4HG7
| Crystal Structure of an MDM2/Nutlin-3a complex | Descriptor: | 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Noble, M.E.M, Anil, B, Riedinger, C, Endicott, J.A. | Deposit date: | 2012-10-07 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structure of an MDM2-Nutlin-3a complex solved by the use of a validated MDM2 surface-entropy reduction mutant. Acta Crystallogr.,Sect.D, 69, 2013
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4GVX
| Crystal structure of a short chain dehydrogenase homolog (target EFI-505321) from burkholderia multivorans, with bound NADP and L-fucose | Descriptor: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier protein] reductase, CHLORIDE ION, ... | Authors: | Vetting, M.W, Hobbs, M.E, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-08-31 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Crystal structure of a short chain dehydrogenase homolog (target EFI-505321) from burkholderia multivorans, with bound NADP and L-fucose To be Published
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4ICC
| Crystal structure of human AKR1B10 complexed with NADP+ and JF0064 | Descriptor: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. | Deposit date: | 2012-12-10 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design. Acta Crystallogr.,Sect.D, 70, 2014
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4ID0
| Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target EFI-900011, with bound glutathione sulfinic acid (gso2h) and acetate | Descriptor: | ACETATE ION, GLYCEROL, Glutathione S-transferase-like protein YibF, ... | Authors: | Vetting, M.W, Sauder, J.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Burley, S.K, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-12-11 | Release date: | 2012-12-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target EFI-900011, with bound glutathione sulfinic acid (gso2h) and acetate To be Published
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4IEL
| Crystal structure of a glutathione s-transferase family protein from burkholderia ambifaria, target efi-507141, with bound glutathione | Descriptor: | GLUTATHIONE, Glutathione S-transferase, N-terminal domain protein, ... | 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, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-12-13 | Release date: | 2012-12-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a glutathione s-transferase family protein from burkholderia ambifaria, target efi-507141, with bound glutathione To be Published
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6GIL
| NMR structure of temporin B in SDS micelles | Descriptor: | Temporin-B | Authors: | Manzo, G, Mason, J.A. | Deposit date: | 2018-05-12 | Release date: | 2018-06-13 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Minor sequence modifications in temporin B cause drastic changes in antibacterial potency and selectivity by fundamentally altering membrane activity. Sci Rep, 9, 2019
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6GS5
| NMR structure of temporin L in SDS micelles | Descriptor: | Temporin-L | Authors: | Manzo, G, Mason, J.A. | Deposit date: | 2018-06-13 | Release date: | 2018-07-18 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Temporin L and aurein 2.5 have identical conformations but subtly distinct membrane and antibacterial activities. Sci Rep, 9, 2019
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6GS9
| NMR structure of aurein 2.5 in SDS micelles | Descriptor: | Aurein 2.5 | Authors: | Manzo, G, Mason, J.A. | Deposit date: | 2018-06-13 | Release date: | 2018-07-18 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Temporin L and aurein 2.5 have identical conformations but subtly distinct membrane and antibacterial activities. Sci Rep, 9, 2019
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6GIJ
| NMR structure of temporin B KKG6A in SDS micelles | Descriptor: | temporinB_KKG6A | Authors: | Manzo, G, Mason, J.A. | Deposit date: | 2018-05-12 | Release date: | 2018-06-13 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Minor sequence modifications in temporin B cause drastic changes in antibacterial potency and selectivity by fundamentally altering membrane activity. Sci Rep, 9, 2019
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4GYP
| Crystal structure of the heterotetrameric complex of GlucD and GlucDRP from E. coli K-12 MG1655 (EFI TARGET EFI-506058) | Descriptor: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Lukk, T, Ghasempur, S, Imker, H.J, Gerlt, J.A, Nair, S.K, Enzyme Function Initiative (EFI) | Deposit date: | 2012-09-05 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Glucarate dehydratase and its related protein from Escherichia coli form a heterotetrameric complex. to be published
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4G4M
| Crystal structure of the de novo designed fluorinated peptide alpha4F3(6-13) | Descriptor: | 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, alpha4F3(6-13) | Authors: | Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2012-07-16 | Release date: | 2012-10-31 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Comparison of the structures and stabilities of coiled-coil proteins containing hexafluoroleucine and t-butylalanine provides insight into the stabilizing effects of highly fluorinated amino acid side-chains. Protein Sci., 21, 2012
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4G3B
