4B1R
 
 | |
2A35
 | | 1.5 A Crystal Structure of a Protein of Unknown Function PA4017 from Pseudomonas aeruginosa PAO1, Possible Epimerase | | Descriptor: | hypothetical protein PA4017 | | Authors: | Zhang, R, Xu, L, Cuff, M, Savchenko, A, Cymborowski, M, Minor, W, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-06-23 | | Release date: | 2005-08-09 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 1.5A crystal structure of a hypothetical protein PA4017 from
Pseudomonas aeruginosa PAO1
To be Published
|
|
4AX7
 | | Hypocrea jecorina Cel6A D221A mutant soaked with 4-Methylumbelliferyl- beta-D-cellobioside | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-hydroxy-4-methyl-2H-chromen-2-one, EXOGLUCANASE 2, ... | | Authors: | Wu, M, Nerinckx, W, Piens, K, Ishida, T, Hansson, H, Stahlberg, J, Sandgren, M. | | Deposit date: | 2012-06-11 | | Release date: | 2013-01-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rational Design, Synthesis, Evaluation and Enzyme-Substrate Structures of Improved Fluorogenic Substrates for Family 6 Glycoside Hydrolases.
FEBS J., 280, 2013
|
|
1M52
 | | Crystal Structure of the c-Abl Kinase domain in complex with PD173955 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1 | | Authors: | Nagar, B, Bornmann, W, Pellicena, P, Schindler, T, Veach, D, Miller, W.T, Clarkson, B, Kuriyan, J. | | Deposit date: | 2002-07-08 | | Release date: | 2002-09-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structures of the Kinase Domain of c-Abl in Complex with the Small Molecule Inhibitors PD173955 and Imatinib (STI-571)
Cancer Res., 62, 2002
|
|
1ONN
 | | IspC apo structure | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | | Authors: | Steinbacher, S, Kaiser, J, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F. | | Deposit date: | 2003-02-28 | | Release date: | 2003-03-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of fosmidomycin action revealed by the complex with 2-C-methyl-D-erythritol
4-phosphate synthase (IspC). Implications for the catalytic mechanism and anti-malaria
drug development.
J.BIOL.CHEM., 278, 2003
|
|
4AZ0
 | | crystal structure of cathepsin a, complexed with 8a. | | Descriptor: | (S)-3-{[1-(2-Fluoro-phenyl)-5-hydroxy-1H-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | | Authors: | Ruf, S, Buning, C, Schreuder, H, Horstick, G, Linz, W, Olpp, T, Pernerstorfer, J, Hiss, K, Kroll, K, Kannt, A, Kohlmann, M, Linz, D, Huebschle, T, Ruetten, H, Wirth, K, Schmidt, T, Sadowski, T. | | Deposit date: | 2012-06-22 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A.
J.Med.Chem., 55, 2012
|
|
1OP8
 | | Crystal Structure of Human Granzyme A | | Descriptor: | Granzyme A, SULFATE ION | | Authors: | Hink-Schauer, C, Estebanez-Perpina, E, Bode, W, Jenne, D. | | Deposit date: | 2003-03-05 | | Release date: | 2003-07-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the apoptosis-inducing human granzyme A dimer
NAT.STRUCT.BIOL., 10, 2003
|
|
2AAW
 | | Studies on ligand binding and enzyme inhibition of Plasmodium falciparum glutathione S-transferase | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, L-TREITOL, S-HEXYLGLUTATHIONE, ... | | Authors: | Hiller, N, Fritz-Wolf, K, Deponte, M, Wende, W, Zimmermann, H, Becker, K. | | Deposit date: | 2005-07-14 | | Release date: | 2006-01-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Plasmodium falciparum glutathione S-transferase--structural and mechanistic studies on ligand binding and enzyme inhibition.
Protein Sci., 15, 2006
|
|
1OWD
 | | Substituted 2-Naphthamidine inhibitors of urokinase | | Descriptor: | 6-[AMINO(IMINO)METHYL]-N-[(4R)-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL]-2-NAPHTHAMIDE, Urokinase-type plasminogen activator | | Authors: | Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L. | | Deposit date: | 2003-03-28 | | Release date: | 2003-09-30 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
|
|
4AU0
 | | Hypocrea jecorina Cel6A D221A mutant soaked with 6-chloro-4- methylumbelliferyl-beta-cellobioside | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one, EXOGLUCANASE 2, ... | | Authors: | Wu, M, Nerinckx, W, Piens, K, Ishida, T, Hansson, H, Stahlberg, J, Sandgren, M. | | Deposit date: | 2012-05-11 | | Release date: | 2013-01-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rational Design, Synthesis, Evaluation and Enzyme-Substrate Structures of Improved Fluorogenic Substrates for Family 6 Glycoside Hydrolases.
FEBS J., 280, 2013
|
|
2AFD
 | | Solution Structure of Asl1650, an Acyl Carrier Protein from Anabaena sp. PCC 7120 with a Variant Phosphopantetheinylation-Site Sequence | | Descriptor: | protein Asl1650 | | Authors: | Johnson, M.A, Peti, W, Herrmann, T, Wilson, I.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2005-07-25 | | Release date: | 2005-08-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Asl1650, an acyl carrier protein from Anabaena sp. PCC 7120 with a variant phosphopantetheinylation-site sequence
Protein Sci., 15, 2006
|
|
4B3A
 | | Tetracycline repressor class D mutant H100A in complex with tetracycline | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, TETRACYCLINE, ... | | Authors: | Eltschkner, S, Schindler, S, Palm, G.J, Schneider, J, Hinrichs, W. | | Deposit date: | 2012-07-23 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding.
