1KGF
 
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1KGE
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4NKA
 | | Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with pyrazolaminopyrimidine 2 | | Descriptor: | 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N~4~-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine, ... | | Authors: | Norman, R.A, Klein, T. | | Deposit date: | 2013-11-12 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | FGFR1 Kinase Inhibitors: Close Regioisomers Adopt Divergent Binding Modes and Display Distinct Biophysical Signatures.
ACS Med Chem Lett, 5, 2014
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2C5W
 | | PENICILLIN-BINDING PROTEIN 1A (PBP-1A) ACYL-ENZYME COMPLEX (CEFOTAXIME) FROM STREPTOCOCCUS PNEUMONIAE | | Descriptor: | 1,2-ETHANEDIOL, CEFOTAXIME, C3' cleaved, ... | | Authors: | Contreras-Martel, C, Job, V, Di Guilmi, A.-M, Vernet, T, Dideberg, O, Dessen, A. | | Deposit date: | 2005-11-02 | | Release date: | 2005-12-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal Structure of Penicillin-Binding Protein 1A (Pbp1A) Reveals a Mutational Hotspot Implicated in Beta-Lactam Resistance in Streptococcus Pneumoniae.
J.Mol.Biol., 355, 2006
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5N1V
 | | Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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5WKB
 | | MicroED structure of the segment, NFGEFS, from the A315E familial variant of the low complexity domain of TDP-43, residues 312-317 | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Guenther, E.L, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2017-07-24 | | Release date: | 2018-05-23 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
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1XHY
 | | X-ray structure of the Y702F mutant of the GluR2 ligand-binding core (S1S2J) in complex with kainate at 1.85 A resolution | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor, SULFATE ION | | Authors: | Frandsen, A, Pickering, D.S, Vestergaard, B, Kasper, C, Nielsen, B.B, Greenwood, J.R, Campiani, G, Gajhede, M, Schousboe, A, Kastrup, J.S. | | Deposit date: | 2004-09-21 | | Release date: | 2005-03-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Tyr702 Is an Important Determinant of Agonist Binding and Domain Closure of the Ligand-Binding Core of GluR2.
Mol.Pharmacol., 67, 2005
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2CBS
 | | CELLULAR RETINOIC ACID BINDING PROTEIN II IN COMPLEX WITH A SYNTHETIC RETINOIC ACID (RO-13 6307) | | Descriptor: | 3-METHYL-7-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL) -OCTA-2,4,6-TRIENOIC ACID, PROTEIN (CRABP-II) | | Authors: | Chaudhuri, B, Kleywegt, G.J, Bergfors, T, Jones, T.A. | | Deposit date: | 1999-02-22 | | Release date: | 1999-12-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of cellular retinoic acid binding proteins I and II in complex with synthetic retinoids.
Acta Crystallogr.,Sect.D, 55, 1999
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5N20
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | | Descriptor: | B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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3BFU
 | | Structure of the ligand-binding core of GluR2 in complex with the agonist (R)-TDPA at 1.95 A resolution | | Descriptor: | (2R)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid, Glutamate receptor 2 | | Authors: | Beich-Frandsen, M, Mirza, O, Vestergaard, B, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2007-11-23 | | Release date: | 2008-10-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the ligand-binding core of iGluR2 in complex with the agonists (R)- and (S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propionic acid explain their unusual equipotency.
J.Med.Chem., 51, 2008
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1BLC
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5KO0
 | | Human Islet Amyloid Polypeptide Segment 15-FLVHSSNNFGA-25 Determined by MicroED | | Descriptor: | THIOCYANATE ION, hIAPP(15-25)WT | | Authors: | Krotee, P.A.L, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Shi, D, Nannenga, B.L, Hattne, J, Reyes, F.E, Gonen, T, Eisenberg, D.S. | | Deposit date: | 2016-06-28 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.4 Å) | | Cite: | Atomic structures of fibrillar segments of hIAPP suggest tightly mated beta-sheets are important for cytotoxicity.
Elife, 6, 2017
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3IXJ
 | | Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor | | Descriptor: | Beta-secretase 1, N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE, SULFATE ION | | Authors: | Borkakoti, N, Lindberg, J, Nystrom, S. | | Deposit date: | 2009-09-04 | | Release date: | 2010-03-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design and Synthesis of Potent and Selective BACE-1 Inhibitors.
J.Med.Chem., 53, 2010
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6XTU
 | | FULL-LENGTH LTTR LYSG FROM CORYNEBACTERIUM GLUTAMICUM | | Descriptor: | Lysine export transcriptional regulatory protein LysG | | Authors: | Hofmann, E, Syberg, F, Schlicker, C, Eggeling, L, Schendzielorz, G. | | Deposit date: | 2020-01-16 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Engineering and application of a biosensor with focused ligand specificity.
Nat Commun, 11, 2020
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1I7G
 | | CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN FROM HUMAN PPAR-ALPHA IN COMPLEX WITH THE AGONIST AZ 242 | | Descriptor: | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA, ... | | Authors: | Petersen, J.F.W, Cronet, P, Folmer, R, Blomberg, N, Sjoblom, K, Karlsson, U, Lindstedt, E.-L, Bamberg, K. | | Deposit date: | 2001-03-09 | | Release date: | 2002-03-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the PPARalpha and -gamma ligand binding domain in complex with AZ 242; ligand selectivity and agonist activation in the PPAR family.
