4K7X
 
 | | Crystal structure of a 4-hydroxyproline epimerase from burkholderia multivorans, target efi-506479, with bound phosphate, closed domains | | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-04-17 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of a 4-hydroxyproline epimerase from burkholderia multivorans, target efi-506479, with bound phosphate, closed domains
To be Published
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4KC2
 | | Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate | | Descriptor: | 6-(1-beta-D-Galactopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase soluble form, MANGANESE (II) ION, ... | | Authors: | Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M. | | Deposit date: | 2013-04-24 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate.
Chemistry, 19, 2013
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4KDU
 | | Crystal structure of a glutathione transferase family member from Burkholderia graminis, target efi-507264, no gsh, ordered domains, space group P21, form(1) | | Descriptor: | Glutathione S-transferase domain | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-04-25 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a glutathione transferase family member from Burkholderia graminis, target efi-507264, no gsh, ordered domains, space group P21, form(1)
To be Published
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4KJN
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/V66A/V99T at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2013-05-03 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Cavities in proteins
To be Published
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1VC5
 | | Crystal Structure of the Wild Type Hepatitis Delta Virus Gemonic Ribozyme Precursor, in EDTA solution | | Descriptor: | Hepatitis Delta virus ribozyme, SODIUM ION, U1 small nuclear ribonucleoprotein A | | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | | Deposit date: | 2004-03-04 | | Release date: | 2004-05-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis
NATURE, 429, 2004
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4IVW
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 6b | | Descriptor: | 4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2013-01-23 | | Release date: | 2013-03-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
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4IWF
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Oxime-derivative | | Descriptor: | 2-chloro-3'-fluoro-3-[(E)-(hydroxyimino)methyl]biphenyl-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2013-01-23 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
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4IT1
 | | Crystal structure of enolase pfl01_3283 (target efi-502286) from pseudomonas fluorescens pf0-1 with bound magnesium, potassium and tartrate | | Descriptor: | BICARBONATE ION, L(+)-TARTARIC ACID, MAGNESIUM ION, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-01-17 | | Release date: | 2013-01-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of Enolase Pfl01_3283 from Pseudomonas Fluorescens
To be Published
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1VBZ
 | | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Precursor, with C75U mutaion, in Ba2+ solution | | Descriptor: | BARIUM ION, Hepatitis Delta virus ribozyme, U1 small nuclear ribonucleoprotein A | | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | | Deposit date: | 2004-03-03 | | Release date: | 2004-05-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis
NATURE, 429, 2004
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4IV2
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 5a | | Descriptor: | 4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2013-01-22 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
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4ISD
 | | Crystal structure of GLUTATHIONE TRANSFERASE homolog from BURKHOLDERIA GL BGR1, TARGET EFI-501803, with bound glutathione | | Descriptor: | GLUTATHIONE, Glutathione S-transferase | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-01-16 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of GLUTATHIONE TRANSFERASE homolog from BURKHOLDERIA GL BGR1, TARGET EFI-501803, with bound glutathione
TO BE PUBLISHED
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4IW8
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 9a | | Descriptor: | 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2013-01-23 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.0375 Å) | | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
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4IVF
 | | Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus, target EFI-501753, with two GSH per subunit | | Descriptor: | CITRIC ACID, GLUTATHIONE, Putative uncharacterized protein | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-01-22 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus, target EFI-501753, with two GSH per subunit
To be Published
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4J2F
 | | Crystal structure of a glutathione transferase family member from Ricinus communis, target EFI-501866 | | Descriptor: | GLYCEROL, Glutathione s-transferase | | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2013-02-04 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a glutathione transferase family member from Ricinus communis, target EFI-501866
TO BE PUBLISHED
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1UOU
 | | Crystal structure of human thymidine phosphorylase in complex with a small molecule inhibitor | | Descriptor: | 5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL, THYMIDINE PHOSPHORYLASE | | Authors: | Norman, R.A, Barry, S.T, Bate, M, Breed, J, Colls, J.G, Ernill, R.J, Luke, R.W.A, Minshull, C.A, McAlister, M.S.B, McCall, E.J, McMiken, H.H.J, Paterson, D.S, Timms, D, Tucker, J.A, Pauptit, R.A. | | Deposit date: | 2003-09-23 | | Release date: | 2004-01-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal Structure of Human Thymidine Phosphorylase in Complex with a Small Molecule Inhibitor
Structure, 12, 2004
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4IUI
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY derivative, 4a | | Descriptor: | 4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2013-01-21 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
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1SF2
 | | Structure of E. coli gamma-aminobutyrate aminotransferase | | Descriptor: | 1,2-ETHANEDIOL, 4-aminobutyrate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Liu, W, Peterson, P.E, Carter, R.J, Zhou, X, Langston, J.A, Fisher, A.J, Toney, M.D. | | Deposit date: | 2004-02-19 | | Release date: | 2004-09-14 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of unbound and aminooxyacetate-bound Escherichia coli gamma-aminobutyrate aminotransferase.
