1IKE
 
 | | Crystal Structure of Nitrophorin 4 from Rhodnius Prolixus Complexed with Histamine at 1.5 A Resolution | | Descriptor: | HISTAMINE, Nitrophorin 4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Roberts, S.A, Weichsel, A, Qiu, Y, Shelnutt, J.A, Walker, F.A, Montfort, W.R. | | Deposit date: | 2001-05-03 | | Release date: | 2001-10-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Ligand-induced heme ruffling and bent no geometry in ultra-high-resolution structures of nitrophorin 4.
Biochemistry, 40, 2001
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4YQV
 | | Glutathione S-transferase Omega 1 bound to covalent inhibitor C4-10 | | Descriptor: | 2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide, Glutathione S-transferase omega-1 | | Authors: | Stuckey, J.A. | | Deposit date: | 2015-03-13 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
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4YS6
 | | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE | | Descriptor: | CHLORIDE ION, Putative solute-binding component of ABC transporter, SODIUM ION, ... | | Authors: | Vetting, M.W, Patskovsky, Y, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2015-03-16 | | Release date: | 2015-04-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE
To be published
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5UC3
 | | Structure of the dominant negative mutant Glucocorticoid Receptor alpha (L733K/N734P) complexed with RU-486 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, ... | | Authors: | Min, J, Cidlowski, J.A, Pedersen, L.C. | | Deposit date: | 2016-12-21 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Nuclear receptor
To Be Published
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4YW5
 | | Crystal Structure of Streptococcus pneumoniae NanC, complex with oseltamivir carboxylate | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ... | | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | | Deposit date: | 2015-03-20 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
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4Y63
 | | AAGlyB in complex with amino-acid analogues | | Descriptor: | 5'-deoxy-5'-{[(2S)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | | Authors: | Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S. | | Deposit date: | 2015-02-12 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
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4YC3
 | | CDK1/CyclinB1/CKS2 Apo | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ... | | Authors: | Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A. | | Deposit date: | 2015-02-19 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
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4WXE
 | | CRYSTAL STRUCTURE OF A LACI REGULATOR FROM LACTOBACILLUS CASEI (LSEI_2103, TARGET EFI-512911) WITH BOUND TRIS | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-11-13 | | Release date: | 2014-11-26 | | Last modified: | 2015-10-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | CRYSTAL STRUCTURE OF A LACI REGULATOR FROM LACTOBACILLUS CASEI (LSEI_2103, TARGET EFI-512911) WITH BOUND TRIS
To be published
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4X08
 | | Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms. | | Descriptor: | Eosinophil cationic protein, SULFATE ION | | Authors: | Blanco, J.A, Garcia, J.M, Salazar, V.A, Sanchez, D, Moussauoi, M, Boix, E. | | Deposit date: | 2014-11-21 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms.
To Be Published
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1IN8
 | | THERMOTOGA MARITIMA RUVB T158V | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HOLLIDAY JUNCTION DNA HELICASE RUVB | | Authors: | Putnam, C.D, Clancy, S.B, Tsuruta, H, Wetmur, J.G, Tainer, J.A. | | Deposit date: | 2001-05-12 | | Release date: | 2001-08-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and mechanism of the RuvB Holliday junction branch migration motor.
J.Mol.Biol., 311, 2001
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4X04
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM CITROBACTER KOSERI (CKO_04899, TARGET EFI-510094) WITH BOUND D-glucuronate | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, beta-D-glucopyranuronic acid, ... | | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-11-20 | | Release date: | 2014-12-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM CITROBACTER KOSERI (CKO_04899, TARGET EFI-510094) WITH BOUND D-glucuronate
To be published
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5A46
 | | FGFR1 in complex with dovitinib | | Descriptor: | 1,2-ETHANEDIOL, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | | Authors: | Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L. | | Deposit date: | 2015-06-05 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
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5AA4
 | | Crystal structure of MltF from Pseudomonas aeruginosa in complex with cell-wall tetrapeptide | | Descriptor: | MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium | | Authors: | Dominguez-Gil, T, Acebron, I, Hermoso, J.A. | | Deposit date: | 2015-07-23 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
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4YEY
 | | HUaa-20bp | | Descriptor: | DNA-binding protein HU-alpha, synthetic DNA strand | | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | | Deposit date: | 2015-02-24 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.354 Å) | | Cite: | HU multimerization shift controls nucleoid compaction.