| Crystal structure of the de novo designed fluorinated peptide alpha4F3d | Descriptor: | ACETYL GROUP, alpha4F3d | Authors: | Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2012-07-13 | Release date: | 2012-10-31 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Comparison of the structures and stabilities of coiled-coil proteins containing hexafluoroleucine and t-butylalanine provides insight into the stabilizing effects of highly fluorinated amino acid side-chains. Protein Sci., 21, 2012
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4GAY
| Structure of the broadly neutralizing antibody AP33 | Descriptor: | NEUTRALIZING ANTIBODY AP33 HEAVY CHAIN, NEUTRALIZING ANTIBODY AP33 LIGHT CHAIN, TRIETHYLENE GLYCOL | Authors: | Potter, J.A, Owsianka, A, Jeffery, N, Matthews, D, Keck, Z, Lau, P, Foung, S.K.H, Taylor, G.L, Patel, A.H. | Deposit date: | 2012-07-26 | Release date: | 2012-10-10 | Last modified: | 2012-11-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Toward a Hepatitis C Virus Vaccine: the Structural Basis of Hepatitis C Virus Neutralization by AP33, a Broadly Neutralizing Antibody. J.Virol., 86, 2012
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4G8R
| Crystal Structure of a novel small molecule inactivator bound to plasminogen activator inhibitor-1 | Descriptor: | (2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate), Plasminogen activator inhibitor-1, SULFATE ION | Authors: | Stuckey, J.A, Lawrence, D.A, Li, S.-H. | Deposit date: | 2012-07-23 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Mechanistic characterization and crystal structure of a small molecule inactivator bound to plasminogen activator inhibitor-1. Proc.Natl.Acad.Sci.USA, 110, 2013
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4G9H
| Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target EFI-501894, with bound glutathione | Descriptor: | GLUTATHIONE, GLYCEROL, 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: | 2012-07-23 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target efi-501894, with bound glutathione To be Published
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4GF0
| Crystal structure of glutahtione transferase homolog from sulfitobacter, TARGET EFI-501084, with bound glutathione | Descriptor: | CHLORIDE ION, 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: | 2012-08-02 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of glutahtione transferase homolog from sulfitobacter, TARGET EFI-501084, with bound glutathione To be Published
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4GC4
| Crystal structure of the mutant R160A.R203A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2012-07-29 | Release date: | 2013-06-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4204 Å) | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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4FSJ
| Crystal structure of the virus like particle of Flock House virus | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Speir, J.A, Chen, Z, Reddy, V.S, Johnson, J.E. | Deposit date: | 2012-06-27 | Release date: | 2012-08-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural study of virus assembly intermediates reveals maturation event sequence and a staging position for externalized lytic peptides to be published, 2012
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4FT3
| Crystal Structure of the CHK1 | Descriptor: | 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. | Deposit date: | 2012-06-27 | Release date: | 2012-08-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the CHK1 To be Published
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4FV5
| Crystal Structure of the ERK2 complexed with EK9 | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ... | Authors: | Kang, Y.N, Stuckey, J.A, Xie, X. | Deposit date: | 2012-06-29 | Release date: | 2012-08-29 | Last modified: | 2014-09-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the ERK2 complexed with EK9 TO BE PUBLISHED
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4FSM
| Crystal Structure of the CHK1 | Descriptor: | 4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. | Deposit date: | 2012-06-27 | Release date: | 2012-08-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of the CHK1 To be Published
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4FT9
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4FTK
| Crystal Structure of the CHK1 | Descriptor: | 3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol, ISOPROPYL ALCOHOL, SULFATE ION, ... | Authors: | Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. | Deposit date: | 2012-06-27 | Release date: | 2012-08-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of the CHK1 To be Published
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4FV8
| Crystal Structure of the ERK2 complexed with E63 | Descriptor: | 1,2-ETHANEDIOL, 6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one, Mitogen-activated protein kinase 1, ... | Authors: | Kang, Y.N, Stuckey, J.A, Xie, X. | Deposit date: | 2012-06-29 | Release date: | 2012-08-29 | Last modified: | 2014-09-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the ERK2 complexed with E63 TO BE PUBLISHED
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4FXR
| Crystal structure of the mutant T159V.R203A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2012-07-03 | Release date: | 2013-05-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.708 Å) | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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