Biochim Biophys Acta Proteins Proteom, 1868, 2020
|
|
2A0W
 | | Structure of human purine nucleoside phosphorylase H257G mutant | | Descriptor: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION | | Authors: | Murkin, A.S, Shi, W, Schramm, V.L. | | Deposit date: | 2005-06-17 | | Release date: | 2006-06-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Neighboring group participation in the transition state of human purine nucleoside phosphorylase.
Biochemistry, 46, 2007
|
|
4AZ4
 | |
2A83
 | | Crystal structure of hla-b*2705 complexed with the glucagon receptor (gr) peptide (residues 412-420) | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Ruckert, C, Fiorillo, M.T, Loll, B, Moretti, R, Biesiadka, J, Saenger, W, Ziegler, A, Sorrentino, R, Uchanska-Ziegler, B. | | Deposit date: | 2005-07-07 | | Release date: | 2005-12-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Conformational dimorphism of self-peptides and molecular mimicry in a disease-associated HLA-B27 subtype.
J.Biol.Chem., 281, 2006
|
|
4AY8
 | | SeMet-derivative of a methyltransferase from M. mazei | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1-THIOETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Hoeppner, A, Thomas, F, Rueppel, A, Hensel, R, Blankenfeldt, W, Bayer, P, Faust, A. | | Deposit date: | 2012-06-18 | | Release date: | 2012-10-31 | | Last modified: | 2014-11-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the Corrinoid:Coenzyme M Methyltransferase Mtaa from Methanosarcina Mazei
Acta Crystallogr.,Sect.D, 68, 2012
|
|
4B85
 | | Mus musculus Acetylcholinesterase in complex with 4-Chloranyl-N-(2- diethylamino-ethyl)-benzenesulfonamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide, ACETYLCHOLINESTERASE, ... | | Authors: | Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A. | | Deposit date: | 2012-08-24 | | Release date: | 2013-09-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
|
|
4B5S
 | | Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with pyruvate | | Descriptor: | 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, COBALT (II) ION, D-Glyceraldehyde, ... | | Authors: | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | | Deposit date: | 2012-08-07 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
|
|
1Q6N
 | | THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 4 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Protein-tyrosine phosphatase, ... | | Authors: | Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E. | | Deposit date: | 2003-08-13 | | Release date: | 2003-09-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B
Biochemistry, 42, 2003
|
|
2ACZ
 | | Complex II (Succinate Dehydrogenase) From E. Coli with Atpenin A5 inhibitor co-crystallized at the ubiquinone binding site | | Descriptor: | 3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE, CARDIOLIPIN, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Horsefield, R, Yankovskaya, V, Sexton, G, Whittingham, W, Shiomi, K, Omura, S, Byrne, B, Cecchini, G, Iwata, S. | | Deposit date: | 2005-07-19 | | Release date: | 2006-01-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural and computational analysis of the quinone-binding site of complex II (succinate-ubiquinone oxidoreductase): a mechanism of electron transfer and proton conduction during ubiquinone reduction.
J.Biol.Chem., 281, 2006
|
|
2ADL
 | | Solution structure of the bacterial antitoxin CcdA: Implications for DNA and toxin binding | | Descriptor: | CcdA | | Authors: | Madl, T, VanMelderen, L, Oberer, M, Keller, W, Khatai, L, Zangger, K. | | Deposit date: | 2005-07-20 | | Release date: | 2006-08-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural basis for nucleic acid and toxin recognition of the bacterial antitoxin CcdA
J.Mol.Biol., 364, 2006
|
|
2ADN
 | | Solution structure of the bacterial antitoxin CcdA: Implications for DNA and toxin binding | | Descriptor: | CcdA | | Authors: | Madl, T, VanMelderen, L, Oberer, M, Keller, W, Khatai, L, Zangger, K. | | Deposit date: | 2005-07-20 | | Release date: | 2006-08-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural basis for nucleic acid and toxin recognition of the bacterial antitoxin CcdA
J.Mol.Biol., 364, 2006
|
|
4BB9
 | | Crystal structure of glucokinase regulatory protein complexed to fructose-1-phosphate | | Descriptor: | 1-O-phosphono-beta-D-fructopyranose, CALCIUM ION, GLUCOKINASE REGULATORY PROTEIN | | Authors: | Pautsch, A, Stadler, N, Loehle, A, Lenter, M, Rist, W, Berg, A, Glocker, L, Nar, H, Reinert, D, Heckel, A, Schnapp, G, Kauschke, S.G. | | Deposit date: | 2012-09-21 | | Release date: | 2013-05-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Crystal Structure of Glucokinase Regulatory Protein.
Biochemistry, 52, 2013
|
|
3WEC
 | | Structure of P450 RauA (CYP1050A1) complexed with a biosynthetic intermediate of aurachin RE | | Descriptor: | 3-[(2E,6E,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1H)-one, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yasutake, Y, Kitagawa, W, Tamura, T. | | Deposit date: | 2013-07-03 | | Release date: | 2014-01-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structure of the quinoline N-hydroxylating cytochrome P450 RauA, an essential enzyme that confers antibiotic activity on aurachin alkaloids
Febs Lett., 588, 2014
|
|
1ZOD
 | |
