor from Helicobacter pylori 26695
TO BE PUBLISHED
3ON6
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BU of 3on6 by Molmil
Crystal structure of an exo-alpha-1,6-mannosidase (bacova_03626) from bacteroides ovatus at 1.70 a resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-08-27
Release date:2010-09-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a Bacterial protein of unknown function (BACOVA_03626) from Bacteroides ovatus at 1.70 A resolution
To be published
3RU1
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BU of 3ru1 by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide
Descriptor: 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-04
Release date:2011-08-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3I10
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BU of 3i10 by Molmil
Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (NP_812074.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.35 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-06-25
Release date:2009-07-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (NP_812074.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.35 A resolution
To be Published
1BWO
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BU of 1bwo by Molmil
THE CRYSTAL STRUCTURE OF WHEAT NON-SPECIFIC TRANSFER PROTEIN COMPLEXED WITH TWO MOLECULES OF PHOSPHOLIPID AT 2.1 A RESOLUTION
Descriptor: NONSPECIFIC LIPID-TRANSFER PROTEIN, [1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE
Authors:Charvolin, D, Cohen-Addad, C, Pebay-Peyroula, E.
Deposit date:1998-09-25
Release date:1999-08-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of a wheat nonspecific lipid transfer protein (ns-LTP1) complexed with two molecules of phospholipid at 2.1 A resolution.
Eur.J.Biochem., 264, 1999
3CWR
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BU of 3cwr by Molmil
Crystal structure of transcriptional regulator of TetR family (YP_425770.1) from Rhodospirillum rubrum ATCC 11170 at 1.50 A resolution
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Transcriptional regulator, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-04-22
Release date:2008-05-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of transcriptional regulator of TetR family (YP_425770.1) from Rhodospirillum rubrum ATCC 11170 at 1.50 A resolution
To be published
3CXW
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BU of 3cxw by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand I
Descriptor: (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, CHLORIDE ION, Pimtide peptide, ...
Authors:Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, Roos, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-04-25
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:7,8-Dichloro-1-oxo-beta-carbolines as a Versatile Scaffold for the Development of Potent and Selective Kinase Inhibitors with Unusual Binding Modes
J.Med.Chem., 55, 2012
3ZSX
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BU of 3zsx by Molmil
Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design
Descriptor: 1,2-ETHANEDIOL, 5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate, ACETATE ION, ...
Authors:Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J.
Deposit date:2011-07-01
Release date:2012-07-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
1C3W
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BU of 1c3w by Molmil
BACTERIORHODOPSIN/LIPID COMPLEX AT 1.55 A RESOLUTION
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN (GROUND STATE WILD TYPE "BR"), ...
Authors:Luecke, H.
Deposit date:1999-07-28
Release date:1999-09-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of bacteriorhodopsin at 1.55 A resolution.
J.Mol.Biol., 291, 1999
4ZMJ
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BU of 4zmj by Molmil
Crystal Structure of Ligand-Free BG505 SOSIP.664 HIV-1 Env Trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2015-05-04
Release date:2015-06-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Crystal structure, conformational fixation and entry-related interactions of mature ligand-free HIV-1 Env.
Nat.Struct.Mol.Biol., 22, 2015
3OS7
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BU of 3os7 by Molmil
Crystal structure of a galactose mutarotase-like protein (CA_C0697) from CLOSTRIDIUM ACETOBUTYLICUM at 1.80 A resolution
Descriptor: 1,2-ETHANEDIOL, L(+)-TARTARIC ACID, TETRAETHYLENE GLYCOL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-09-08
Release date:2010-10-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a galactose mutarotase-like protein (CA_C0697) from CLOSTRIDIUM ACETOBUTYLICUM at 1.80 A resolution
To be published
3D4E
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BU of 3d4e by Molmil
Crystal structure of putative beta-lactamase inhibitor protein (NP_721579.1) from STREPTOCOCCUS MUTANS at 1.40 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, putative beta-lactamase inhibitor protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-05-14
Release date:2008-07-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of putative beta-lactamase inhibitor protein (NP_721579.1) from STREPTOCOCCUS MUTANS at 1.40 A resolution
To be published
3FSG
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BU of 3fsg by Molmil
Crystal structure of alpha/beta superfamily hydrolase from Oenococcus oeni PSU-1
Descriptor: 1,2-ETHANEDIOL, Alpha/beta superfamily hydrolase, CHLORIDE ION, ...
Authors:Nocek, B, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-01-09
Release date:2009-01-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of alpha/beta superfamily hydrolase from Oenococcus oeni PSU-1
To be Published
1HEG
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BU of 1heg by Molmil
The crystal structures at 2.2 angstroms resolution of hydroxyethylene-based inhibitors bound to human immunodeficiency virus type 1 protease show that the inhibitors are present in two distinct orientations
Descriptor: HIV-1 PROTEASE, methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate
Authors:Murthy, K, Winborne, E.L, Minnich, M.D, Culp, J.S, Debouck, C.
Deposit date:1992-09-21
Release date:1994-05-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structures at 2.2-A resolution of hydroxyethylene-based inhibitors bound to human immunodeficiency virus type 1 protease show that the inhibitors are present in two distinct orientations.
J.Biol.Chem., 267, 1992
1TJP
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BU of 1tjp by Molmil
Crystal Structure Of Wild-Type Tryptophan Synthase Complexed With 1-[(2-hydroxylphenyl)amino]3-glycerolphosphate
Descriptor: 1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Kulik, V, Hartmann, E, Weyand, M, Frey, M, Gierl, A, Niks, D, Dunn, M.F, Schlichting, I.
Deposit date:2004-06-07
Release date:2005-12-27
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:On the structural basis of the catalytic mechanism and the regulation of the alpha subunit of tryptophan synthase from Salmonella typhimurium and BX1 from maize, two evolutionarily related enzymes.
J.Mol.Biol., 352, 2005
3RVI
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BU of 3rvi by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide
Descriptor: (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-06
Release date:2011-08-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
7DCZ
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BU of 7dcz by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-4H-1,3-thiazin-4-yl]-4- fluorophenyl}-5-cyanopyridine-2-carboxamide
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Koriyama, Y, Hori, A, Ito, H, Yonezawa, S, Baba, Y, Tanimoto, N, Ueno, T, Yamamoto, S, Yamamoto, T, Asada, N, Morimoto, K, Einaru, S, Sakai, K, Kanazu, T, Matsuda, A, Yamaguchi, Y, Oguma, T, Timmers, M, Tritsmans, L, Kusakabe, K.I, Kato, A, Sakaguchi, G.
Deposit date:2020-10-27
Release date:2021-03-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Atabecestat (JNJ-54861911): A Thiazine-Based beta-Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor Advanced to the Phase 2b/3 EARLY Clinical Trial.
J.Med.Chem., 64, 2021
3RTM
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BU of 3rtm by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
Descriptor: 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
1LRA
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BU of 1lra by Molmil
CRYSTALLOGRAPHIC STUDY OF GLU 58 ALA RNASE T1(ASTERISK)2'-GUANOSINE MONOPHOSPHATE AT 1.9 ANGSTROMS RESOLUTION
Descriptor: GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1, SODIUM ION
Authors:Pletinckx, J, Steyaert, J, Choe, H.-W, Heinemann, U, Wyns, L.
Deposit date:1993-10-01
Release date:1994-01-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic study of Glu58Ala RNase T1 x 2'-guanosine monophosphate at 1.9-A resolution.
Biochemistry, 33, 1994

243083

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