2WWP
 
 | | Crystal structure of the human lipocalin-type prostaglandin D synthase | | Descriptor: | CHLORIDE ION, PROSTAGLANDIN-H2 D-ISOMERASE, THIOCYANATE ION | | Authors: | Roos, A.K, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotyenova, T, Kotzch, A, Kraulis, P, Markova, N, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-10-26 | | Release date: | 2010-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Dynamic Insights Into Substrate Binding and Catalysis of Human Lipocalin Prostaglandin D Synthase.
J.Lipid Res., 54, 2013
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2E95
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-675 | | Descriptor: | 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Guo, R.T, Cao, R, Ko, T.P, Jeng, W.Y, Chang, T.H, Chen, C.K.-M, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-01-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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3BJ3
 | | met-Perch hemoglobin at pH 8.0 | | Descriptor: | ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ... | | Authors: | Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N. | | Deposit date: | 2007-12-02 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
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3NXX
 | | Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | | Descriptor: | 5-[(1E)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cody, V. | | Deposit date: | 2010-07-14 | | Release date: | 2010-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
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3B8Y
 | | Crystal Structure of Pectate Lyase PelI from Erwinia chrysanthemi in complex with tetragalacturonic acid | | Descriptor: | CALCIUM ION, Endo-pectate lyase, ZINC ION, ... | | Authors: | Creze, C, Castang, S, Derivery, E, Haser, R, Shevchik, V, Gouet, P. | | Deposit date: | 2007-11-02 | | Release date: | 2008-04-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Crystal Structure of Pectate Lyase PelI from Soft Rot Pathogen Erwinia chrysanthemi in Complex with Its Substrate
J.Biol.Chem., 283, 2008
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3WNT
 | | Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | | Descriptor: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-benzylthioformamide, ... | | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | | Deposit date: | 2013-12-16 | | Release date: | 2014-03-05 | | Last modified: | 2015-04-01 | | Method: | X-RAY DIFFRACTION (2.074 Å) | | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor
Eur.J.Med.Chem., 93, 2015
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4DKR
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-169 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... | | Authors: | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | | Deposit date: | 2012-02-03 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
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3JAS
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2E8V
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with product GGPP (P21) | | Descriptor: | GERANYLGERANYL DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase | | Authors: | Chen, C.K.-M, Guo, R.T, Ko, T.P, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-01-23 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2E92
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-261 | | Descriptor: | (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Guo, R.T, Ko, T.P, Cao, R, Jeng, W.Y, Chen, C.K.-M, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-01-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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3JAT
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3JVA
 | | Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 | | Descriptor: | Dipeptide Epimerase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Imker, H, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-09-16 | | Release date: | 2010-08-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2E8U
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and IPP (P21) | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Guo, R.T, Chen, C.K.-M, Ko, T.P, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-01-23 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2E91
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-91 | | Descriptor: | Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, ZOLEDRONIC ACID | | Authors: | Guo, R.T, Ko, T.P, Cao, R, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-01-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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3B90
 | | Crystal Structure of the Catalytic Domain of Pectate Lyase PelI from Erwinia chrysanthemi | | Descriptor: | CALCIUM ION, Endo-pectate lyase, SULFATE ION, ... | | Authors: | Creze, C, Castang, S, Derivery, E, Haser, R, Shevchik, V, Gouet, P. | | Deposit date: | 2007-11-02 | | Release date: | 2008-04-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The Crystal Structure of Pectate Lyase PelI from Soft Rot Pathogen Erwinia chrysanthemi in Complex with Its Substrate
J.Biol.Chem., 283, 2008
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1BZO
 | | THREE-DIMENSIONAL STRUCTURE OF PROKARYOTIC CU,ZN SUPEROXIDE DISMUTASE FROM P.LEIOGNATHI, SOLVED BY X-RAY CRYSTALLOGRAPHY. | | Descriptor: | COPPER (II) ION, PROTEIN (SUPEROXIDE DISMUTASE), URANYL (VI) ION, ... | | Authors: | Bordo, D, Matak, D, Djinovic-Carugo, K, Rosano, C, Pesce, A, Bolognesi, M, Stroppolo, M.E, Falconi, M, Battistoni, A, Desideri, A. | | Deposit date: | 1998-11-02 | | Release date: | 1999-04-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Evolutionary constraints for dimer formation in prokaryotic Cu,Zn superoxide dismutase.
J.Mol.Biol., 285, 1999
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1BXO
 | | ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUT YL] HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL) PHENYLPROPANOATE | | Descriptor: | GLYCEROL, METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL)PHENYLPROPANOATE, PROTEIN (PENICILLOPEPSIN), ... | | Authors: | Khan, A.R, Parrish, J.C, Fraser, M.E, Smith, W.W, Bartlett, P.A, James, M.N.G. | | Deposit date: | 1998-10-07 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes.
