2HA1
 
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1DVB
 | | RUBRERYTHRIN | | Descriptor: | FE (III) ION, RUBRERYTHRIN, ZINC ION | | Authors: | Sieker, L.C, Holmes, M, Le Trong, I, Turley, S, Liu, M.Y, Legall, J, Stenkamp, R.E. | | Deposit date: | 2000-01-20 | | Release date: | 2000-11-17 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The 1.9 A crystal structure of the "as isolated" rubrerythrin from Desulfovibrio vulgaris: some surprising results.
J.Biol.Inorg.Chem., 5, 2000
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2HNY
 | | Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | | Deposit date: | 2006-07-13 | | Release date: | 2006-09-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138.
Febs J., 273, 2006
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6FSX
 | | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography | | Descriptor: | Fluoroacetate dehalogenase | | Authors: | Schulz, E.C, Mehrabi, P, Mueller-werkmeiser, H, Tellkamp, F, Jha, A, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E, Miller, D. | | Deposit date: | 2018-02-20 | | Release date: | 2018-10-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
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2HND
 | | Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | | Deposit date: | 2006-07-12 | | Release date: | 2006-09-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138.
Febs J., 273, 2006
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6GQQ
 | | Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35) | | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | | Deposit date: | 2018-06-07 | | Release date: | 2018-09-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
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3EJC
 | | Full length Receptor Binding Protein from Lactococcal phage TP901-1 | | Descriptor: | Baseplate protein (BPP) | | Authors: | Spinelli, S, Lichiere, J, Blangy, S, Sciara, G, Cambillau, C, Campanacci, V. | | Deposit date: | 2008-09-18 | | Release date: | 2009-10-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and molecular assignment of lactococcal phage TP901-1 baseplate.
J.Biol.Chem., 285, 2010
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6GXF
 | | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: RADDAM1 | | Descriptor: | Fluoroacetate dehalogenase | | Authors: | Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D. | | Deposit date: | 2018-06-27 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
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3DN4
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1ERH
 | | THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE EXTRACELLULAR REGION OF THE COMPLEMENT REGULATORY PROTEIN, CD59, A NEW CELL SURFACE PROTEIN DOMAIN RELATED TO NEUROTOXINS | | Descriptor: | CD59 | | Authors: | Kieffer, B, Driscoll, P.C, Campbell, I.D, Willis, A.C, Van Der Merwe, P.A, Davis, S.J. | | Deposit date: | 1993-12-13 | | Release date: | 1994-04-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of the extracellular region of the complement regulatory protein CD59, a new cell-surface protein domain related to snake venom neurotoxins.
Biochemistry, 33, 1994
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2I2J
 | | NMR structure of UA159sp in TFE | | Descriptor: | Competence stimulating peptide | | Authors: | Syvitski, R.T, Jakeman, D.L, Li, Y. | | Deposit date: | 2006-08-16 | | Release date: | 2006-10-17 | | Last modified: | 2020-03-04 | | Method: | SOLUTION NMR | | Cite: | Structure-Activity Analysis of Quorum-Sensing Signaling Peptides from Streptococcus mutans.
J.Bacteriol., 189, 2007
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3DN0
 | | Pentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant | | Descriptor: | 1,2,3,4,5-pentafluorobenzene, 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ... | | Authors: | Liu, L, Matthews, B.W. | | Deposit date: | 2008-07-01 | | Release date: | 2008-11-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
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1CBO
 | | CHOLESTEROL OXIDASE FROM STREPTOMYCES HIS447ASN MUTANT | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PROTEIN (CHOLESTEROL OXIDASE) | | Authors: | Vrielink, A, Yue, Q.K. | | Deposit date: | 1999-02-26 | | Release date: | 1999-03-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure determination of cholesterol oxidase from Streptomyces and structural characterization of key active site mutants.
Biochemistry, 38, 1999
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2FIB
 | | RECOMBINANT HUMAN GAMMA-FIBRINOGEN CARBOXYL TERMINAL FRAGMENT (RESIDUES 143-411) COMPLEXED TO THE PEPTIDE GLY-PRO-ARG-PRO AT PH 6.0 | | Descriptor: | CALCIUM ION, FIBRINOGEN, GLY-PRO-ARG-PRO | | Authors: | Pratt, K.P, Cote, H.C.F, Chung, D.W, Stenkamp, R.E, Davie, E.W. | | Deposit date: | 1997-06-03 | | Release date: | 1997-10-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The primary fibrin polymerization pocket: three-dimensional structure of a 30-kDa C-terminal gamma chain fragment complexed with the peptide Gly-Pro-Arg-Pro.
Proc.Natl.Acad.Sci.USA, 94, 1997
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1DJ9
 | | CRYSTAL STRUCTURE OF 8-AMINO-7-OXONANOATE SYNTHASE (OR 7-KETO-8AMINIPELARGONATE OR KAPA SYNTHASE) COMPLEXED WITH PLP AND THE PRODUCT 8(S)-AMINO-7-OXONANONOATE (OR KAPA). THE ENZYME OF BIOTIN BIOSYNTHETIC PATHWAY. | | Descriptor: | 8-AMINO-7-OXONONANOATE SYNTHASE, MAGNESIUM ION, N-[7-KETO-8-AMINOPELARGONIC ACID]-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | Authors: | Webster, S.P, Alexeev, D, Campopiano, D.J, Watt, R.M, Alexeeva, M, Sawyer, L, Baxter, R.L. | | Deposit date: | 1999-12-02 | | Release date: | 2000-12-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism of 8-amino-7-oxononanoate synthase: spectroscopic, kinetic, and crystallographic studies.
