1H6H
 
 | | Structure of the PX domain from p40phox bound to phosphatidylinositol 3-phosphate | | Descriptor: | 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, GLYCEROL, NEUTROPHIL CYTOSOL FACTOR 4 | | Authors: | Karathanassis, D, Bravo, J, Pacold, M, Perisic, O, Williams, R.L. | | Deposit date: | 2001-06-15 | | Release date: | 2001-11-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of the Px Domain from P40Phox Bound to Phosphatidylinositol 3-Phosphate
Mol.Cell, 8, 2001
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3LMA
 | | Crystal structure of the stage V sporulation protein AD (SpoVAD) from Bacillus licheniformis. Northeast Structural Genomics Consortium Target BiR6. | | Descriptor: | Stage V sporulation protein AD (SpoVAD) | | Authors: | Vorobiev, S, Ashok, S, Seetharaman, J, Belote, R.L, Ciccosanti, C, Patel, D.J, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-01-29 | | Release date: | 2010-02-09 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (1.993 Å) | | Cite: | Crystal structure of the stage V sporulation protein AD (SpoVAD) from Bacillus licheniformis.
To be Published
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3LRX
 | | Crystal Structure of the C-terminal domain (residues 78-226) of PF1911 hydrogenase from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR246A | | Descriptor: | Putative hydrogenase | | Authors: | Forouhar, F, Abashidze, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Foote, E.L, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-02-11 | | Release date: | 2010-03-16 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Northeast Structural Genomics Consortium Target PfR246A
To be Published
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3L8P
 | | Crystal structure of cytoplasmic kinase domain of Tie2 complexed with inhibitor CEP11207 | | Descriptor: | 2-methyl-11-(1-methylethyl)-8-[(2S)-tetrahydro-2H-pyran-2-yl]-2,11,12,13-tetrahydro-4H-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one, Angiopoietin-1 receptor | | Authors: | Fedorov, A.A, Fedorov, E.V, Pauletti, D, Meyer, S.L, Hudkins, R.L, Almo, S.C. | | Deposit date: | 2010-01-03 | | Release date: | 2010-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of cytoplasmic kinase domain of Tie2 complexed with inhibitor CEP11207
To be Published
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1HE8
 | | Ras G12V - PI 3-kinase gamma complex | | Descriptor: | MAGNESIUM ION, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT, GAMMA ISOFORM, ... | | Authors: | Pacold, M.E, Suire, S, Perisic, O, Lara-Gonzalez, S, Davis, C.T, Hawkins, P.T, Walker, E.H, Stephens, L, Eccleston, J.F, Williams, R.L. | | Deposit date: | 2000-11-20 | | Release date: | 2001-01-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure and Functional Analysis of Ras Binding to its Effector Phosphoinositide 3-Kinase Gamma
Cell(Cambridge,Mass.), 103, 2000
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4J7H
 | | Crystal structure of EvaA, a 2,3-dehydratase in complex with dTDP-benzene and dTDP-rhamnose | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, ... | | Authors: | Holden, H.M, Kubiak, R.L, Thoden, J.B. | | Deposit date: | 2013-02-13 | | Release date: | 2013-05-22 | | Last modified: | 2013-12-25 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structure of EvaA: A Paradigm for Sugar 2,3-Dehydratases.
Biochemistry, 52, 2013
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1H5N
 | | DMSO REDUCTASE MODIFIED BY THE PRESENCE OF DMS AND AIR | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM(VI) ION, ... | | Authors: | Bailey, S, Adams, B, Smith, A.T, Richards, R.L, Lowe, D.J, Bray, R.C. | | Deposit date: | 2001-05-22 | | Release date: | 2002-05-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reactions of Dimethyl Sulphoxide Reductase in the Presence of Dimethylsulphide and the Structure of the Dimethylsulphide-Modified Enzyme
Biochemistry, 40, 2001
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4KDV
 | | Crystal structure of a bacterial immunoglobulin-like domain from the M. primoryensis ice-binding adhesin | | Descriptor: | Antifreeze protein, CALCIUM ION | | Authors: | Guo, S, Garnham, C.P, Karunan, S.P, Campbell, R.L, Allingham, J.S, Davies, P.L. | | Deposit date: | 2013-04-25 | | Release date: | 2013-10-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Role of Ca(2+) in folding the tandem beta-sandwich extender domains of a bacterial ice-binding adhesin.
Febs J., 280, 2013
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4KPJ
 | | Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate | | Descriptor: | 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L. | | Deposit date: | 2013-05-13 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate
To be Published
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1FQ8
 | | X-RAY STRUCTURE OF DIFLUOROSTATINE INHIBITOR CP81,198 BOUND TO SACCHAROPEPSIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2 -yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide, SACCHAROPEPSIN, ... | | Authors: | Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B. | | Deposit date: | 2000-09-04 | | Release date: | 2000-09-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000
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4KQU
 | | Crystal Structure of Farnesyl Synthase Mutant (Y204A) Complexed with Mg, Alendronate and Isopentenyl Pyrophosphate | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, Farnesyl pyrophosphate synthase, ... | | Authors: | Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L. | | Deposit date: | 2013-05-15 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal Structure of Farnesyl Synthase Mutant (Y204A) Complexed with Mg, Alendronate and Isopentenyl Pyrophosphate
To be Published
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1A3A
 | | CRYSTAL STRUCTURE OF IIA MANNITOL FROM ESCHERICHIA COLI | | Descriptor: | MANNITOL-SPECIFIC EII | | Authors: | Van Montfort, R.L.M, Pijning, T, Kalk, K.H, Hangyi, I, Kouwijzer, M.L.C.E, Robillard, G.T, Dijkstra, B.W. | | Deposit date: | 1998-01-19 | | Release date: | 1998-08-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of the Escherichia coli phosphotransferase IIAmannitol reveals a novel fold with two conformations of the active site.
