3CCZ
 
 | | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | | Descriptor: | (3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | | Deposit date: | 2008-02-26 | | Release date: | 2008-06-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
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3CD5
 | | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | | Descriptor: | (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | | Deposit date: | 2008-02-26 | | Release date: | 2008-06-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
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1LWI
 | | 3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE FROM RATTUS NORVEGICUS | | Descriptor: | 3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Bennett, M.J, Schlegel, B.P, Jez, J.M, Penning, T.M, Lewis, M. | | Deposit date: | 1996-02-24 | | Release date: | 1996-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase complexed with NADP+.
Biochemistry, 35, 1996
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1M23
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1M26
 | | Crystal structure of jacalin-T-antigen complex | | Descriptor: | Jacalin, alpha chain, beta chain, ... | | Authors: | Jeyaprakash, A.A, Rani, P.G, Reddy, G.B, Banumathi, S, Betzel, C, Surolia, A, Vijayan, M. | | Deposit date: | 2002-06-21 | | Release date: | 2002-10-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystal structure of the jacalin-T-antigen complex and a
comparative study of lectin-T-antigen complexs
J.Mol.Biol., 321, 2002
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3BUA
 | | Crystal Structure of TRF2 TRFH domain and APOLLO peptide complex | | Descriptor: | DNA cross-link repair 1B protein, Telomeric repeat-binding factor 2 | | Authors: | Chen, Y, Yang, Y, van Overbeek, M, Donigian, J.R, Baciu, P, de Lange, T, Lei, M. | | Deposit date: | 2008-01-02 | | Release date: | 2008-02-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A shared docking motif in TRF1 and TRF2 used for differential recruitment of telomeric proteins.
Science, 319, 2008
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3BXU
 | | PpcB, A Cytochrome c7 from Geobacter sulfurreducens | | Descriptor: | Cytochrome c3, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Pokkuluri, P.R, Schiffer, M. | | Deposit date: | 2008-01-14 | | Release date: | 2008-07-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural insights into the modulation of the redox properties of two Geobacter sulfurreducens homologous triheme cytochromes.
Biochim.Biophys.Acta, 1777, 2008
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3CBJ
 | | Chagasin-Cathepsin B complex | | Descriptor: | Cathepsin B, Chagasin, PHOSPHATE ION | | Authors: | Redzynia, I, Bujacz, G.D, Abrahamson, M, Ljunggren, A, Jaskolski, M, Mort, J.S. | | Deposit date: | 2008-02-22 | | Release date: | 2008-05-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Displacement of the occluding loop by the parasite protein, chagasin, results in efficient inhibition of human cathepsin B.
J.Biol.Chem., 283, 2008
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3C5I
 | | Crystal structure of Plasmodium knowlesi choline kinase, PKH_134520 | | Descriptor: | CALCIUM ION, CHOLINE ION, Choline kinase, ... | | Authors: | Wernimont, A.K, Hills, T, Lew, J, Wasney, G, Senesterra, G, Kozieradzki, I, Cossar, D, Vedadi, M, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-01-31 | | Release date: | 2008-02-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Plasmodium knowlesi choline kinase, PKH_134520.
To be Published
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1M78
 | | CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE (GW1225) | | Descriptor: | 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | | Deposit date: | 2002-07-19 | | Release date: | 2003-03-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex.
J.Biol.Chem., 272, 1997
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3CE0
 | | Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor PJ34 | | Descriptor: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Poly [ADP-ribose] polymerase 3 | | Authors: | Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-02-27 | | Release date: | 2008-03-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
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1M7L
 | | Solution Structure of the Coiled-Coil Trimerization Domain from Lung Surfactant Protein D | | Descriptor: | Pulmonary surfactant-associated protein D | | Authors: | Kovacs, H, O'Donoghue, S.I, Hoppe, H.-J, Comfort, D, Reid, K.B.M, Campbell, I.D, Nilges, M. | | Deposit date: | 2002-07-22 | | Release date: | 2002-11-27 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the coiled-coil trimerization domain from lung surfactant protein D
J.BIOMOL.NMR, 24, 2002
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1M7A
 | | CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 7-[2-methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-f] quinazoline-1,3-diamine (GW557) | | Descriptor: | 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | | Deposit date: | 2002-07-19 | | Release date: | 2003-03-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex.
