4FTM
| Crystal Structure of the CHK1 | Descriptor: | 4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol, 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 (1.9 Å) | Cite: | Crystal Structure of the CHK1 To be Published
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4FU9
| Crystal Structure of the Urokinase | Descriptor: | 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE, ACETATE ION, GLYCEROL, ... | Authors: | Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V. | Deposit date: | 2012-06-28 | Release date: | 2012-08-22 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the Urokinase To be Published
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4FV0
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4FST
| Crystal Structure of the CHK1 | Descriptor: | 4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol, 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 (1.9 Å) | Cite: | Crystal Structure of the CHK1 To be Published
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4FUF
| Crystal Structure of the Urokinase | Descriptor: | 8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ... | Authors: | Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V. | Deposit date: | 2012-06-28 | Release date: | 2012-08-22 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Urokinase to be published
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4FW4
| Crystal Structure of the LpxC in complex with N-[(1S,2R)-2-HYDROXY-1-(HYDROXYCARBAMOYL)PROPYL]-4-(4-PHENYLBUTA-1,3-DIYN-1-YL)BENZAMIDE inhibitor | Descriptor: | ACETATE ION, GLYCEROL, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, ... | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2012-06-29 | Release date: | 2013-05-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal Structure of the LpxC to be published
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4FX3
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4G6P
| Minimal Hairpin Ribozyme in the Precatalytic State with A38P Variation | Descriptor: | COBALT HEXAMMINE(III), Loop A Substrate strand, Loop A and Loop B Ribozyme strand, ... | Authors: | Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E. | Deposit date: | 2012-07-19 | Release date: | 2012-08-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.641 Å) | Cite: | A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis. J.Am.Chem.Soc., 134, 2012
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4G6S
| Minimal Hairpin Ribozyme in the Transition State with A38P Variation | Descriptor: | COBALT HEXAMMINE(III), Loop A Substrate strand, Loop A and Loop B Ribozyme strand, ... | Authors: | Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E. | Deposit date: | 2012-07-19 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis. J.Am.Chem.Soc., 134, 2012
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4G4L
| Crystal structure of the de novo designed peptide alpha4tbA6 | Descriptor: | ACETYL GROUP, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ... | 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 (1.54 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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4G81
| Crystal structure of a hexonate dehydrogenase ortholog (target efi-506402 from salmonella enterica, unliganded structure | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Vetting, M.W, Wichelecki, D, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-07-20 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a hexonate dehydrogenase ortholog (target efi-506402 from salmonella enterica, unliganded structure To be Published
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4G8O
| 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), 1,2-ETHANEDIOL, Plasminogen activator inhibitor 1, ... | 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 (2.71 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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4FT7
| Crystal Structure of the CHK1 | Descriptor: | 1-{5-bromo-2-[(3R)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea, 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 (2.2 Å) | Cite: | Crystal Structure of the CHK1 To be Published
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4FTJ
| Crystal Structure of the CHK1 | Descriptor: | ISOPROPYL ALCOHOL, SULFATE ION, Serine/threonine-protein kinase Chk1, ... | 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 (2.2 Å) | Cite: | Crystal Structure of the CHK1 To be Published
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4FTS
| Crystal structure of the N363T mutant of the Flock House virus capsid | 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: | 2012-06-28 | Release date: | 2012-08-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.2 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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4GBP
| Crystal Structure of BBBB+UDP+Gal at pH 10 with MPD as the cryoprotectant | Descriptor: | Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | Authors: | Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V. | Deposit date: | 2012-07-27 | Release date: | 2013-12-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state. Glycobiology, 24, 2014
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4G9B
| Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid | Descriptor: | Beta-phosphoglucomutase, CHLORIDE ION, GLYCEROL, ... | 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, Dunaway-Mariano, D, Allen, K.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 (1.7 Å) | Cite: | Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid To be Published
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4GA9
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4FSW
| Crystal Structure of the CHK1 | Descriptor: | 8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, 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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4FTL
| Crystal Structure of the CHK1 | Descriptor: | 4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-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 (2.5 Å) | Cite: | Crystal Structure of the CHK1 To be Published
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4FTU
| Crystal Structure of the CHK1 | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, SULFATE ION, ... | Authors: | Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. | Deposit date: | 2012-06-28 | Release date: | 2012-08-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the CHK1 To be Published
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4FUC
| Crystal Structure of the Urokinase | Descriptor: | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE, ACETATE ION, GLYCEROL, ... | Authors: | Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V. | Deposit date: | 2012-06-28 | Release date: | 2012-08-22 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal Structure of the Urokinase to be published
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4FV6
| Crystal Structure of the ERK2 complexed with E57 | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-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: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the ERK2 complexed with E57 TO BE PUBLISHED
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4GIR
| Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, ethylene glycol and sulfate bound (ordered loops, space group P41212) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Enolase, ... | 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, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-08-08 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, ethylene glycol and sulfate bound (ordered loops, space group P41212) To be Published
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4GME
| Crystal structure of mannonate dehydratase (target EFI-502209) from caulobacter crescentus cb15 complexed with magnesium and d-mannonate | Descriptor: | CARBONATE ION, CHLORIDE ION, D-MANNONIC ACID, ... | 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, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-08-15 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Mannonate Dehydratase from Caulobacter Crescentus Cb15 To be Published
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