1PGC
 
 | | NMR Solution Structure of an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link in a DNA Dodecamer Duplex | | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II) | | Authors: | Wu, Y, Pradhan, P, Havener, J, Chaney, S.G, Campbel, S.L. | | Deposit date: | 2003-05-28 | | Release date: | 2004-07-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of an oxaliplatin 1,2-d(GG) intrastrand cross-link in a DNA dodecamer duplex
J.Mol.Biol., 341, 2004
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4OV4
 | | Isopropylmalate synthase binding with ketoisovalerate | | Descriptor: | 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, ZINC ION | | Authors: | Zhang, Z, Wu, J, Wang, C, Zhang, P. | | Deposit date: | 2014-02-20 | | Release date: | 2014-08-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition.
J.Biol.Chem., 289, 2014
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4J1R
 | | Crystal Structure of GSK3b in complex with inhibitor 15R | | Descriptor: | (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION, ... | | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-01 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
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4J71
 | | Crystal Structure of GSK3b in complex with inhibitor 1R | | Descriptor: | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ... | | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-12 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
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1QXR
 | | Crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with 5-phosphoarabinonate | | Descriptor: | 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase, NICKEL (II) ION | | Authors: | Swan, M.K, Solomons, J.T.G, Beeson, C.C, Hansen, P, Schonheit, P, Davies, C. | | Deposit date: | 2003-09-08 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural evidence for a hydride transfer mechanism of catalysis in phosphoglucose isomerase from Pyrococcus furiosus
J.Biol.Chem., 278, 2003
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1PG9
 | | NMR Solution Structure of an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link in a DNA Dodecamer Duplex | | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II) | | Authors: | Wu, Y, Pradhan, P, Havener, J, Chaney, S.G, Campbel, S.L. | | Deposit date: | 2003-05-28 | | Release date: | 2004-07-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of an oxaliplatin 1,2-d(GG) intrastrand cross-link in a DNA dodecamer duplex
J.Mol.Biol., 341, 2004
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1HYO
 | | CRYSTAL STRUCTURE OF FUMARYLACETOACETATE HYDROLASE COMPLEXED WITH 4-(HYDROXYMETHYLPHOSPHINOYL)-3-OXO-BUTANOIC ACID | | Descriptor: | 4-[HYDROXY-[METHYL-PHOSPHINOYL]]-3-OXO-BUTANOIC ACID, ACETATE ION, CALCIUM ION, ... | | Authors: | Bateman, R.L, Bhanumoorthy, P, Witte, J.F, McClard, R.W, Grompe, M, Timm, D.E. | | Deposit date: | 2001-01-21 | | Release date: | 2001-02-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Mechanistic inferences from the crystal structure of fumarylacetoacetate hydrolase with a bound phosphorus-based inhibitor.
J.Biol.Chem., 276, 2001
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4O1I
 | | Crystal Structure of the regulatory domain of MtbGlnR | | Descriptor: | Transcriptional regulatory protein | | Authors: | Lin, W, Wang, C, Zhang, P. | | Deposit date: | 2013-12-16 | | Release date: | 2014-04-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
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4O1H
 | | Crystal Structure of the regulatory domain of AmeGlnR | | Descriptor: | Transcription regulator GlnR | | Authors: | Lin, W, Wang, C, Zhang, P. | | Deposit date: | 2013-12-16 | | Release date: | 2014-04-23 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
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3S32
 | | Crystal structure of Ash2L N-terminal domain | | Descriptor: | Set1/Ash2 histone methyltransferase complex subunit ASH2, ZINC ION | | Authors: | Sarvan, S, Avdic, V, Tremblay, V, Chaturvedi, C.-P, Zhang, P, Lanouette, S, Blais, A, Brunzelle, J.S, Brand, M, Couture, J.-F. | | Deposit date: | 2011-05-17 | | Release date: | 2011-06-08 | | Last modified: | 2012-01-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of the trithorax group protein ASH2L reveals a forkhead-like DNA binding domain.
Nat.Struct.Mol.Biol., 18, 2011
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4OV9
 | | Structure of isopropylmalate synthase binding with alpha-isopropylmalate | | Descriptor: | (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid, ZINC ION, isopropylmalate synthase | | Authors: | Zhang, Z, Wu, J, Wang, C, Zhang, P. | | Deposit date: | 2014-02-20 | | Release date: | 2014-08-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition.
J.Biol.Chem., 289, 2014
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7NH9
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2VEO
 | | X-ray structure of Candida antarctica lipase A in its closed state. | | Descriptor: | GLYCEROL, LIPASE A, TETRAETHYLENE GLYCOL, ... | | Authors: | Ericsson, D.J, Kasrayan, A, Johansson, P, Bergfors, T, Sandstrom, A.G, Backvall, J.E, Mowbray, S.L. | | Deposit date: | 2007-10-25 | | Release date: | 2007-11-06 | | Last modified: | 2015-04-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-Ray Structure of Candida Antarctica Lipase a Shows a Novel Lid Structure and a Likely Mode of Interfacial Activation.