Biochemistry, 43, 2004
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4I5I
 | | Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog | | Descriptor: | (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Zhao, X, Allison, D, Condon, B, Zhang, F, Gheyi, T, Zhang, A, Ashok, S, Russell, M, Macewan, I, Qian, Y, Jamison, J.A, Luz, J.G. | | Deposit date: | 2012-11-28 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition.
J.Med.Chem., 56, 2013
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1SL3
 | | crystal structue of Thrombin in complex with a potent P1 heterocycle-Aryl based inhibitor | | Descriptor: | (2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE, Hirudin, thrombin | | Authors: | Young, M.B, Barrow, J.C, Glass, K.L, Lundell, G.F, Newton, C.L, Pellicore, J.M, Rittle, K.E, Selnick, H.G, Stauffer, K.J, Vacca, J.P, Williams, P.D, Bohn, D, Clayton, F.C, Cook, J.J, Krueger, J.A, Kuo, L.C, Lewis, S.D, Lucas, B.J, McMasters, D.R, Miller-Stein, C, Pietrak, B.L. | | Deposit date: | 2004-03-05 | | Release date: | 2004-08-03 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors
J.Med.Chem., 47, 2004
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1SO6
 | | Crystal structure of E112Q/H136A double mutant of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate | | Descriptor: | 3-keto-L-gulonate 6-phosphate decarboxylase, L-THREONOHYDROXAMATE 4-PHOSPHATE, MAGNESIUM ION | | Authors: | Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I. | | Deposit date: | 2004-03-12 | | Release date: | 2004-06-08 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Evolution of Enzymatic Activities in the Orotidine 5'-Monophosphate Decarboxylase Suprafamily: Crystallographic Evidence for a Proton Relay System in the Active Site of 3-Keto-l-gulonate 6-Phosphate Decarboxylase(,)
Biochemistry, 43, 2004
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4HMK
 | | Crystal structure of LeuT-E290S with bound Br | | Descriptor: | BROMIDE ION, LEUCINE, SODIUM ION, ... | | Authors: | Kantcheva, A.K, Quick, M, Shi, L, Winther, A.M.L, Stolzenberg, S, Weinstein, H, Javitch, J.A, Nissen, P. | | Deposit date: | 2012-10-18 | | Release date: | 2013-05-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The chloride binding site of Neurotransmitter Sodium Symporters
Proc.Natl.Acad.Sci.USA, 2013
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1SOS
 | | ATOMIC STRUCTURES OF WILD-TYPE AND THERMOSTABLE MUTANT RECOMBINANT HUMAN CU, ZN SUPEROXIDE DISMUTASE | | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE, ... | | Authors: | Parge, H.E, Hallewell, R.A, Tainer, J.A. | | Deposit date: | 1992-02-11 | | Release date: | 1993-04-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Atomic structures of wild-type and thermostable mutant recombinant human Cu,Zn superoxide dismutase.
Proc.Natl.Acad.Sci.USA, 89, 1992
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1SJA
 | | X-ray structure of o-Succinylbenzoate Synthase complexed with N-acetylmethionine | | Descriptor: | MAGNESIUM ION, N-ACETYLMETHIONINE, N-acylamino acid racemase | | Authors: | Thoden, J.B, Taylor-Ringia, E.A, Garrett, J.B, Gerlt, J.A, Holden, H.M, Rayment, I. | | Deposit date: | 2004-03-03 | | Release date: | 2004-06-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evolution of Enzymatic Activity in the Enolase Superfamily: Structural Studies of the Promiscuous o-Succinylbenzoate Synthase from Amycolatopsis
Biochemistry, 43, 2004
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1SO3
 | | Crystal structure of H136A mutant of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate | | Descriptor: | 3-keto-L-gulonate 6-phosphate decarboxylase, L-THREONOHYDROXAMATE 4-PHOSPHATE, MAGNESIUM ION | | Authors: | Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I. | | Deposit date: | 2004-03-12 | | Release date: | 2004-06-08 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Evolution of Enzymatic Activities in the Orotidine 5'-Monophosphate Decarboxylase Suprafamily: Crystallographic Evidence for a Proton Relay System in the Active Site of 3-Keto-l-gulonate 6-Phosphate Decarboxylase(,)
Biochemistry, 43, 2004
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1UXL
 | | I113T mutant of human SOD1 | | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | | Authors: | Hough, M.A, Grossmann, J.G, Antonyuk, S.V, Strange, R.W, Doucette, P.A, Rodriguez, J.A, Whitson, L.J, Hart, P.J, Hayward, L.J, Valentine, J.S, Hasnain, S.S. | | Deposit date: | 2004-02-25 | | Release date: | 2004-03-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Dimer Destabilization in Superoxide Dismutase May Result in Disease-Causing Properties: Structures of Motor Neuron Disease Mutants
Proc.Natl.Acad.Sci.USA, 101, 2004
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