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2QG1
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BU of 2qg1 by Molmil
Crystal structure of the 11th PDZ domain of MPDZ (MUPP1)
Descriptor: 1,2-ETHANEDIOL, Multiple PDZ domain protein
Authors:Papagrigoriou, E, Salah, E, Phillips, C, Savitsky, P, Boisguerin, P, Oschkinat, H, Gileadi, C, Yang, X, Elkins, J.M, Ugochukwu, E, Bunkoczi, G, Uppenberg, J, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2007-06-28
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the 11th PDZ domain of MPDZ (MUPP1).
To be Published
1X9F
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BU of 1x9f by Molmil
Hemoglobin Dodecamer from Lumbricus Erythrocruorin
Descriptor: CARBON MONOXIDE, Globin II, extracellular, ...
Authors:Strand, K, Knapp, J.E, Bhyravbhatla, B, Royer Jr, W.E.
Deposit date:2004-08-20
Release date:2004-11-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the hemoglobin dodecamer from lumbricus erythrocruorin: allosteric core of giant annelid respiratory complexes
J.Mol.Biol., 344, 2004
4TNH
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BU of 4tnh by Molmil
RT XFEL structure of Photosystem II in the dark state at 4.9 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.900007 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
2CV4
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BU of 2cv4 by Molmil
Crystal Structure of an Archaeal Peroxiredoxin from the Aerobic Hyperthermophilic Crenarchaeon Aeropyrum pernix K1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ISOPROPYL ALCOHOL, peroxiredoxin
Authors:Mizohata, E, Sakai, H, Fusatomi, E, Terada, T, Murayama, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-31
Release date:2005-06-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of an Archaeal Peroxiredoxin from the Aerobic Hyperthermophilic Crenarchaeon Aeropyrum pernix K1
J.Mol.Biol., 354, 2005
1PSR
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BU of 1psr by Molmil
HUMAN PSORIASIN (S100A7)
Descriptor: HOLMIUM ATOM, PSORIASIN
Authors:Brodersen, D.E, Etzerodt, M, Madsen, P, Celis, J, Thoegersen, H.C, Nyborg, J, Kjeldgaard, M.
Deposit date:1997-11-27
Release date:1999-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:EF-hands at atomic resolution: the structure of human psoriasin (S100A7) solved by MAD phasing.
Structure, 6, 1998
1PN8
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BU of 1pn8 by Molmil
Coordinates of S12, L11 proteins and E-site tRNA from 70S crystal structure separately fitted into the Cryo-EM map of E.coli 70S.EF-G.GDPNP complex. The atomic coordinates originally from the E-site tRNA were fitted in the position of the hybrid P/E-site tRNA.
Descriptor: 30S ribosomal protein S12, 50S ribosomal protein L11, E-tRNA
Authors:Valle, M, Zavialov, A, Sengupta, J, Rawat, U, Ehrenberg, M, Frank, J.
Deposit date:2003-06-12
Release date:2003-07-15
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (10.8 Å)
Cite:Locking and Unlocking of Ribosomal Motions
Cell(Cambridge,Mass.), 114, 2003
1PRQ
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BU of 1prq by Molmil
ACANTHAMOEBA CASTELLANII PROFILIN IA
Descriptor: PROFILIN IA
Authors:Fedorov, A.A, Pollard, T.D, Way, M, Lattman, E.E, Almo, S.C.
Deposit date:1997-08-18
Release date:1997-12-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal packing induces a conformational change in profilin-I from Acanthamoeba castellanii.
J.Struct.Biol., 123, 1998
3E3Y
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BU of 3e3y by Molmil
Q138F HincII bound to GTTAAC and cocrystallized with 5 mM Ca2+
Descriptor: 5'-D(*DGP*DCP*DCP*DGP*DGP*DTP*DTP*DAP*DAP*DCP*DCP*DGP*DGP*DC)-3', CALCIUM ION, SODIUM ION, ...
