4EIG
 
 | | CA1698 camel antibody fragment in complex with DHFR | | Descriptor: | CA1698 camel antibody fragment, Dihydrofolate reductase | | Authors: | Oyen, D, Srinivasan, V. | | Deposit date: | 2012-04-05 | | Release date: | 2013-04-24 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanistic analysis of allosteric and non-allosteric effects arising from nanobody binding to two epitopes of the dihyrofolate reductase of Escherichia coli.
Biochim.Biophys.Acta, 1834, 2013
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1AJ7
 | | IMMUNOGLOBULIN 48G7 GERMLINE FAB ANTIBODY COMPLEXED WITH HAPTEN 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID. AFFINITY MATURATION OF AN ESTEROLYTIC ANTIBODY | | Descriptor: | 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID, IMMUNOGLOBULIN 48G7 FAB (HEAVY CHAIN), IMMUNOGLOBULIN 48G7 FAB (LIGHT CHAIN) | | Authors: | Wedemayer, G.J, Wang, L.H, Patten, P.A, Schultz, P.G, Stevens, R.C. | | Deposit date: | 1997-05-15 | | Release date: | 1997-11-12 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into the evolution of an antibody combining site.
Science, 276, 1997
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4HHQ
 | | Serum paraoxonase-1 by directed evolution with the H115Q and H134Q mutations | | Descriptor: | BROMIDE ION, CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Moshe, B.-D, Grzegorz, W, Mikael, E, Israel, S, Joel, L.S, Dan, S.T. | | Deposit date: | 2012-10-10 | | Release date: | 2013-03-27 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Catalytic metal ion rearrangements underline promiscuity and evolvability of a metalloenzyme.
J.Mol.Biol., 425, 2013
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1YNH
 | | Crystal Structure of N-Succinylarginine Dihydrolase, AstB, bound to Substrate and Product, an Enzyme from the Arginine Catabolic Pathway of Escherichia coli | | Descriptor: | N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE, POTASSIUM ION, Succinylarginine Dihydrolase | | Authors: | Tocilj, A, Schrag, J.D, Li, Y, Schneider, B.L, Reitzer, L, Matte, A, Cygler, M. | | Deposit date: | 2005-01-24 | | Release date: | 2005-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of N-succinylarginine dihydrolase AstB, bound to substrate and product, an enzyme from the arginine catabolic pathway of Escherichia coli.
J.Biol.Chem., 280, 2005
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1YSN
 | | Solution structure of the anti-apoptotic protein Bcl-xL complexed with an acyl-sulfonamide-based ligand | | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-X | | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | | Deposit date: | 2005-02-08 | | Release date: | 2005-06-07 | | Last modified: | 2023-11-29 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
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2DCP
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3A78
 | | Crystal structure of the human VDR ligand binding domain bound to the natural metabolite 1alpha,25-dihydroxy-3-epi-vitamin D3 | | Descriptor: | (1S,3S,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol, SULFATE ION, Vitamin D3 receptor | | Authors: | Sato, Y, Sigueiro, R, Antony, P, Rochel, N, Moras, D. | | Deposit date: | 2009-09-18 | | Release date: | 2010-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis of the activation of the human Vitamin D receptor by the natural metabolite 1alpha,25-dihydroxy-3-epi-vitamin D3
To be Published
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3R8A
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1LKR
 | | MONOCLINIC HEN EGG WHITE LYSOZYME IODIDE | | Descriptor: | IODIDE ION, LYSOZYME | | Authors: | Steinrauf, L.K. | | Deposit date: | 1998-01-20 | | Release date: | 1998-04-29 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of monoclinic lysozyme iodide at 1.6 A and of triclinic lysozyme nitrate at 1.1 A.
