1X9I
 
 | | Crystal structure of Crystal structure of phosphoglucose/phosphomannose phosphoglucose/phosphomannoseisomerase from Pyrobaculum aerophilum in complex with glucose 6-phosphate | | Descriptor: | GLUCOSE-6-PHOSPHATE, GLYCEROL, glucose-6-phosphate isomerase | | Authors: | Swan, M.K, Hansen, T, Schoenheit, P, Davies, C. | | Deposit date: | 2004-08-21 | | Release date: | 2004-12-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Structural basis for phosphomannose isomerase activity in phosphoglucose isomerase from Pyrobaculum aerophilum: a subtle difference between distantly related enzymes.
Biochemistry, 43, 2004
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4B13
 | | Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 25) | | Descriptor: | 2-oxopentadecyl-CoA, 4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine, CHLORIDE ION, ... | | Authors: | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2012-07-06 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Antimalarial Drug Discovery.
J.Med.Chem., 55, 2012
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2CXK
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4HNO
 | | High resolution crystal structure of DNA Apurinic/apyrimidinic (AP) endonuclease IV Nfo from Thermatoga maritima | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... | | Authors: | Shin, D.S, Hosfield, D.J, Arvai, A.S, Tsutakawa, S.E, Tainer, J.A. | | Deposit date: | 2012-10-20 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.9194 Å) | | Cite: | Conserved Structural Chemistry for Incision Activity in Structurally Non-homologous Apurinic/Apyrimidinic Endonuclease APE1 and Endonuclease IV DNA Repair Enzymes.
J.Biol.Chem., 288, 2013
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2FX9
 | | Crystal structure of hiv-1 neutralizing human fab 4e10 in complex with a thioether-linked peptide encompassing the 4e10 epitope on gp41 | | Descriptor: | Fab 4E10, Fragment of HIV glycoprotein gp41 | | Authors: | Cardoso, R.M.F, Brunel, F.M, Ferguson, S, Burton, D.R, Dawson, P.E, Wilson, I.A. | | Deposit date: | 2006-02-03 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of enhanced binding of extended and helically constrained peptide epitopes of the broadly neutralizing HIV-1 antibody 4E10.
J.Mol.Biol., 365, 2007
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1JB3
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4B6R
 | | Structure of Helicobacter pylori Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid | | Descriptor: | (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2012-08-14 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids.
ACS Chem. Biol., 8, 2013
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4HOK
 | | crystal structure of apo ck1e | | Descriptor: | Casein kinase I isoform epsilon, SULFATE ION | | Authors: | Huang, X, Long, A.M, Zhao, H. | | Deposit date: | 2012-10-22 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural basis for the potent and selective inhibition of casein kinase 1 epsilon.
J.Med.Chem., 55, 2012
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5EHQ
 | | mAChE-anti TZ2PA5 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, ... | | Authors: | Bourne, Y, Marchot, P. | | Deposit date: | 2015-10-28 | | Release date: | 2016-01-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase.
J.Am.Chem.Soc., 138, 2016
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2RBS
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4MNH
 | | Structure of the DP10.7 TCR | | Descriptor: | Human nkt tcr alpha chain, T-cell receptor gamma chain V region PT-gamma-1/2, Human nkt tcr beta chain | | Authors: | Luoma, A.M, Adams, E.J. | | Deposit date: | 2013-09-10 | | Release date: | 2013-12-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal Structure of V delta 1 T Cell Receptor in Complex with CD1d-Sulfatide Shows MHC-like Recognition of a Self-Lipid by Human gamma delta T Cells.
Immunity, 39, 2013
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2Q5T
 | | Full-length Cholix toxin from Vibrio Cholerae | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cholix toxin | | Authors: | Jorgensen, R, Fieldhouse, R.J, Merrill, A.R. | | Deposit date: | 2007-06-01 | | Release date: | 2008-02-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cholix Toxin, a Novel ADP-ribosylating Factor from Vibrio cholerae.
J.Biol.Chem., 283, 2008
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2HY0
 | | crystal structure of chek1 in complex with inhibitor 22 | | Descriptor: | 3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-2(1H)-ONE, Serine/threonine-protein kinase Chk1 | | Authors: | Yan, Y. | | Deposit date: | 2006-08-04 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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1C3Q
 | | CRYSTAL STRUCTURE OF NATIVE THIAZOLE KINASE IN THE MONOCLINIC FORM | | Descriptor: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, CHLORIDE ION, Hydroxyethylthiazole kinase | | Authors: | Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E. | | Deposit date: | 1999-07-28 | | Release date: | 1999-08-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution.