Biochemistry, 37, 1998
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3BQU
 | | Crystal Structure of the 2F5 Fab'-3H6 Fab Complex | | Descriptor: | 2F5 Fab' heavy chain, 2F5 Fab' light chain, 3H6 Fab heavy chain, ... | | Authors: | Bryson, S, Julien, J.-P, Isenman, D.E, Kunert, R, Katinger, H, Pai, E.F. | | Deposit date: | 2007-12-20 | | Release date: | 2008-10-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of the complex between the F(ab)' fragment of the cross-neutralizing anti-HIV-1 antibody 2F5 and the F(ab) fragment of its anti-idiotypic antibody 3H6.
J.Mol.Biol., 382, 2008
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2HKC
 | | NMR Structure of the IQ-modified Dodecamer CTCGGC[IQ]GCCATC | | Descriptor: | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE, 5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3', 5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3' | | Authors: | Wang, F, DeMuro, N.E, Elmquist, C.E, Stover, J.S, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2006-07-03 | | Release date: | 2006-10-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Base-displaced intercalated structure of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme, a hotspot for -2 bp deletions.
J.Am.Chem.Soc., 128, 2006
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1QRK
 | | HUMAN FACTOR XIII WITH STRONTIUM BOUND IN THE ION SITE | | Descriptor: | PROTEIN (COAGULATION FACTOR XIII), STRONTIUM ION | | Authors: | Fox, B.A, Yee, V.C, Pederson, L.C, Le Trong, I, Bishop, P.D, Stenkamp, R.E, Teller, D.C. | | Deposit date: | 1999-06-14 | | Release date: | 1999-07-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Identification of the calcium binding site and a novel ytterbium site in blood coagulation factor XIII by x-ray crystallography.
J.Biol.Chem., 274, 1999
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3FE6
 | | Crystal structure of a pheromone binding protein from Apis mellifera with a serendipitous ligand at pH 5.5 | | Descriptor: | (20S)-20-methyldotetracontane, CHLORIDE ION, GLYCEROL, ... | | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | | Deposit date: | 2008-11-27 | | Release date: | 2009-12-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Queen bee pheromone binding protein pH induced domain-swapping favors pheromone release
To be Published
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2F00
 | | Escherichia coli MurC | | Descriptor: | MAGNESIUM ION, UDP-N-acetylmuramate--L-alanine ligase | | Authors: | Deva, T, Baker, E.N, Squire, C.J, Smith, C.A. | | Deposit date: | 2005-11-10 | | Release date: | 2006-10-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Escherichia coliUDP-N-acetylmuramoyl:L-alanine ligase (MurC).
Acta Crystallogr.,Sect.D, 62, 2006
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3NZK
 | | Structure of LpxC from Yersinia enterocolitica Complexed with CHIR090 Inhibitor | | Descriptor: | GLYCEROL, N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | | Authors: | Cole, K.E, Christianson, D.W. | | Deposit date: | 2010-07-16 | | Release date: | 2011-01-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the Metal-Dependent Deacetylase LpxC from Yersinia enterocolitica Complexed with the Potent Inhibitor CHIR-090 .
Biochemistry, 50, 2010
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1WQL
 | | Cumene dioxygenase (cumA1A2) from Pseudomonas fluorescens IP01 | | Descriptor: | FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, OXYGEN MOLECULE, ... | | Authors: | Dong, X, Fushinobu, S, Fukuda, E, Terada, T, Nakamura, S, Shimizu, K, Nojiri, H, Omori, T, Shoun, H, Wakagi, T. | | Deposit date: | 2004-09-30 | | Release date: | 2005-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the Terminal Oxygenase Component of Cumene Dioxygenase from Pseudomonas fluorescens IP01
J.BACTERIOL., 187, 2005
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1SJA
 | | X-ray structure of o-Succinylbenzoate Synthase complexed with N-acetylmethionine | | Descriptor: | MAGNESIUM ION, N-ACETYLMETHIONINE, N-acylamino acid racemase | | Authors: | Thoden, J.B, Taylor-Ringia, E.A, Garrett, J.B, Gerlt, J.A, Holden, H.M, Rayment, I. | | Deposit date: | 2004-03-03 | | Release date: | 2004-06-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evolution of Enzymatic Activity in the Enolase Superfamily: Structural Studies of the Promiscuous o-Succinylbenzoate Synthase from Amycolatopsis
Biochemistry, 43, 2004
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