Structure, 9, 2001
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3BA0
 | | Crystal structure of full-length human MMP-12 | | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | | Authors: | Bertini, I, Calderone, V, Fragai, M, Jaiswal, R, Luchinat, C, Melikian, M, Myonas, E, Svergun, D.I. | | Deposit date: | 2007-11-07 | | Release date: | 2008-07-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12.
J.Am.Chem.Soc., 130, 2008
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1I7I
 | | CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN OF HUMAN PPAR-GAMMA IN COMPLEX WITH THE AGONIST AZ 242 | | Descriptor: | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA | | Authors: | Petersen, J.F.W, Cronet, P, Folmer, R, Blomberg, N, Sjoblom, K, Karlsson, U, Lindstedt, E.-L, Bamberg, K. | | Deposit date: | 2001-03-09 | | Release date: | 2002-03-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of the PPARalpha and -gamma ligand binding domain in complex with AZ 242; ligand selectivity and agonist activation in the PPAR family.
Structure, 9, 2001
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2CBR
 | | CELLULAR RETINOIC ACID BINDING PROTEIN I IN COMPLEX WITH A RETINOBENZOIC ACID (AM80) | | Descriptor: | 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid, PROTEIN (CRABP-I) | | Authors: | Chaudhuri, B, Kleywegt, G.J, Bergfors, T, Jones, T.A. | | Deposit date: | 1999-02-22 | | Release date: | 1999-12-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of cellular retinoic acid binding proteins I and II in complex with synthetic retinoids.
Acta Crystallogr.,Sect.D, 55, 1999
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1NOY
 | | DNA POLYMERASE (E.C.2.7.7.7)/DNA COMPLEX | | Descriptor: | DNA (5'-D(*TP*TP*T)-3'), MANGANESE (II) ION, PROTEIN (DNA POLYMERASE (E.C.2.7.7.7)), ... | | Authors: | Wang, J, Yu, P, Lin, T.C, Konigsberg, W.H, Steitz, T.A. | | Deposit date: | 1996-02-16 | | Release date: | 1996-10-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of an NH2-terminal fragment of T4 DNA polymerase and its complexes with single-stranded DNA and with divalent metal ions.
Biochemistry, 35, 1996
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5MJQ
 | | Single-shot pink beam serial crystallography: Phycocyanin (One chip) | | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V, Sarrou, I. | | Deposit date: | 2016-12-01 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Pink-beam serial crystallography.
Nat Commun, 8, 2017
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2HJH
 | | Crystal Structure of the Sir2 deacetylase | | Descriptor: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE, NAD-dependent histone deacetylase SIR2, NICOTINAMIDE, ... | | Authors: | Hall, B.E, Ellenberger, T.E. | | Deposit date: | 2006-06-30 | | Release date: | 2008-04-08 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Autoregulation of the yeast Sir2 deacetylase by reaction and trapping of a pseudosubstrate motif in the active site
To be Published
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1ABA
 | | THE STRUCTURE OF OXIDIZED BACTERIOPHAGE T4 GLUTAREDOXIN (THIOREDOXIN). REFINEMENT OF NATIVE AND MUTANT PROTEINS | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTAREDOXIN | | Authors: | Eklund, H, Ingelman, M, Soderberg, B.-O, Uhlin, T, Nordlund, P, Nikkola, M, Sonnerstam, U, Joelson, T, Petratos, K. | | Deposit date: | 1992-04-24 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of oxidized bacteriophage T4 glutaredoxin (thioredoxin). Refinement of native and mutant proteins.
J.Mol.Biol., 228, 1992
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1AAZ
 | | THE STRUCTURE OF OXIDIZED BACTERIOPHAGE T4 GLUTAREDOXIN (THIOREDOXIN) | | Descriptor: | CADMIUM ION, GLUTAREDOXIN | | Authors: | Eklund, H, Ingelman, M, Soderberg, B.-O, Uhlin, T, Nordlund, P, Nikkola, M, Sonnerstam, U, Joelson, T, Petratos, K. | | Deposit date: | 1992-04-24 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of oxidized bacteriophage T4 glutaredoxin (thioredoxin). Refinement of native and mutant proteins.
J.Mol.Biol., 228, 1992
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4WFN
 | | Crystal structure of the large ribosomal subunit (50S) of Deinococcus radiodurans containing a three residue insertion in L22 in complex with erythromycin | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A. | | Deposit date: | 2014-09-16 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.54 Å) | | Cite: | The Ribosomal Protein uL22 Modulates the Shape of the Protein Exit Tunnel.
Structure, 25, 2017
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3KTX
 | | Crystal structure of Leishmania mexicana pyruvate kinase (LmPYK)in complex with 1,3,6,8-pyrenetetrasulfonic acid | | Descriptor: | GLYCEROL, Pyruvate kinase, pyrene-1,3,6,8-tetrasulfonic acid | | Authors: | Morgan, H.P, Walkinshaw, M.D. | | Deposit date: | 2009-11-26 | | Release date: | 2010-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An improved strategy for the crystallization of Leishmania mexicana pyruvate kinase.
Acta Crystallogr.,Sect.F, 66, 2010
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