4IPT
 
 | | The crystal structure of a short-chain dehydrogenases/reductase (ethylated) from Veillonella parvula DSM 2008 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | Authors: | Tan, K, Hatzos-Skintges, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-01-10 | | Release date: | 2013-02-06 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (1.546 Å) | | Cite: | The crystal structure of a short-chain dehydrogenases/reductase (ethylated) from Veillonella parvula DSM 2008
To be Published
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5Q0Q
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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3E0Z
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3DUU
 | | Crystal structure of SAG506-01, orthorhombic, twinned, crystal 2 | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ... | | Authors: | Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V. | | Deposit date: | 2008-07-17 | | Release date: | 2008-12-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments.
Acta Crystallogr.,Sect.D, 64, 2008
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5POX
 | | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11075a | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION, ... | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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2PG8
 | | Crystal structure of R254K mutanat of DpgC with bound substrate analog | | Descriptor: | DpgC, OXYGEN MOLECULE, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | | Authors: | Fielding, E.N. | | Deposit date: | 2007-04-09 | | Release date: | 2008-01-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Substrate Recognition and Catalysis by the Cofactor-Independent Dioxygenase DpgC.
Biochemistry, 46, 2007
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2ZO5
 | | Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in a complex with azide | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, ... | | Authors: | Polyakov, K.M, Boyko, K.M, Slutsky, A, Tikhonova, T.V, Antipov, A.N, Zvyagilskaya, R.A, Popov, A.N, Lamzin, V.S, Bourenkov, G.P, Popov, V.O. | | Deposit date: | 2008-05-05 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-resolution structural analysis of a novel octaheme cytochrome c nitrite reductase from the haloalkaliphilic bacterium Thioalkalivibrio nitratireducens
J.Mol.Biol., 389, 2009
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4HCL
 | | CRYSTAL STRUCTURE OF D-GLUCARATE DEHYDRATASE FROM AGROBACTERIUM TUMEFACIENS complexed with magnesium and L-Lyxarohydroxamate | | Descriptor: | (2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID, Isomerase/lactonizing enzyme, MAGNESIUM ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2012-09-30 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | CRYSTAL STRUCTURE OF D-GLUCARATE DEHYDRATASE FROM AGROBACTERIUM TUMEFACIENS complexed with magnesium and L-Lyxarohydroxamate
To be Published
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2PG2
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2ZJI
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4ABN
 | | Crystal structure of full length mouse Strap (TTC5) | | Descriptor: | 1,2-ETHANEDIOL, TETRATRICOPEPTIDE REPEAT PROTEIN 5 | | Authors: | Pike, A.C.W, Bullock, A.N, Kleinekofort, W, Zimmermann, T, Burgess-Brown, N, Sharpe, T.D, Thangaratnarajah, C, Keates, T, Ugochukwu, E, Bunkoczi, G, Uppenberg, J, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, La Thangue, N.B, Knapp, S. | | Deposit date: | 2011-12-09 | | Release date: | 2012-01-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The P53 Cofactor Strap Exhibits an Unexpected Tpr Motif and Oligonucleotide-Binding (Ob)-Fold Structure.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3GIU
 | | 1.25 Angstrom Crystal Structure of Pyrrolidone-Carboxylate Peptidase (pcp) from Staphylococcus aureus | | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-03-06 | | Release date: | 2009-03-17 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | 1.25 Angstrom Crystal Structure of Pyrrolidone-Carboxylate Peptidase (pcp) from Staphylococcus aureus
TO BE PUBLISHED
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2NTG
 | | Structure of Spin-labeled T4 Lysozyme Mutant T115R7 | | Descriptor: | BETA-MERCAPTOETHANOL, Lysozyme, S-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. | | Deposit date: | 2006-11-07 | | Release date: | 2007-06-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme.
