4HM6
 
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3MK6
 | | Substrate and Inhibitor Binding to Pank | | Descriptor: | ACETYL COENZYME *A, GLYCEROL, Pantothenate kinase 3 | | Authors: | Yun, M.-K, White, S.W. | | Deposit date: | 2010-04-14 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Modulation of Pantothenate Kinase 3 Activity by Small Molecules that Interact with the Substrate/Allosteric Regulatory Domain.
Chem.Biol., 17, 2010
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4HWK
 | | Crystal structure of human sepiapterin reductase in complex with sulfapyridine | | Descriptor: | 4-amino-N-(pyridin-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Groenlund Pedersen, M, Pojer, F, Johnsson, K. | | Deposit date: | 2012-11-08 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs.
Science, 340, 2013
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3M22
 | | Crystal structure of TagRFP fluorescent protein | | Descriptor: | TagRFP | | Authors: | Malashkevich, V.N, Subach, O.M, Ramagopal, U.A, Almo, S.C, Verkhusha, V.V. | | Deposit date: | 2010-03-06 | | Release date: | 2010-05-12 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural characterization of acylimine-containing blue and red chromophores in mTagBFP and TagRFP fluorescent proteins.
Chem.Biol., 17, 2010
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1THZ
 | | Crystal Structure of Avian AICAR Transformylase in Complex with a Novel Inhibitor Identified by Virtual Ligand Screening | | Descriptor: | 2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID, Bifunctional purine biosynthesis protein PURH, POTASSIUM ION | | Authors: | Xu, L, Li, C, Olson, A.J, Wilson, I.A. | | Deposit date: | 2004-06-01 | | Release date: | 2004-09-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of avian aminoimidazole-4-carboxamide ribonucleotide transformylase in complex with a novel non-folate inhibitor identified by virtual ligand screening.
J.Biol.Chem., 279, 2004
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3O7S
 | | Crystal structure of Ru(p-cymene)/apo-Fr | | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-4-(1-methylethyl)benzene, CADMIUM ION, ... | | Authors: | Takezawa, Y, Bockmann, P, Sugi, N, Wang, Z, Abe, S, Murakami, T, Hikage, T, Erker, G, Watanabe, Y, Kitagawa, S, Ueno, T. | | Deposit date: | 2010-07-31 | | Release date: | 2011-04-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Incorporation of organometallic Ru complexes into apo-ferritin cage.
J.Chem.Soc.,Dalton Trans., 40, 2011
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2JKM
 | | Focal Adhesion Kinase catalytic domain in complex with bis-anilino pyrimidine inhibitor | | Descriptor: | 2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY-4-[(3R)-3-(METHYLAMINO)PYRROLIDIN-1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN-4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE, FOCAL ADHESION KINASE 1 | | Authors: | Lietha, D, Eck, M.J. | | Deposit date: | 2008-08-28 | | Release date: | 2008-09-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal Structures of the Fak Kinase in Complex with Tae226 and Related Bis-Anilino Pyrimidine Inhibitors Reveal a Helical Dfg Conformation.
Plos One, 3, 2008
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4HYS
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4HYU
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2I50
 | | Solution Structure of Ubp-M Znf-UBP domain | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 16, ZINC ION | | Authors: | Pai, M.-T. | | Deposit date: | 2006-08-23 | | Release date: | 2007-08-07 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Ubp-M BUZ domain, a highly specific protein module that recognizes the C-terminal tail of free ubiquitin.
J.Mol.Biol., 370, 2007
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3MOR
 | | Crystal structure of Cathepsin B from Trypanosoma Brucei | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ... | | Authors: | Cupelli, K, Stehle, T. | | Deposit date: | 2010-04-23 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | In vivo protein crystallization opens new routes in structural biology.
Nat.Methods, 9, 2012
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4INO
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3MNN
 | | A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core | | Descriptor: | 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane, 1-methyl-4-(1-methylethyl)benzene, DNA (145-MER), ... | | Authors: | Ong, M.S, Davey, C.A. | | Deposit date: | 2010-04-22 | | Release date: | 2011-04-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A ruthenium antimetastasis agent forms specific histone protein adducts in the nucleosome core
Chemistry, 17, 2011
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4IN4
 | | Crystal structure of cpd 15 bound to Keap1 Kelch domain | | Descriptor: | 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide, Kelch-like ECH-associated protein 1, PHOSPHATE ION | | Authors: | Silvian, L, Marcotte, D. | | Deposit date: | 2013-01-03 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Bioorg.Med.Chem., 21, 2013
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3MTR
 | | Crystal structure of the Ig5-FN1 tandem of human NCAM | | Descriptor: | Neural cell adhesion molecule 1, SULFATE ION | | Authors: | Lavie, A, Foley, D.A. | | Deposit date: | 2010-04-30 | | Release date: | 2010-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and mutagenesis of neural cell adhesion molecule domains: evidence for flexibility in the placement of polysialic acid attachment sites
J.Biol.Chem., 285, 2010
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3N2E
 | | Crystal structure of Helicobactor pylori shikimate kinase in complex with NSC162535 | | Descriptor: | 7-amino-4-hydroxy-3-[(E)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid, L(+)-TARTARIC ACID, Shikimate kinase | | Authors: | Cheng, W.C, Chen, T.J, Lin, S.C, Wang, W.C. | | Deposit date: | 2010-05-18 | | Release date: | 2011-05-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structures of Helicobacter pylori shikimate kinase reveal a selective inhibitor-induced-fit mechanism
Plos One, 7, 2012
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3N33
 | | Crystal structure of the N-terminal beta-aminopeptidase BapA in complex with pefabloc SC (AEBSF) | | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-peptidyl aminopeptidase, ... | | Authors: | Merz, T, Heck, T, Geueke, B, Kohler, H.-P, Gruetter, M.G. | | Deposit date: | 2010-05-19 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Autoproteolytic and catalytic mechanisms for the beta-aminopeptidase BapA--a member of the Ntn hydrolase family.
Structure, 20, 2012
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2HFZ
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4HGG
 | | Crystal structure of P450 BM3 5F5R heme domain variant complexed with styrene | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ... | | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2012-10-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
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3NCX
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3NFG
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1RPW
 | | Crystal Structure Of The Multidrug Binding Protein Qacr Bound To The Diamidine Hexamidine | | Descriptor: | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE, SULFATE ION, Transcriptional regulator qacR | | Authors: | Murray, D.S, Schumacher, M.A, Brennan, R.G. | | Deposit date: | 2003-12-03 | | Release date: | 2004-06-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of QacR-diamidine complexes reveal additional multidrug-binding modes and a novel mechanism of drug charge neutralization.
J.Biol.Chem., 279, 2004
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4HGF
 | | Crystal structure of P450 BM3 5F5K heme domain variant complexed with styrene | | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2012-10-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
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3N8Y
 | | Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac | | Descriptor: | 2-HYDROXYBENZOIC ACID, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sidhu, R.S. | | Deposit date: | 2010-05-28 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Comparison of Cyclooxygenase-1 Crystal Structures: Cross-Talk between Monomers Comprising Cyclooxygenase-1 Homodimers
Biochemistry, 49, 2010
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4HGH
 | | Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset I) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2012-10-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
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