J.Biol.Chem., 272, 1997
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1M8C
 | | SOLUTION STRUCTURE OF THE T State OF TURKEY OVOMUCOID AT PH 2.5 | | Descriptor: | Ovomucoid | | Authors: | Song, J, Laskowski Jr, M, Qasim, M.A, Markley, J.L. | | Deposit date: | 2002-07-24 | | Release date: | 2002-09-04 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Two conformational states of Turkey ovomucoid third domain at low pH: three-dimensional structures, internal dynamics, and interconversion kinetics and thermodynamics.
Biochemistry, 42, 2003
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2Q2H
 | | Crystal structure of the protein secretion chaperone CsaA from Agrobacterium tumefaciens with a genetically fused phage-display derived peptide substrate at the N-terminus. | | Descriptor: | ACETATE ION, CITRIC ACID, Secretion chaperone, ... | | Authors: | Feldman, A.R, Shapova, Y.A, Paetzel, M. | | Deposit date: | 2007-05-28 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Phage display and crystallographic analysis reveals potential substrate/binding site interactions in the protein secretion chaperone CsaA from Agrobacterium tumefaciens.
J.Mol.Biol., 379, 2008
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1MFB
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2MSS
 | | MUSASHI1 RBD2, NMR | | Descriptor: | PROTEIN (MUSASHI1) | | Authors: | Nagata, T, Kanno, R, Kurihara, Y, Uesugi, S, Imai, T, Sakakibara, S, Okano, H, Katahira, M. | | Deposit date: | 1999-05-19 | | Release date: | 2000-05-19 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structure, backbone dynamics and interactions with RNA of the C-terminal RNA-binding domain of a mouse neural RNA-binding protein, Musashi1.
J.Mol.Biol., 287, 1999
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2MX8
 | | NMR structure of N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 7.2 | | Descriptor: | Minor ampullate spidroin | | Authors: | Otikovs, M, Jaudzems, K, Chen, G, Nordling, K, Rising, A, Johansson, J. | | Deposit date: | 2014-12-17 | | Release date: | 2015-08-19 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | Diversified Structural Basis of a Conserved Molecular Mechanism for pH-Dependent Dimerization in Spider Silk N-Terminal Domains.
Chembiochem, 16, 2015
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3C79
 | | Crystal structure of Aplysia californica AChBP in complex with the neonicotinoid imidacloprid | | Descriptor: | (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor | | Authors: | Talley, T.T, Harel, M, Hibbs, R.E, Tomizawa, M, Casida, J.E, Taylor, P.W. | | Deposit date: | 2008-02-06 | | Release date: | 2008-05-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3C49
 | | Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor KU0058948 | | Descriptor: | 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one, Poly(ADP-ribose) polymerase 3 | | Authors: | Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-01-29 | | Release date: | 2008-02-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
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3C4H
 | | Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor DR2313 | | Descriptor: | 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Poly(ADP-ribose) polymerase 3 | | Authors: | Lehtio, L, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-01-30 | | Release date: | 2008-02-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
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2MV8
 | | Solution structure of Ovis Aries PrP with mutation delta190-197 | | Descriptor: | Major prion protein | | Authors: | Munoz, C, Egalon, A, Beringue, V, Rezaei, H, Dron, M, Sizun, C. | | Deposit date: | 2014-09-25 | | Release date: | 2015-10-07 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | Generating Bona Fide Mammalian Prions with Internal Deletions.
J.Virol., 90, 2016
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2MV3
 | | The N-domain of the AAA metalloproteinase Yme1 from Saccharomyces cerevisiae | | Descriptor: | Mitochondrial inner membrane i-AAA protease supercomplex subunit YME1 | | Authors: | Scharfenberg, F, Serek-Heuberger, J, Martin, J, Lupas, A.N, Coles, M. | | Deposit date: | 2014-09-22 | | Release date: | 2015-01-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure and Evolution of N-domains in AAA Metalloproteases.
J.Mol.Biol., 427, 2015
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2MUZ
 | | ssNMR structure of a designed rocker protein | | Descriptor: | designed rocker protein | | Authors: | Wang, T, Joh, N, Wu, Y, DeGrado, W.F, Hong, M. | | Deposit date: | 2014-09-18 | | Release date: | 2014-12-24 | | Last modified: | 2015-01-14 | | Method: | SOLUTION NMR | | Cite: | De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
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2MV4
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