1K4S
 
 | | HUMAN DNA TOPOISOMERASE I IN COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX | | Descriptor: | 5'-D(*(SPT)P*GP*AP*AP*AP*AP*AP*(5IU)P*(5IU)P*(5IU)P*(5IU)P*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*(5IU)P*(5IU))-3', 5'-D(*AP*AP*AP*AP*AP*TP*(IDO)UP*(IDO)UP*(IDO)UP*(IDO)UP*CP*AP*AP*AP*GP*(IDO)UP*CP*(IDO)UP*(IDO)UP*(IDO)UP*(IDO)UP*T)-3', ... | | Authors: | Staker, B.L, Hjerrild, K, Feese, M.D, Behnke, C.A, Burgin Jr, A.B, Stewart, L.J. | | Deposit date: | 2001-10-08 | | Release date: | 2002-12-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The mechanism of topoisomerase I poisoning by a camptothecin analog
Proc.Natl.Acad.Sci.USA, 99, 2002
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1K7L
 | | The 2.5 Angstrom resolution crystal structure of the human PPARalpha ligand binding domain bound with GW409544 and a co-activator peptide. | | Descriptor: | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, Peroxisome proliferator activated receptor alpha, YTTRIUM (III) ION, ... | | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Moore, L.B, Collins, J.L, Oplinger, J.A, Kliewer, S.A, Gampe Jr, R.T, McKee, D.D, Moore, J.T, Willson, T.M. | | Deposit date: | 2001-10-19 | | Release date: | 2001-12-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors.
Proc.Natl.Acad.Sci.USA, 98, 2001
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2CNO
 | | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | | Descriptor: | Aza-peptide epoxide, Caspase-3 | | Authors: | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Grutter, M.G. | | Deposit date: | 2006-05-22 | | Release date: | 2007-05-22 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006
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1K3L
 | | Crystal Structure Analysis of S-hexyl-glutathione Complex of Glutathione Transferase at 1.5 Angstroms Resolution | | Descriptor: | GLUTATHIONE S-TRANSFERASE A1, S-HEXYLGLUTATHIONE | | Authors: | Le Trong, I, Stenkamp, R.E, Ibarra, C, Atkins, W.M, Adman, E.T. | | Deposit date: | 2001-10-03 | | Release date: | 2002-10-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 1.3-A resolution structure of human glutathione S-transferase with S-hexyl
glutathione bound reveals possible extended ligandin binding site
Proteins, 48, 2002
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2CDR
 | | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | | Descriptor: | AZA-PEPTIDE EXPOXIDE, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17 | | Authors: | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Gruetter, M.G. | | Deposit date: | 2006-01-27 | | Release date: | 2007-03-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors.
Biochemistry, 45, 2006
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2CNN
 | | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | | Descriptor: | AZA-PEPTIDE EXPOXIDE, Caspase-3 | | Authors: | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Grutter, M.G. | | Deposit date: | 2006-05-22 | | Release date: | 2007-05-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006
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2CNL
 | | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | | Descriptor: | AZA-PEPTIDE EPOXIDE, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17 | | Authors: | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Grutter, M.G, Powers, J.C. | | Deposit date: | 2006-05-22 | | Release date: | 2007-05-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006
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2CNK
 | | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | | Descriptor: | AZA-PEPTIDE EXPOXIDE, CASPASE-3 P12 SUBUNIT, CASPASE-3 P17 SUBUNIT | | Authors: | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Grutter, M.G. | | Deposit date: | 2006-05-22 | | Release date: | 2007-05-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006
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1K3Y
 | | Crystal Structure Analysis of human Glutathione S-transferase with S-hexyl glutatione and glycerol at 1.3 Angstrom | | Descriptor: | GLUTATHIONE S-TRANSFERASE A1, GLYCEROL, S-HEXYLGLUTATHIONE | | Authors: | Le Trong, I, Stenkamp, R.E, Ibarra, C, Atkins, W.M, Adman, E.T. | | Deposit date: | 2001-10-04 | | Release date: | 2002-10-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | 1.3-A resolution structure of human glutathione S-transferase with S-hexyl glutathione bound reveals possible extended ligandin binding site.
