1H70
 
 | | DDAH FROM PSEUDOMONAS AERUGINOSA. C249S MUTANT COMPLEXED WITH CITRULLINE | | Descriptor: | CITRULLINE, NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE | | Authors: | Murray-Rust, J, Leiper, J, McAlister, M, Phelan, J, Tilley, S, Santamaria, J, Vallance, P, McDonald, N. | | Deposit date: | 2001-06-30 | | Release date: | 2001-08-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the hydrolysis of cellular nitric oxide synthase inhibitors by dimethylarginine dimethylaminohydrolase.
Nat. Struct. Biol., 8, 2001
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1LCM
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3P1E
 | | Crystal structure of the bromodomain of human CREBBP in complex with dimethyl sulfoxide (DMSO) | | Descriptor: | CREB-binding protein, DIMETHYL SULFOXIDE, POTASSIUM ION, ... | | Authors: | Filippakopoulos, P, Picaud, S, Feletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-30 | | Release date: | 2010-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the bromodomain of human CREBBP in complex with dimethyl sulfoxide (DMSO)
To be Published
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4H52
 | | Wild-type influenza N2 neuraminidase covalent complex with 3-fluoro-Neu5Ac | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CALCIUM ION, ... | | Authors: | Vavricka, C.J, Liu, Y, Kiyota, H, Sriwilaijaroen, N, Qi, J, Tanaka, K, Wu, Y, Li, Q, Li, Y, Yan, J, Suzuki, Y, Gao, G.F. | | Deposit date: | 2012-09-18 | | Release date: | 2013-02-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Influenza neuraminidase operates via a nucleophilic mechanism and can be targeted by covalent inhibitors
Nat Commun, 4, 2013
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4GRF
 | | Crystal structure of thioredoxin domain of thiol-disulfide oxidoreductase BVU-2223 (Target EFI-501010) from Bacteroides vulgatus | | Descriptor: | CHLORIDE ION, GLUTATHIONE, Putative thiol-disulfide oxidoreductase, ... | | Authors: | Patskovsky, Y, Sampathkumar, P, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Imker, H.J, Hammonds, J, Al-Obaidi, N.F, Stead, M, Love, J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-08-24 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structure of thioredoxin domain of thiol-disulfide oxidoreductase BVU-2223 from Bacteroides vulgatus
To be Published
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1UOM
 | | The Structure of Estrogen Receptor in Complex with a Selective and Potent Tetrahydroisochiolin Ligand. | | Descriptor: | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL, ESTROGEN RECEPTOR | | Authors: | Stark, W, Bischoff, S.F, Buhl, T, Fournier, B, Halleux, C, Kallen, J, Keller, H, Renaud, J. | | Deposit date: | 2003-04-11 | | Release date: | 2003-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Estrogen Receptor Modulators: Identification and Structure-Activity Relationships of Potent Eralpha-Selective Tetrahydroisoquinoline Ligands
J.Med.Chem., 46, 2003
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1UMY
 | | BHMT from rat liver | | Descriptor: | BETA-MERCAPTOETHANOL, Betaine--homocysteine S-methyltransferase 1, ZINC ION | | Authors: | Gonzalez, B, Pajares, M.A, Sanz-Aparicio, J. | | Deposit date: | 2003-09-02 | | Release date: | 2004-05-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of rat liver betaine homocysteine s-methyltransferase reveals new oligomerization features and conformational changes upon substrate binding.
J. Mol. Biol., 338, 2004
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1ZK3
 | | Triclinic crystal structure of the apo-form of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis | | Descriptor: | MAGNESIUM ION, R-specific alcohol dehydrogenase | | Authors: | Schlieben, N.H, Niefind, K, Muller, J, Riebel, B, Hummel, W, Schomburg, D. | | Deposit date: | 2005-05-02 | | Release date: | 2005-06-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Atomic Resolution Structures of R-specific Alcohol Dehydrogenase from Lactobacillus brevis Provide the Structural Bases of its Substrate and Cosubstrate Specificity
J.Mol.Biol., 349, 2005
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3S6B
 | | Crystal structure of methionine aminopeptidase 1b from Plasmodium Falciparum, PF10_0150 | | Descriptor: | FE (III) ION, GLYCEROL, Methionine aminopeptidase | | Authors: | Wernimont, A.K, Artz, J.D, Crombet, L, Lew, J, Weadge, J, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-05-25 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of methionine aminopeptidase 1b from Plasmodium Falciparum, PF10_0150
To be Published
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3CE7
 | | Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510 | | Descriptor: | Specific mitochondrial acyl carrier protein | | Authors: | Wernimont, A.K, Dong, A, Yang, C, Khuu, C, Lam, A, Brand, V, Kozieradzki, I, Cossar, D, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-02-28 | | Release date: | 2008-03-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510.
To be Published
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3P2P
 | | ENHANCED ACTIVITY AND ALTERED SPECIFICITY OF PHOSPHOLIPASE A2 BY DELETION OF A SURFACE LOOP | | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | | Authors: | Dijkstra, B.W, Thunnissen, M.M.G.M, Kalk, K.H, Drenth, J. | | Deposit date: | 1989-11-29 | | Release date: | 1990-01-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Enhanced activity and altered specificity of phospholipase A2 by deletion of a surface loop.