Biochemistry, 39, 2000
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3VP2
 | | Crystal structure of human glutaminase in complex with inhibitor 2 | | Descriptor: | 5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial, ... | | Authors: | Thangavelu, K, Sivaraman, J. | | Deposit date: | 2012-02-23 | | Release date: | 2012-06-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7LNI
 | | SeMet CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | | Authors: | Horton, J.R, Cheng, X, Zhou, J. | | Deposit date: | 2021-02-07 | | Release date: | 2021-05-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Clostridioides difficile specific DNA adenine methyltransferase CamA squeezes and flips adenine out of DNA helix.
Nat Commun, 12, 2021
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3FVS
 | | Human Kynurenine Aminotransferase I in complex with Glycerol | | Descriptor: | GLYCEROL, Kynurenine--oxoglutarate transaminase 1, SODIUM ION | | Authors: | Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J. | | Deposit date: | 2009-01-16 | | Release date: | 2009-05-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural insight into the inhibition of human kynurenine aminotransferase I/glutamine transaminase K
J.Med.Chem., 52, 2009
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7LT5
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Cofactor SAH | | Descriptor: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | | Authors: | Horton, J.R, Cheng, X, Zhou, J. | | Deposit date: | 2021-02-18 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Clostridioides difficile specific DNA adenine methyltransferase CamA squeezes and flips adenine out of DNA helix.
Nat Commun, 12, 2021
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4LL5
 | | Crystal Structure of Pim-1 in complex with the fluorescent compound SKF86002 | | Descriptor: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, GLYCEROL, ... | | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-09 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
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1X9H
 | | Crystal structure of phosphoglucose/phosphomannose isomerase from Pyrobaculum aerophilum in complex with fructose 6-phosphate | | Descriptor: | FRUCTOSE -6-PHOSPHATE, GLYCEROL, SULFATE ION, ... | | Authors: | Swan, M.K, Hansen, T, Schoenheit, P, Davies, C. | | Deposit date: | 2004-08-21 | | Release date: | 2004-12-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis for phosphomannose isomerase activity in phosphoglucose isomerase from Pyrobaculum aerophilum: a subtle difference between distantly related enzymes.
Biochemistry, 43, 2004
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1PXK
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyiminoformamide | | Descriptor: | Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE | | Authors: | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | | Deposit date: | 2003-07-04 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
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6MOD
 | | Co-Crystal structure of P. aeruginosa LpxC-50432 complex | | Descriptor: | GLYCEROL, MAGNESIUM ION, N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, ... | | Authors: | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | | Deposit date: | 2018-10-04 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
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3VUD
 | | Crystal structure of a cysteine-deficient mutant M1 in MAP kinase JNK1 | | Descriptor: | Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, SULFATE ION | | Authors: | Nakaniwa, T, Kinoshita, T, Inoue, T. | | Deposit date: | 2012-06-28 | | Release date: | 2013-02-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1
Biochemistry, 51, 2012
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4N5V
 | | Alternative substrates of Mycobacterium tuberculosis anthranilate phosphoribosyl transferase | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-amino-4-fluorobenzoic acid, Anthranilate phosphoribosyltransferase, ... | | Authors: | Castell, A, Cookson, T.V.M, Parker, E.J, Baker, E.N, Lott, J.S. | | Deposit date: | 2013-10-10 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Alternative substrates reveal catalytic cycle and key binding events in the reaction catalysed by anthranilate phosphoribosyltransferase from Mycobacterium tuberculosis.
Biochem.J., 461, 2014
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2P56
 | | Crystal structure of alpha-2,3-sialyltransferase from Campylobacter jejuni in apo form | | Descriptor: | 1,2-ETHANEDIOL, Alpha-2,3-sialyltransferase | | Authors: | Chiu, C.P, Lairson, L.L, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C. | | Deposit date: | 2007-03-14 | | Release date: | 2007-07-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Analysis of the alpha-2,3-Sialyltransferase Cst-I from Campylobacter jejuni in Apo and Substrate-Analogue Bound Forms.
Biochemistry, 46, 2007
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