Proteins, 48, 2002
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2D7F
 | | Crystal structure of A lectin from canavalia gladiata seeds complexed with alpha-methyl-mannoside and alpha-aminobutyric acid | | Descriptor: | CALCIUM ION, Concanavalin A, D-ALPHA-AMINOBUTYRIC ACID, ... | | Authors: | Delatorre, P, Rocha, B.A.M, Souza, E.P, Freitas, B.T, Moreno, F.B.B.M, Sampaio, A.H, Azevedo Jr, W.F, Cavada, B.S. | | Deposit date: | 2005-11-19 | | Release date: | 2006-12-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structure of a lectin from Canavalia gladiata seeds: new structural insights for old molecules
Bmc Struct.Biol., 7, 2007
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2EL2
 | | Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (L185M) | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, diphthine synthase | | Authors: | Asada, Y, Tanaka, Y, Pampa, K, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-26 | | Release date: | 2007-10-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (L185M)
To be Published
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7YQP
 | | Xcc Nicotinamide Phosphoribosyltransferase | | Descriptor: | Pre-B cell enhancing factor related protein | | Authors: | Xu, G.L, Ming, Z.H. | | Deposit date: | 2022-08-08 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.088 Å) | | Cite: | Structure of Xanthomonas campestris pv. campestris Nicotinamide Phosphoribosyltransferase: insights into bacterial NAD+ biosynthesis from the salvage pathway
To Be Published
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7YQO
 | | Xcc Nicotinamide Phosphoribosyltransferase | | Descriptor: | GLYCEROL, Pre-B cell enhancing factor related protein | | Authors: | Xu, G.L, Ming, Z.H. | | Deposit date: | 2022-08-08 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure of Xanthomonas campestris pv. campestris Nicotinamide Phosphoribosyltransferase: insights into bacterial NAD+ biosynthesis from the salvage pathway
To Be Published
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3AOB
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2EKM
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2EKN
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1BHU
 | | THE 3D STRUCTURE OF THE STREPTOMYCES METALLOPROTEINASE INHIBITOR, SMPI, ISOLATED FROM STREPTOMYCES NIGRESCENS TK-23, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | METALLOPROTEINASE INHIBITOR | | Authors: | Tate, S, Ohno, A, Seeram, S.S, Hiraga, K, Oda, K, Kainosho, M. | | Deposit date: | 1998-06-10 | | Release date: | 1999-01-06 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the Streptomyces metalloproteinase inhibitor, SMPI, isolated from Streptomyces nigrescens TK-23: another example of an ancestral beta gamma-crystallin precursor structure.
J.Mol.Biol., 282, 1998
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1BHY
 | | LOW TEMPERATURE MIDDLE RESOLUTION STRUCTURE OF P64K FROM MASC DATA | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P64K | | Authors: | Ramin, M, Shepard, W, Fourme, R, Kahn, R. | | Deposit date: | 1998-06-10 | | Release date: | 1998-11-04 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (4.18 Å) | | Cite: | Multiwavelength anomalous solvent contrast (MASC): derivation of envelope structure-factor amplitudes and comparison with model values.
Acta Crystallogr.,Sect.D, 55, 1999
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3C5R
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1BHW
 | | LOW TEMPERATURE MIDDLE RESOLUTION STRUCTURE OF XYLOSE ISOMERASE FROM MASC DATA | | Descriptor: | XYLOSE ISOMERASE | | Authors: | Ramin, M, Shepard, W, Fourme, R, Kahn, R. | | Deposit date: | 1998-06-10 | | Release date: | 1998-11-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Multiwavelength anomalous solvent contrast (MASC): derivation of envelope structure-factor amplitudes and comparison with model values.
Acta Crystallogr.,Sect.D, 55, 1999
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3C7H
 | | Crystal structure of glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase from Bacillus subtilis in complex with AXOS-4-0.5. | | 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: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 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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6ZYU
 | | Structure of the GluA2 ligand-binding domain (L483Y-N754S) in complex with glutamate and BPAM549 | | Descriptor: | (4~{R})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide, (4~{S})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide, ACETATE ION, ... | | Authors: | Dorosz, J, Christensen, K.M, Kastrup, J.S. | | Deposit date: | 2020-08-03 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Development of Thiochroman Dioxide Analogues of Benzothiadiazine Dioxides as New Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors.
Acs Chem Neurosci, 12, 2021
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1BFA
 | | RECOMBINANT BIFUNCTIONAL HAGEMAN FACTOR/AMYLASE INHIBITOR FROM MAIZE | | Descriptor: | BIFUNCTIONAL AMYLASE/SERINE PROTEASE INHIBITOR | | Authors: | Behnke, C.A, Yee, V.C, Le Trong, I, Pedersen, L.C, Stenkamp, R.E, Kim, S.S, Reeck, G.R, Teller, D.C. | | Deposit date: | 1998-05-13 | | Release date: | 1998-08-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural determinants of the bifunctional corn Hageman factor inhibitor: x-ray crystal structure at 1.95 A resolution.
Biochemistry, 37, 1998
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8IMQ
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6EZ6
 | | PI3 kinase delta in complex with Methyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylate | | Authors: | Convery, M.A, Campos, S, Dalton, S.E. | | Deposit date: | 2017-11-14 | | Release date: | 2017-12-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Selectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition.
J. Am. Chem. Soc., 140, 2018
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