Science, 244, 1989
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2AAE
 | | THE ROLE OF HISTIDINE-40 IN RIBONUCLEASE T1 CATALYSIS: THREE-DIMENSIONAL STRUCTURES OF THE PARTIALLY ACTIVE HIS40LYS MUTANT | | Descriptor: | CALCIUM ION, PHOSPHATE ION, RIBONUCLEASE T1 | | Authors: | Zegers, I, Verhelst, P, Choe, C.W, Steyaert, J, Heinemann, U, Wyns, L, Saenger, W. | | Deposit date: | 1992-09-15 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of histidine-40 in ribonuclease T1 catalysis: three-dimensionalstructures of the partially active His40Lys mutant.
Biochemistry, 31, 1992
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3AGM
 | | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-670 | | Descriptor: | N~2~-{8-OXO-8-[4-(9H-PURIN-6-YL)PIPERAZIN-1-YL]OCTANOYL}-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGININAMIDE, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A. | | Deposit date: | 2010-04-02 | | Release date: | 2010-09-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions.
J.Mol.Biol., 403, 2010
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4JR5
 | | Structure-based Identification of Ureas as Novel Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Gunzner-Toste, J, Zhao, G, Yuen, P, Bair, K.W. | | Deposit date: | 2013-03-21 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.906 Å) | | Cite: | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
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3CLV
 | | Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Rab5 protein, ... | | Authors: | Chattopadhyay, D, Wernimont, A.K, Langsley, G, Lew, J, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Sukumar, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-03-20 | | Release date: | 2008-07-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c
To be Published
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4JU0
 | | Crystal structure of 2009 pandemic influenza virus hemagglutinin mutant D225E complexed with human receptor analogue LSTc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Zhang, W, Shi, Y, Qi, J, Gao, F, Li, Q, Fan, Z, Yan, J, Gao, G.F. | | Deposit date: | 2013-03-24 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.908 Å) | | Cite: | Molecular basis of the receptor binding specificity switch of the hemagglutinins from both the 1918 and 2009 pandemic influenza A viruses by a D225G substitution
J.Virol., 87, 2013
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4J80
 | | Thermus thermophilus DnaJ | | Descriptor: | Chaperone protein DnaJ 2 | | Authors: | Barends, T.R.M, Brosi, R.W, Steinmetz, A, Scherer, A, Hartmann, E, Eschenbach, J, Lorenz, T, Seidel, R, Shoeman, R, Zimmermann, S, Bittl, R, Schlichting, I, Reinstein, J. | | Deposit date: | 2013-02-14 | | Release date: | 2013-07-31 | | Last modified: | 2013-10-09 | | Method: | EPR (2.9 Å), X-RAY DIFFRACTION | | Cite: | Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ.
Acta Crystallogr.,Sect.D, 69, 2013
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4JVU
 | | IgM C2-domain from mouse | | Descriptor: | Ig mu chain C region membrane-bound form | | Authors: | Mueller, R, Graewert, A.M, Kern, T, Madl, T, Peschek, J, Sattler, M, Groll, M, Buchner, J. | | Deposit date: | 2013-03-26 | | Release date: | 2013-06-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High-resolution structures of the IgM Fc domains reveal principles of its hexamer formation.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1LRA
 | | CRYSTALLOGRAPHIC STUDY OF GLU 58 ALA RNASE T1(ASTERISK)2'-GUANOSINE MONOPHOSPHATE AT 1.9 ANGSTROMS RESOLUTION | | Descriptor: | GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1, SODIUM ION | | Authors: | Pletinckx, J, Steyaert, J, Choe, H.-W, Heinemann, U, Wyns, L. | | Deposit date: | 1993-10-01 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic study of Glu58Ala RNase T1 x 2'-guanosine monophosphate at 1.9-A resolution.
Biochemistry, 33, 1994
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4J9X
 | | Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with trans-4-hydroxy-l-proline | | Descriptor: | 4-HYDROXYPROLINE, Proline racemase family protein, SODIUM ION | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-02-17 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with trans-4-hydroxy-l-proline
To be Published
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4JDP
 | | Crystal structure of probable p-nitrophenyl phosphatase (pho2) (target EFI-501307) from Archaeoglobus fulgidus DSM 4304 with Magnesium bound | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, p-nitrophenyl phosphatase (Pho2) | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Allen, K.N, Dunaway-Mariano, D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-02-25 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal structure of probable p-nitrophenyl phosphatase from Archaeoglobus fulgidus.
To be Published
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4J71
 | | Crystal Structure of GSK3b in complex with inhibitor 1R | | Descriptor: | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ... | | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-12 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
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3CAF
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2HKF
 | | Crystal structure of the Complex Fab M75- Peptide | | Descriptor: | Carbonic anhydrase 9, Immunoglobulin Heavy chain Fab fragment, Immunoglobulin Light chain Fab fragment | | Authors: | Kral, V, Mader, P, Stouracova, R, Fabry, M, Horejsi, M, Brynda, J. | | Deposit date: | 2006-07-04 | | Release date: | 2007-11-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Stabilization of antibody structure upon association to a human carbonic anhydrase IX epitope studied by X-ray crystallography, microcalorimetry, and molecular dynamics simulations.
Proteins, 71, 2008
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3BLM
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