Biochemistry, 39, 2000
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1DF8
 | | S45A MUTANT OF STREPTAVIDIN IN COMPLEX WITH BIOTIN | | Descriptor: | BIOTIN, PROTEIN (STREPTAVIDIN) | | Authors: | Hyre, D.E, Le Trong, I, Freitag, S, Stenkamp, R.E, Stayton, P.S. | | Deposit date: | 1999-11-18 | | Release date: | 2000-09-20 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Ser45 plays an important role in managing both the equilibrium and transition state energetics of the streptavidin-biotin system.
Protein Sci., 9, 2000
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3BOW
 | | Structure of M-calpain in complex with Calpastatin | | Descriptor: | CALCIUM ION, Calpain small subunit 1, Calpain-2 catalytic subunit, ... | | Authors: | Hanna, R.A, Campbell, R.L, Davies, P.L. | | Deposit date: | 2007-12-17 | | Release date: | 2008-11-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Calcium-bound structure of calpain and its mechanism of inhibition by calpastatin.
Nature, 456, 2008
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2GSJ
 | | cDNA cloning and 1.75A crystal structure determination of PPL2, a novel chimerolectin from Parkia platycephala seeds exhibiting endochitinolytic activity | | Descriptor: | SULFATE ION, protein PPL-2 | | Authors: | Cavada, B.S, Moreno, F.B, da Rocha, B.A, de Azevedo Jr, W.F, Castellon, R.E.R, Goersch, G.V, Nagano, C.S, de Souza, E.P, Nascimento, K.S, Radis-Baptista, G, Delatorre, P, Leroy, Y, Toyama, M.H, Pinto, V.P, Sampaio, A.H, Barettino, D, Debray, H, Calvete, J.J, Sanz, L. | | Deposit date: | 2006-04-26 | | Release date: | 2007-03-13 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | cDNA cloning and 1.75 A crystal structure determination of PPL2, an endochitinase and N-acetylglucosamine-binding hemagglutinin from Parkia platycephala seeds
Febs J., 273, 2006
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1EPV
 | | ALANINE RACEMASE WITH BOUND INHIBITOR DERIVED FROM D-CYCLOSERINE | | Descriptor: | ALANINE RACEMASE, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE | | Authors: | Fenn, T.D, Stamper, G.F, Morollo, A.A, Ringe, D. | | Deposit date: | 2000-03-29 | | Release date: | 2003-01-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A side reaction of alanine racemase: transamination of cycloserine.
Biochemistry, 42, 2003
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3H3X
 | | Structure of the V74M large subunit mutant of NI-FE hydrogenase in an oxidized state | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Volbeda, A, Martinez, N, Martin, L, Fontecilla-Camps, J.C. | | Deposit date: | 2009-04-17 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Introduction of methionines in the gas channel makes [NiFe] hydrogenase aero-tolerant
J.Am.Chem.Soc., 131, 2009
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3C7F
 | | Crystal structure of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase from bacillus subtilis in complex with xylotriose. | | Descriptor: | CALCIUM ION, Endo-1,4-beta-xylanase, FORMIC ACID, ... | | Authors: | Vandermarliere, E, Bourgois, T.M, Winn, M.D, Van Campenhout, S, Volckaert, G, Strelkov, S.V, Delcour, J.A, Rabijns, A, Courtin, C.M. | | Deposit date: | 2008-02-07 | | Release date: | 2008-11-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural analysis of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase in complex with xylotetraose reveals a different binding mechanism compared with other members of the same family.
Biochem.J., 418, 2009
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3BWY
 | | Crystal Structure of Human 108M Catechol O-methyltransferase bound with S-adenosylmethionine and inhibitor dinitrocatechol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3,5-DINITROCATECHOL, COMT protein, ... | | Authors: | Rutherford, K, Le Trong, I, Stenkamp, R.E, Parson, W.W. | | Deposit date: | 2008-01-10 | | Release date: | 2008-06-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structures of human 108V and 108M catechol O-methyltransferase.
J.Mol.Biol., 380, 2008
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2I2H
 | | NMR structure of TPC3 in TFE | | Descriptor: | signaling peptide TCP3 | | Authors: | Syvitski, R.T, Jakeman, D.L, Li, Y. | | Deposit date: | 2006-08-16 | | Release date: | 2006-10-17 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Structure-Activity Analysis of Quorum-Sensing Signaling Peptides from Streptococcus mutans.
J.Bacteriol., 189, 2007
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1EV4
 | | RAT GLUTATHIONE S-TRANSFERASE A1-1: MUTANT W21F/F220Y WITH GSO3 BOUND | | Descriptor: | GLUTATHIONE S-TRANSFERASE A1-1, GLUTATHIONE SULFONIC ACID, SULFATE ION | | Authors: | Adman, E.T, Le Trong, I, Stenkamp, R.E, Nieslanik, B.S, Dietze, E.C, Tai, G, Ibarra, C, Atkins, W.M. | | Deposit date: | 2000-04-19 | | Release date: | 2001-02-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Localization of the C-terminus of rat glutathione S-transferase A1-1: crystal structure of mutants W21F and W21F/F220Y.
Proteins, 42, 2001
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2I37
 | | Crystal structure of a photoactivated rhodopsin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Rhodopsin, ... | | Authors: | Lodowski, D.T, Stenkamp, R.E, Salom, D, Le Trong, I, Palczewski, K. | | Deposit date: | 2006-08-17 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (4.15 Å) | | Cite: | Crystal structure of a photoactivated deprotonated intermediate of rhodopsin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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