Acta Crystallogr.,Sect.D, 54, 1998
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1YMU
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1YMV
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1ZUV
 | | 24 NMR structures of AcAMP2-Like Peptide with Phenylalanine 18 mutated to Tryptophan | | Descriptor: | AMARANTHUS CAUDATUS ANTIMICROBIAL PEPTIDE 2 | | Authors: | Chavez, M.I, Andreu, C, Vidal, P, Freire, F, Aboitiz, N, Groves, P, Asensio, J.L, Asensio, G, Muraki, M, Canada, F.J, Jimenez-Barbero, J. | | Deposit date: | 2005-06-01 | | Release date: | 2005-12-06 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | On the Importance of Carbohydrate-Aromatic Interactions for the Molecular Recognition of Oligosaccharides by Proteins: NMR Studies of the Structure and Binding Affinity of AcAMP2-like Peptides with Non-Natural Naphthyl and Fluoroaromatic Residues
Chemistry, 11, 2005
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3T84
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4HL9
 | | Crystal structure of antibiotic biosynthesis monooxygenase | | Descriptor: | Antibiotic biosynthesis monooxygenase | | Authors: | Rice, S, Eswaramoorthy, S, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-10-16 | | Release date: | 2012-10-31 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of antibiotic biosynthesis monooxygenase
To be Published
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3T3R
 | | Human Cytochrome P450 2A6 in complex with Pilocarpine | | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | DeVore, N.M, Scott, E.E. | | Deposit date: | 2011-07-25 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
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3T69
 | | Crystal structure of a putative 2-dehydro-3-deoxygalactonokinase protein from Sinorhizobium meliloti | | Descriptor: | Putative 2-dehydro-3-deoxygalactonokinase, SULFATE ION | | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-07-28 | | Release date: | 2011-08-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of a putative 2-dehydro-3-deoxygalactonokinase protein from Sinorhizobium meliloti
To be Published
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1OFR
 | | CRYSTAL STRUCTURE OF THE TYROSINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH PHENYLALANINE AND MANGANESE | | Descriptor: | MANGANESE (II) ION, PHENYLALANINE, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE | | Authors: | Koenig, V, Pfeil, A, Heinrich, G, Braus, G, Schneider, T.R. | | Deposit date: | 2003-04-18 | | Release date: | 2004-04-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism.
J.Mol.Biol., 337, 2004
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4IA2
 | | Diastereotopic and Deuterium Effects in Gemini | | Descriptor: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... | | Authors: | Maehr, H, Rochel, N, Suh, N, Uskokovic, M. | | Deposit date: | 2012-12-06 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Diastereotopic and deuterium effects in gemini.
J.Med.Chem., 56, 2013
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3SZL
 | | IspH:Ligand Mutants - wt 70sec | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | | Deposit date: | 2011-07-19 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
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3F28
 | | Thermolysin inhibition | | Descriptor: | 2-[(cyclopropylcarbonyl)oxy]-3-methylbenzoic acid, CALCIUM ION, Thermolysin, ... | | Authors: | Englert, L, Heine, A, Klebe, G. | | Deposit date: | 2008-10-29 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Fragment-Based Lead Discovery: Screening and Optimizing Fragments for Thermolysin Inhibition.
Chemmedchem, 5, 2010
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3FCQ
 | | Thermolysin inhibition | | Descriptor: | 2-(acetyloxy)-3-methylbenzoic acid, CALCIUM ION, Thermolysin, ... | | Authors: | Steuber, H, Englert, L, Silber, K, Heine, A, Klebe, G. | | Deposit date: | 2008-11-22 | | Release date: | 2009-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Fragment-Based Lead Discovery: Screening and Optimizing Fragments for Thermolysin Inhibition.
Chemmedchem, 5, 2010
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1UFU
 | | Crystal structure of ligand binding domain of immunoglobulin-like transcript 2 (ILT2; LIR-1) | | Descriptor: | Immunoglobulin-like transcript 2 | | Authors: | Shiroishi, M, Amano, K, Rasubala, L, Tsumoto, K, Kumagai, I, Kohda, D, Maenaka, K. | | Deposit date: | 2003-06-10 | | Release date: | 2004-08-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Kinetic and thermodynamic properties of the interaction between Immunoglobulin like transcript (ILT) and MHC class I
To be Published
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3O44
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3T3Q
 | | Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Pilocarpine | | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | DeVore, N.M, Scott, E.E. | | Deposit date: | 2011-07-25 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
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3T9P
 | | Crystal structure of a putative mandelate racemase/muconate lactonizing enzyme family protein from Roseovarius | | Descriptor: | FORMIC ACID, GLYCEROL, Mandelate racemase/muconate lactonizing enzyme family protein, ... | | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-08-03 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structure of a putative mandelate racemase/muconate lactonizing enzyme family protein from Roseovarius
To be Published
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