Authors:Horton, N.C, Babic, A.C, Little, E.J, Manohar, V.M.
Deposit date:2008-08-08
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:DNA distortion and specificity in a sequence-specific endonuclease.
J.Mol.Biol., 383, 2008
2Y5L
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BU of 2y5l by Molmil
orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase
Descriptor: FRUCTOSE-1,6-BISPHOSPHATASE 1, N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide
Authors:ruf, a, hebeisen, p, haap, w, kuhn, b, mohr, p, wessel, h.p, zutter, u, kirchner, s, benz, j, joseph, c, alvarez-sanchez, r, gubler, m, schott, b, benardeau, a, tozzo, e, kitas, e.
Deposit date:2011-01-14
Release date:2011-05-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase.
Bioorg.Med.Chem.Lett., 21, 2011
1PO5
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BU of 1po5 by Molmil
Structure of mammalian cytochrome P450 2B4
Descriptor: Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Scott, E.E, He, Y.A, Wester, M.R, White, M.A, Chin, C.C, Halpert, J.R, Johnson, E.F, Stout, C.D.
Deposit date:2003-06-13
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An open conformation of mammalian cytochrome P450 2B4 at 1.6 A resolution
Proc.Natl.Acad.Sci.USA, 100, 2003
1QVG
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BU of 1qvg by Molmil
Structure of CCA oligonucleotide bound to the tRNA binding sites of the large ribosomal subunit of Haloarcula marismortui
Descriptor: 23S ribosomal rna, 50S RIBOSOMAL PROTEIN L10E, 50S ribosomal protein L13P, ...
Authors:Schmeing, T.M, Moore, P.B, Steitz, T.A.
Deposit date:2003-08-27
Release date:2003-11-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of deacylated tRNA mimics bound to the E site of the large ribosomal subunit
RNA, 9, 2003
3GRT
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BU of 3grt by Molmil
HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED TRYPANOTHIONE COMPLEX
Descriptor: 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE
Authors:Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F.
Deposit date:1997-02-12
Release date:1997-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
2DTZ
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BU of 2dtz by Molmil
Crystal Structure of multidrug binding protein QacR from Staphylococcus aureus cocrystallized with compound DB75
Descriptor: HTH-type transcriptional regulator qacR, SULFATE ION
Authors:Brooks, B.E, Brennan, R.G.
Deposit date:2006-07-19
Release date:2007-07-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Multidrug-Binding Transcription Factor QacR Binds the Bivalent Aromatic Diamidines DB75 and DB359 in Multiple Positions
J.Am.Chem.Soc., 129, 2007
1DIM
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BU of 1dim by Molmil
SIALIDASE FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH EPANA INHIBITOR
Descriptor: (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, POTASSIUM ION, SIALIDASE
Authors:Garman, E.F, Crennell, S.C, Vimr, E.R, Laver, W.G, Taylor, G.L.
Deposit date:1996-04-23
Release date:1996-12-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structures of Salmonella typhimurium LT2 neuraminidase and its complexes with three inhibitors at high resolution.
J.Mol.Biol., 259, 1996
2G20
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BU of 2g20 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring
Descriptor: N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-15
Release date:2006-06-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ketopiperazine-based renin inhibitors: optimization of the
Bioorg.Med.Chem.Lett., 16, 2006
1IDF
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BU of 1idf by Molmil
ISOCITRATE DEHYDROGENASE K230M MUTANT APO ENZYME
Descriptor: ISOCITRATE DEHYDROGENASE
Authors:Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L.
Deposit date:1995-01-18
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
1J6V
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BU of 1j6v by Molmil
CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, C2
Descriptor: AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, ZINC ION
Authors:Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G.