Sci Adv, 2, 2016
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4YFH
 | | HU38-20bp | | Descriptor: | DNA-binding protein HU-alpha, synthetic DNA strand | | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | | Deposit date: | 2015-02-25 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | HU multimerization shift controls nucleoid compaction.
Sci Adv, 2, 2016
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4Y62
 | | AAGlyB in complex with amino-acid analogues | | Descriptor: | 5'-deoxy-5'-{[(2R)-3-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | | Authors: | Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S. | | Deposit date: | 2015-02-12 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
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1JS2
 | | Crystal structure of C77S HiPIP: a serine ligated [4Fe-4S] cluster | | Descriptor: | IRON/SULFUR CLUSTER, high-potential iron protein | | Authors: | Mansy, S.S, Xiong, Y, Hemann, C, Hille, R, Sundaralingam, M, Cowan, J.A. | | Deposit date: | 2001-08-16 | | Release date: | 2002-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure and stability studies of C77S HiPIP: a serine ligated [4Fe-4S] cluster.
Biochemistry, 41, 2002
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1JWJ
 | | Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457F Mutation at Tetrahydrobiopterin Binding Site | | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | | Authors: | Aoyagi, M, Arvai, A.S, Ghosh, S, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2001-09-04 | | Release date: | 2001-10-31 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of tetrahydrobiopterin binding-site mutants of inducible nitric oxide synthase oxygenase dimer and implicated roles of Trp457.
Biochemistry, 40, 2001
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4YC8
 | | C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide, ... | | Authors: | Kwarcinski, F.E, Brandvold, K.B, Johnson, T.J, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B. | | Deposit date: | 2015-02-19 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Acs Chem.Biol., 11, 2016
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6DZ8
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4YF0
 | | HU38-19bp | | Descriptor: | DNA-binding protein HU-alpha, synthetic DNA strand | | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | | Deposit date: | 2015-02-24 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | HU multimerization shift controls nucleoid compaction.
Sci Adv, 2, 2016
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4YKR
 | | Heat Shock Protein 90 Bound to CS302 | | Descriptor: | 1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2H-benzimidazol-2-one, GLYCEROL, Heat shock protein HSP 90-alpha | | Authors: | Kang, Y.N, Stuckey, J.A. | | Deposit date: | 2015-03-04 | | Release date: | 2016-03-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structure of Heat Shock Protein 90 Bound to CS302
To Be Published
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1JLU
 | | Crystal Structure of the Catalytic Subunit of cAMP-dependent Protein Kinase Complexed with a Phosphorylated Substrate Peptide and Detergent | | Descriptor: | AMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ... | | Authors: | Madhusudan, Trafny, E.A, Xuong, N.-H, Adams, J.A, Ten Eyck, L.F, Taylor, S.S, Sowadski, J.M. | | Deposit date: | 2001-07-16 | | Release date: | 2001-08-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | cAMP-dependent protein kinase: crystallographic insights into substrate recognition and phosphotransfer.
Protein Sci., 3, 1994
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4YLE
 | | Crystal structure of an ABC transpoter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose | | Descriptor: | Periplasmic binding protein/LacI transcriptional regulator, UNKNOWN LIGAND | | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2015-03-05 | | Release date: | 2015-04-15 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of an ABC transporter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose
To be published
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4E4J
 | | Crystal structure of arginine deiminase from Mycoplasma penetrans | | Descriptor: | Arginine deiminase, CHLORIDE ION | | Authors: | Benach, J, Gallego, P, Planell, R, Querol, E, Perez Pons, J.A, Reverter, D. | | Deposit date: | 2012-03-13 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Characterization of the Enzymes Composing the Arginine Deiminase Pathway in Mycoplasma penetrans.
Plos One, 7, 2012
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