Structure, 6, 1998
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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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4K3G
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4KE2
 | | Crystal structure of the hyperactive Type I antifreeze from winter flounder | | Descriptor: | Type I hyperactive antifreeze protein | | Authors: | Sun, T, Lin, F.-H, Campbell, R.L, Allingham, J.S, Davies, P.L. | | Deposit date: | 2013-04-25 | | Release date: | 2014-02-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An antifreeze protein folds with an interior network of more than 400 semi-clathrate waters.
Science, 343, 2014
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3LE6
 | | The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor | | Descriptor: | 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine, Cell division protein kinase 2 | | Authors: | Lukacs, C.M, Swain, A, Crowther, R.L, Kammlott, R.U, Liu, J.J. | | Deposit date: | 2010-01-14 | | Release date: | 2010-11-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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4KFA
 | | Crystal structure of human farnesyl pyrophosphate synthase (t201a mutant) complexed with mg and zoledronate | | Descriptor: | 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L. | | Deposit date: | 2013-04-26 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structure of human farnesyl pyrophosphate synthase (t201a mutant) complexed with mg and zoledronate
To be Published
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3LV4
 | | Crystal structure of the glycoside hydrolase, family 43 YxiA protein from Bacillus licheniformis. Northeast Structural Genomics Consortium Target BiR14. | | Descriptor: | ACETATE ION, CALCIUM ION, Glycoside hydrolase YxiA | | Authors: | Vorobiev, S, Abashidze, M, Seetharaman, J, Belote, R.L, Ciccosanti, C, Sahdev, S, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-02-19 | | Release date: | 2010-03-09 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.695 Å) | | Cite: | Crystal structure of the glycoside hydrolase, family 43 YxiA protein from Bacillus licheniformis.
To be Published
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4KVT
 | | Crystal structure of a 6-helix coiled coil CC-Hex-L24C | | Descriptor: | 6-helix coiled coil CC-Hex-L24C peptide | | Authors: | Burton, A.J, Agnew, C, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2013-05-23 | | Release date: | 2013-08-21 | | Last modified: | 2013-09-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Accessibility, Reactivity, and Selectivity of Side Chains within a Channel of de Novo Peptide Assembly.
J.Am.Chem.Soc., 135, 2013
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1I0Z
 | | HUMAN HEART L-LACTATE DEHYDROGENASE H CHAIN, TERNARY COMPLEX WITH NADH AND OXAMATE | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-LACTATE DEHYDROGENASE H CHAIN, OXAMIC ACID | | Authors: | Read, J.A, Winter, V.J, Eszes, C.M, Sessions, R.B, Brady, R.L. | | Deposit date: | 2001-01-30 | | Release date: | 2001-03-28 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for altered activity of M- and H-isozyme forms of human lactate dehydrogenase.
Proteins, 43, 2001
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4KYD
 | | Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Maltose-binding periplasmic protein, Phosphoprotein, ... | | Authors: | Yegambaram, K, Bulloch, E.M.M, Kingston, R.L. | | Deposit date: | 2013-05-28 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Protein domain definition should allow for conditional disorder.
Protein Sci., 22, 2013
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1I4E
 | | CRYSTAL STRUCTURE OF THE CASPASE-8/P35 COMPLEX | | Descriptor: | Caspase-8, Early 35 kDa protein | | Authors: | Xu, G, Cirilli, M, Huang, Y, Rich, R.L, Myszka, D.G, Wu, H. | | Deposit date: | 2001-02-20 | | Release date: | 2001-03-28 | | Last modified: | 2013-09-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Covalent inhibition revealed by the crystal structure of the caspase-8/p35 complex.
Nature, 410, 2001
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4KVV
 | | Crystal structure of an alkylated Cys mutant of CC-Hex | | Descriptor: | 6-HELIX COILED COIL CC-HEX-L24C PEPTIDE with an alkylated Cys mutation | | Authors: | Burton, A.J, Agnew, C, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2013-05-23 | | Release date: | 2013-08-21 | | Last modified: | 2013-09-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Accessibility, Reactivity, and Selectivity of Side Chains within a Channel of de Novo Peptide Assembly.
J.Am.Chem.Soc., 135, 2013
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4KYC
 | | Structure of the C-terminal domain of the Menangle virus phosphoprotein, fused to MBP. | | Descriptor: | 1,2-ETHANEDIOL, BORIC ACID, Maltose-binding periplasmic protein, ... | | Authors: | Yegambaram, K, Bulloch, E.M.M, Kingston, R.L. | | Deposit date: | 2013-05-28 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Protein domain definition should allow for conditional disorder.
Protein Sci., 22, 2013
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4L7F
 | | Co-crystal Structure of JNK1 and AX13587 | | Descriptor: | Mitogen-activated protein kinase 8, N-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide | | Authors: | Walter, R.L, Ranieri, G.M, Riggs, A.M, Weissig, H, Li, B, Shreder, K.R. | | Deposit date: | 2013-06-13 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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