Deposit date:2001-05-14
Release date:2001-06-08
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
1LX6
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BU of 1lx6 by Molmil
Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Benzamide Inhibitor
Descriptor: 3-[(ACETYL-METHYL-AMINO)-METHYL]-4-AMINO-N-METHYL-N-(1-METHYL-1H-INDOL-2-YLMETHYL)-BENZAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Smith, W.W, Qiu, X, Janson, C.A.
Deposit date:2002-06-04
Release date:2002-09-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI).
J.Med.Chem., 45, 2002
1MM5
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BU of 1mm5 by Molmil
Solution NMR structure of the outer membrane enzyme PagP in OG micelles
Descriptor: CrcA protein
Authors:Hwang, P.M, Choy, W.-Y, Lo, E.I, Chen, L, Forman-Kay, J.D, Raetz, C.R.H, Prive, G.G, Bishop, R.E, Kay, L.E.
Deposit date:2002-09-03
Release date:2002-09-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure and Dynamics of the Outer Membrane Enzyme PagP by NMR
Proc.Natl.Acad.Sci.USA, 99, 2002
2FPP
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BU of 2fpp by Molmil
Crystal structure of pig GTP-specific succinyl-CoA synthetase from polyethylene glycol with chloride ions
Descriptor: CHLORIDE ION, SULFATE ION, Succinyl-CoA ligase [GDP-forming] alpha-chain, ...
Authors:Fraser, M.E, Hayakawa, K, Hume, M.S, Ryan, D.G, Brownie, E.R.
Deposit date:2006-01-16
Release date:2006-02-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Interactions of GTP with the ATP-grasp Domain of GTP-specific Succinyl-CoA Synthetase
J.Biol.Chem., 281, 2006
2JOD
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BU of 2jod by Molmil
Pac1-Rshort N-terminal EC domain Pacap(6-38) complex
Descriptor: Pituitary adenylate cyclase-activating polypeptide, Pituitary adenylate cyclase-activating polypeptide type I receptor
Authors:Olejniczak, E.T, Sun, C, Song, D, Davis-Taber, R.A, Barrett, L.W, Scott, V.E, Richardson, P.L, Pereda-lopez, A, Uchic, M.E, Solomon, L.R, Lake, M.R, Walter, K.A, Hajduk, P.J.
Deposit date:2007-03-07
Release date:2007-05-22
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution structure and mutational analysis of pituitary adenylate cyclase-activating polypeptide binding to the extracellular domain of PAC1-RS.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2OWM
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BU of 2owm by Molmil
Motor domain of Neurospora crassa kinesin-3 (NcKin3)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Related to KINESIN-LIKE PROTEIN KIF1C
Authors:Marx, A, Muller, J, Mandelkow, E.-M, Woehlke, G, Mandelkow, E.
Deposit date:2007-02-16
Release date:2008-01-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:X-ray Structure and Microtubule Interaction of the Motor Domain of Neurospora crassa NcKin3, a Kinesin with Unusual Processivity
Biochemistry, 47, 2008
4AVT
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BU of 4avt by Molmil
Structure of CPHPC bound to Serum Amyloid P Component
Descriptor: (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Kolstoe, S.E, Purvis, A, Wood, S.P.
Deposit date:2012-05-29
Release date:2013-06-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc)
Acta Crystallogr.,Sect.D, 70, 2014
2ACT
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BU of 2act by Molmil
CRYSTALLOGRAPHIC REFINEMENT OF THE STRUCTURE OF ACTINIDIN AT 1.7 ANGSTROMS RESOLUTION BY FAST FOURIER LEAST-SQUARES METHODS
Descriptor: ACTINIDIN PRECURSOR, AMMONIUM ION
Authors:Baker, E.N.
Deposit date:1979-11-27
Release date:1980-03-07
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic Refinement of the Structure of Actinidin at 1.7 Angstroms Resolution by Fast Fourier Least-Squares Methods
Acta Crystallogr.,Sect.A, 36, 1980
2G1Y
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BU of 2g1y by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-15
Release date:2006-06-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006

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