J.Mol.Biol., 376, 2008
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1J7N
 | | Anthrax Toxin Lethal factor | | Descriptor: | Lethal Factor precursor, SULFATE ION, ZINC ION | | Authors: | Pannifer, A.D, Wong, T.Y, Schwarzenbacher, R, Renatus, M, Petosa, C, Collier, R.J, Bienkowska, J, Lacy, D.B, Park, S, Leppla, S.H, Hanna, P, Liddington, R.C. | | Deposit date: | 2001-05-17 | | Release date: | 2001-11-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the anthrax lethal factor.
Nature, 414, 2001
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1JKY
 | | Crystal Structure of the Anthrax Lethal Factor (LF): Wild-type LF Complexed with the N-terminal Sequence of MAPKK2 | | Descriptor: | Lethal Factor, mitogen-activated protein kinase kinase 2 | | Authors: | Pannifer, A.D, Wong, T.Y, Schwarzenbacher, R, Renatus, M, Petosa, C, Collier, R.J, Bienkowska, J, Lacy, D.B, Park, S, Leppla, S.H, Hanna, P, Liddington, R.C. | | Deposit date: | 2001-07-13 | | Release date: | 2001-11-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Crystal structure of the anthrax lethal factor.
Nature, 414, 2001
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4RFS
 | | Structure of a pantothenate energy coupling factor transporter | | Descriptor: | Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ... | | Authors: | Zhang, M, Bao, Z, Zhao, Q, Guo, H, Xu, K, Zhang, P. | | Deposit date: | 2014-09-27 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.232 Å) | | Cite: | Structure of a pantothenate transporter and implications for ECF module sharing and energy coupling of group II ECF transporters.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4G91
 | | CCAAT-binding complex from Aspergillus nidulans | | Descriptor: | HAPB protein, HapE, Transcription factor HapC (Eurofung) | | Authors: | Huber, E.M, Scharf, D.H, Hortschansky, P, Groll, M, Brakhage, A.A. | | Deposit date: | 2012-07-23 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | DNA Minor Groove Sensing and Widening by the CCAAT-Binding Complex.
Structure, 20, 2012
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4G92
 | | CCAAT-binding complex from Aspergillus nidulans with DNA | | Descriptor: | DNA, HAPB protein, HapE, ... | | Authors: | Huber, E.M, Scharf, D.H, Hortschansky, P, Groll, M, Brakhage, A.A. | | Deposit date: | 2012-07-23 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | DNA Minor Groove Sensing and Widening by the CCAAT-Binding Complex.
Structure, 20, 2012
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1W74
 | | X-ray structure of peptidyl-prolyl cis-trans isomerase A, PpiA, Rv0009, from Mycobacterium tuberculosis. | | Descriptor: | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | | Authors: | Henriksson, L.M, Johansson, P, Unge, T, Mowbray, S.L. | | Deposit date: | 2004-08-27 | | Release date: | 2004-10-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-Ray Structure of Peptidyl-Prolyl Cis-Trans Isomerase a from Mycobacterium Tuberculosis
Eur.J.Biochem., 271, 2004
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4PBX
 | | Crystal structure of the six N-terminal domains of human receptor protein tyrosine phosphatase sigma | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor-type tyrosine-protein phosphatase S | | Authors: | Coles, C.H, Mitakidis, N, Zhang, P, Elegheert, J, Lu, W, Stoker, A.W, Nakagawa, T, Craig, A.M, Jones, E.Y, Aricescu, A.R. | | Deposit date: | 2014-04-14 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural basis for extracellular cis and trans RPTP sigma signal competition in synaptogenesis.
Nat Commun, 5, 2014
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4PBW
 | | Crystal structure of chicken receptor protein tyrosine phosphatase sigma in complex with TrkC | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NT-3 growth factor receptor, Protein-tyrosine phosphatase CRYPalpha1 isoform | | Authors: | Coles, C.H, Mitakidis, N, Zhang, P, Elegheert, J, Lu, W, Stoker, A.W, Nakagawa, T, Craig, A.M, Jones, E.Y, Aricescu, A.R. | | Deposit date: | 2014-04-14 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural basis for extracellular cis and trans RPTP sigma signal competition in synaptogenesis.
Nat Commun, 5, 2014
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4GH8
 | | Crystal structure of a 'humanized' E. coli dihydrofolate reductase | | Descriptor: | CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ... | | Authors: | French, J.B, Liu, C.T, Hanoian, P, Pringle, T.H, Hammes-Schiffer, S, Benkovic, S.J. | | Deposit date: | 2012-08-07 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4Q0X
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2K0Q
 | | Solution structure of CopK, a periplasmic protein involved in copper resistance in Cupriavidus metallidurans CH34 | | Descriptor: | Putative uncharacterized protein copK | | Authors: | Bersch, B, Favier, A, Schanda, P, Coves, J, van Aelst, S, Vallaeys, T, Wattiez, R, Mergeay, M. | | Deposit date: | 2008-02-12 | | Release date: | 2008-05-27 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Molecular structure and metal-binding properties of the periplasmic CopK protein expressed in Cupriavidus metallidurans CH34 during copper challenge.
J.Mol.Biol., 380, 2008
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4AJM
 | | Development of a plate-based optical biosensor methodology to identify PDE10 fragment inhibitors | | Descriptor: | 3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | | Authors: | Geschwindner, S, Johansson, P, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Albert, J.S. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Development of a Plate-Based Optical Biosensor Methodology to Identify Pde10 Fragment Inhibitors
To be Published
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