Protein Sci., 16, 2007
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4IKW
 | | Crystal structure of peptide transporter POT in complex with sulfate | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Di-tripeptide ABC transporter (Permease), OLEIC ACID, ... | | Authors: | Doki, S, Kato, H.E, Ishitani, R, Nureki, O. | | Deposit date: | 2012-12-28 | | Release date: | 2013-07-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Structural basis for dynamic mechanism of proton-coupled symport by the peptide transporter POT.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4IO1
 | | Crystal structure of ribose-5-isomerase A from Francisella Tularensis | | Descriptor: | BROMIDE ION, CHLORIDE ION, PHOSPHATE ION, ... | | Authors: | Rostankowski, R, Nakka, C, Grimshaw, S, Borek, D, Otwinowski, Z, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-01-07 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and biophysical studies of Ribose-5-Phosphate Isomerase A from Francisella Tularensis
To be published
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1GZP
 | | CD1b in complex with GM2 ganglioside | | Descriptor: | B2-MICROGLOBULIN, DOCOSANE, DODECANE, ... | | Authors: | Gadola, S.D, Zaccai, N.R, Harlos, K, Shepherd, D, Ritter, G, Schmidt, R.R, Jones, E.Y, Cerundolo, V. | | Deposit date: | 2002-05-24 | | Release date: | 2002-07-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of human CD1b with bound ligands at 2.3 A, a maze for alkyl chains.
Nat. Immunol., 3, 2002
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3G82
 | | Complex of GS-alpha with the catalytic domains of mammalian adenylyl cyclase: complex with MANT-ITP and Mn | | Descriptor: | 3'-O-{[2-(methylamino)phenyl]carbonyl}inosine 5'-(tetrahydrogen triphosphate), 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 2, ... | | Authors: | Huebner, M, Mou, T.-C, Sprang, S.R, Seifert, R. | | Deposit date: | 2009-02-11 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | 2',3'-(O)-(N-Methyl)anthraniloyl-inosine 5'-triphosphate is the Most Potent Adenylyl Cyclase 1 and 5 Inhibitor Known so far and Effectively Promotes Catalytic Subunit Assembly in the Absence of Forskolin
To be Published
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4AQD
 | | Crystal structure of fully glycosylated human butyrylcholinesterase | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Wandhammer, M, Ronco, C, Trovaslet, M, Jean, L, Lockridge, O, Renard, P.Y, Nachon, F. | | Deposit date: | 2012-04-16 | | Release date: | 2012-07-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Human butyrylcholinesterase produced in insect cells: huprine-based affinity purification and crystal structure.
FEBS J., 279, 2012
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4IQN
 | | Crystal structure of uncharacterized protein from Salmonella enterica subsp. enterica serovar typhimurium str. 14028s | | Descriptor: | DI(HYDROXYETHYL)ETHER, Putative cytoplasmic protein, TETRAETHYLENE GLYCOL | | Authors: | Chang, C, Hatzos-Skintges, C, Adkins, J.N, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | | Deposit date: | 2013-01-11 | | Release date: | 2013-01-23 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of uncharacterized protein from salmonella enterica subsp. enterica serovar typhimurium str. 14028s
To be Published
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3UP9
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2PKK
 | | Crystal structure of M tuberculosis Adenosine Kinase complexed with 2-fluro adenosine | | Descriptor: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase | | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2007-04-17 | | Release date: | 2007-06-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme
J.Biol.Chem., 282, 2007
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3BJQ
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3B9R
 | | SERCA Ca2+-ATPase E2 aluminium fluoride complex without thapsigargin | | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | | Authors: | Olesen, C, Picard, M, Winther, A.M.L, Morth, J.P, Moller, J.V, Nissen, P. | | Deposit date: | 2007-11-06 | | Release date: | 2007-12-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The structural basis of calcium transport by the calcium pump
Nature, 450, 2007
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4GXF
 | | Role of the biradical intermediate observed during the turnover of SLAC: A two-domain laccase from Streptomyces coelicolor | | Descriptor: | COPPER (II) ION, OXYGEN ATOM, Putative copper oxidase, ... | | Authors: | Nederlof, I, Gupta, A, Canters, G.W. | | Deposit date: | 2012-09-04 | | Release date: | 2012-09-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.734 Å) | | Cite: | Involvement of Tyr108 in the enzyme mechanism of the small laccase from Streptomyces coelicolor
J.Am.Chem.Soc., 134, 2012
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5PNZ
 | | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10162a | | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-methoxyphenyl)methyl]-1H-tetrazole, Bromodomain-containing protein 1, ... | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.557 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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